#DEFINITION	Reference Metabolome for Gardenia jasminoides
#IDENTTFIER	RefMeta-Gardenia jasminoides.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Gardenia jasminoides
#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 Gardenia jasminoides 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	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42802	0.5
69.43210	0.1
71.01385	0.8
72.83563	0.1
72.99314	0.2
75.00871	1.2
83.01400	0.3
85.02953	1.7
87.00880	2.3
89.02442	0.1
93.03462	0.1
95.01351	0.1
96.96003	0.4
98.19875	0.1
99.00889	0.3
100.07234	0.1
101.02481	0.1
111.00882	100.0
112.01213	0.8
113.02444	0.9
113.36270	0.1
115.00343	0.1
116.01180	0.1
129.01936	0.1
135.04544	0.3
154.99866	0.2
157.01427	0.1
173.00906	16.4
174.01225	0.1
175.02458	0.1
191.05579	0.6
192.51764	0.1
199.11700	0.1
253.56252	0.1
299.97156	0.1
351.19623	0.1
417.85083	0.1
437.30743	0.1
439.32169	0.3
487.34229	0.7
581.64026	0.1
601.37579	0.4
619.37994	0.2
663.37616	0.3
825.42798	13.2
826.43250	1.0
999.44934	1.5
1000.43927	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	999.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.6
71.56078	0.1
72.99326	0.2
73.02953	0.1
75.00877	1.2
79.95738	0.2
81.73698	0.1
81.95335	0.1
82.61707	0.1
83.01401	0.3
85.02956	1.3
87.00882	2.4
89.02448	0.2
93.03477	0.2
95.01380	0.1
96.96022	3.3
97.95955	0.1
98.95599	0.9
98.96354	0.1
99.00866	0.4
99.04527	0.2
101.02470	0.2
111.00889	100.0
112.01215	0.8
113.02460	0.6
115.00435	0.1
116.92854	0.1
117.39709	0.1
125.02444	0.1
134.03764	0.1
135.04503	0.2
150.91745	0.1
154.99896	0.2
157.01347	0.1
161.02446	0.1
173.00920	15.6
174.01262	0.2
188.56012	0.1
191.01976	0.1
191.05611	1.4
192.06020	0.1
209.11867	0.2
227.03653	0.1
228.04346	0.1
396.21777	0.1
449.14203	0.1
460.52963	0.1
469.33075	0.1
487.34586	0.3
529.35065	0.2
601.37646	0.8
619.38123	0.4
663.37122	0.3
727.75244	0.1
817.35852	0.1
825.42816	13.0
826.43268	1.2
843.79279	0.1
867.44415	0.2
955.48669	0.3
956.49146	0.2
957.49414	0.1
959.84668	0.1
964.14105	0.1
999.44800	1.9
1000.44501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86194	0.1
71.01389	0.1
72.99329	0.1
75.00877	0.5
82.91674	0.1
83.01393	0.3
85.02955	0.7
87.00880	2.0
93.03481	0.1
94.32816	0.1
95.01393	0.1
95.03540	0.1
96.96021	0.1
101.02496	0.1
106.05308	0.1
111.00884	100.0
112.01215	1.0
113.02427	0.3
129.01939	0.1
130.99870	0.1
154.99850	0.3
169.17897	0.1
173.00908	18.6
174.01239	0.2
191.05634	0.1
212.86163	0.1
418.32425	0.1
825.42737	0.9
867.44427	0.1
999.44379	1.9
1000.43860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99808	1.0
69.03448	1.0
71.01381	8.4
72.99300	1.0
73.02946	2.7
75.00874	10.0
83.01406	1.4
85.02448	0.6
85.02953	9.8
85.03466	0.6
87.00874	0.9
87.04521	0.3
89.02449	1.3
92.51509	0.2
93.03442	0.8
95.01366	1.4
96.96017	2.2
99.00880	9.9
99.04528	0.3
101.02454	1.8
103.04049	0.4
109.02953	0.4
111.00861	1.4
111.04519	0.4
112.01662	0.6
113.02456	5.2
115.00339	0.5
129.01895	0.3
132.47057	0.3
135.04524	0.5
157.01393	0.8
161.02438	0.3
173.04543	0.4
182.54713	0.3
191.05611	2.7
407.33139	1.0
425.34406	0.5
449.14774	0.6
449.89441	0.3
471.34882	0.4
523.76050	0.3
539.36761	0.3
585.37964	0.6
629.36945	0.6
671.90222	0.3
731.43280	1.4
749.45282	0.9
793.44135	3.8
794.44086	0.5
955.49072	100.0
956.49249	13.3
991.34497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6744
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23099	2.6
69.23524	1.3
71.01385	0.8
78.62567	0.4
78.95878	0.5
79.95737	1.3
93.03488	0.6
96.96009	13.0
112.96329	0.4
167.35310	0.4
168.84792	0.6
173.04605	0.4
191.05698	0.9
209.11758	1.0
225.11351	0.4
239.71449	0.4
268.63974	0.4
457.33087	1.8
459.28778	0.7
461.30499	1.4
469.33267	3.5
487.34262	85.3
488.34656	6.3
491.31158	0.7
505.29434	1.3
509.32172	0.8
535.29883	0.6
553.31378	0.7
623.99097	0.5
954.40320	0.5
997.67493	100.0
998.67731	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	999.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.5
72.99297	0.2
73.02954	0.1
75.00879	1.3
79.95705	0.1
83.01391	0.3
85.02960	1.3
87.00880	2.3
89.02443	0.1
93.03465	0.2
95.01385	0.1
95.62487	0.1
96.96010	1.3
98.95570	0.2
99.00881	0.3
101.02435	0.2
103.94585	0.1
111.00885	100.0
112.01212	0.8
113.02451	0.6
115.00381	0.1
116.60212	0.1
117.01944	0.1
129.02002	0.1
129.91417	0.1
135.04532	0.2
137.29300	0.1
138.03426	0.1
150.03232	0.1
154.99925	0.3
157.01433	0.1
161.02368	0.1
161.04553	0.1
167.17940	0.1
173.00909	15.7
174.01198	0.1
175.02521	0.1
191.01913	0.1
191.05583	0.7
192.05905	0.1
209.11720	0.1
246.05702	0.1
248.95537	0.1
263.12045	0.1
352.08176	0.1
469.33600	0.1
478.38284	0.1
487.34332	0.3
529.35730	0.2
601.37616	0.9
619.38617	0.4
645.36414	0.1
663.37726	0.2
793.43494	0.1
825.42822	12.7
826.43011	0.8
922.74561	0.1
955.49646	0.1
956.49390	0.1
999.44598	2.0
1000.44312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00304	0.2
75.00873	0.6
77.27610	0.1
78.39220	0.1
83.01394	0.2
85.02943	0.7
87.00875	2.1
111.00879	100.0
112.01220	1.2
113.02422	0.1
129.85652	0.1
154.99863	0.2
160.85347	0.1
162.77075	0.1
165.35632	0.1
173.00899	18.3
174.01247	0.3
191.49629	0.1
629.03015	0.1
809.42908	0.5
983.44714	2.3
984.45001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55884	0.2
71.01405	0.1
75.00896	0.5
83.01392	0.2
85.02966	0.8
87.00879	1.5
104.56268	0.1
111.00883	100.0
112.01215	1.4
113.02447	0.2
123.77934	0.1
129.01965	0.1
154.99866	0.3
173.00908	14.2
174.01234	0.3
191.02019	0.5
349.04190	0.1
434.27127	0.1
565.61853	0.1
809.43481	0.5
947.88977	0.1
983.44489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99844	0.2
71.01383	0.7
74.67736	0.1
75.00872	0.6
79.95709	0.2
80.96460	0.2
83.01407	0.2
85.02962	1.6
87.00884	2.7
93.03465	2.8
94.03801	0.2
96.96011	3.0
99.00864	0.4
99.04515	0.2
101.02435	0.5
111.00884	100.0
112.01226	2.9
113.01322	0.5
113.02465	0.5
119.04961	0.2
125.02410	0.2
133.01430	0.2
134.03752	0.3
135.04514	0.5
137.02444	0.5
154.99829	0.5
161.02446	0.2
173.00914	19.6
173.04410	1.3
174.01263	0.6
179.03488	0.2
191.05612	3.4
449.14526	2.6
633.40668	0.2
682.05139	0.2
811.45184	0.5
823.40991	0.4
941.32617	0.2
955.50079	0.6
956.50421	0.4
971.49335	0.2
985.47656	2.9
986.47949	0.3
1006.94244	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.449
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01404	0.1
72.99320	0.1
75.00881	0.5
83.01395	0.2
85.02960	0.9
87.00877	1.6
96.96013	0.1
98.04189	0.1
98.20669	0.1
99.00866	0.1
101.02448	0.1
111.00882	100.0
112.01216	1.0
113.02433	0.2
129.01941	0.1
154.99854	0.2
173.00905	14.5
174.01247	0.2
191.02007	0.8
191.05534	0.1
201.55023	0.0
349.04080	0.1
409.49216	0.1
809.43225	0.8
908.26697	0.1
983.44824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02229	0.0
69.38858	0.1
69.39288	0.1
71.01391	0.1
72.99314	0.1
75.00874	0.5
79.95717	0.0
83.01403	0.2
85.02958	1.0
87.00880	1.6
93.03468	0.3
95.01386	0.1
96.96030	0.3
99.00849	0.1
101.02458	0.1
109.02991	0.1
111.00883	100.0
112.01212	1.2
113.02441	0.1
115.00421	0.0
129.01952	0.1
130.99701	0.0
133.02972	0.0
135.04524	0.2
137.02531	0.1
154.99860	0.3
161.02467	0.1
173.00906	14.8
174.01276	0.2
177.01965	0.1
179.03470	0.1
191.01974	0.6
191.05603	0.5
192.05965	0.1
201.56311	0.0
237.43332	0.0
238.79570	0.0
267.06931	0.0
301.03366	0.1
349.04156	0.1
353.09006	0.0
449.14471	0.1
585.37817	0.1
647.38098	0.1
809.43262	0.5
810.43616	0.1
983.45264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	0.1
69.03436	0.1
69.20144	0.3
69.20571	0.2
71.01389	1.3
72.99310	0.3
73.02931	0.1
75.00869	1.4
76.00816	0.1
80.10537	0.1
83.01382	0.4
85.02951	2.5
87.00877	2.3
89.02443	0.3
90.00366	0.1
91.53533	0.1
93.03473	0.2
95.01392	0.2
96.96009	0.7
98.20600	0.1
98.95602	0.1
99.00859	0.5
101.02461	0.2
103.00365	0.1
111.00882	100.0
112.01206	1.1
113.02438	1.6
115.00424	0.1
117.01949	0.1
129.01909	0.3
133.03004	0.1
134.03796	0.1
135.04527	0.2
154.99855	0.2
157.01376	0.1
161.13365	0.5
165.31485	0.1
173.00905	15.8
174.01208	0.3
175.02397	0.1
179.03398	0.1
187.11255	0.3
191.01945	0.8
191.05589	0.5
205.07175	0.1
205.12297	0.3
207.04915	0.1
241.56279	0.1
249.06082	0.3
267.04639	0.1
267.07196	1.0
349.04279	0.1
352.07999	0.1
377.78802	0.1
413.07953	0.1
449.14178	0.1
471.34961	0.3
474.35992	0.1
481.16962	0.1
603.39142	0.1
647.38031	0.2
700.46124	0.1
809.43256	5.9
810.43695	0.6
870.59271	0.1
983.42200	3.9
984.42676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82483	0.1
71.01381	0.3
72.99293	0.1
75.00880	0.9
83.01399	0.2
85.02962	1.0
87.00877	1.9
93.03498	0.1
95.01389	0.1
96.96062	0.1
99.00873	0.2
101.02500	0.1
111.00883	100.0
112.01218	1.3
113.02445	0.7
129.02002	0.1
154.99823	0.2
173.00908	17.2
174.01253	0.3
184.84138	0.1
200.17336	0.1
281.76563	0.1
304.45187	0.1
471.34875	0.2
554.64532	0.1
585.37964	0.1
599.53442	0.1
647.37671	0.1
648.37830	0.1
809.43286	5.7
810.43182	0.6
983.44702	1.5
984.45844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16547	0.1
71.01385	0.1
75.00877	0.5
83.01395	0.2
85.02956	0.5
87.00883	2.3
93.03481	0.2
96.14297	0.1
96.96040	0.2
111.00885	100.0
112.01230	1.1
113.02419	0.1
114.16054	0.1
153.27946	0.1
154.99850	0.4
161.63860	0.1
168.93036	0.1
173.00908	17.6
174.01170	0.2
191.05565	0.3
229.09956	0.1
276.25027	0.1
323.31552	0.1
378.45566	0.1
585.37628	0.1
740.85992	0.1
809.43579	0.7
851.44238	0.2
983.45251	1.9
984.45111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.9
71.55526	0.3
83.05048	0.4
85.02955	8.5
85.05737	0.3
87.00883	1.9
93.03463	4.9
96.96029	1.4
99.04504	0.5
101.02416	0.3
107.01347	0.3
108.02179	0.4
109.02944	1.1
110.87285	0.3
111.00877	2.3
111.04529	1.2
113.02431	0.4
118.43266	0.3
122.47603	0.3
123.04566	0.5
127.04025	2.0
133.02922	0.3
135.04503	1.2
137.02457	0.8
140.85271	0.4
146.04562	0.3
151.00340	0.5
155.03502	0.5
159.04449	0.4
161.02440	0.9
161.04504	0.7
161.39697	0.3
163.00334	0.3
163.03983	0.4
167.37157	0.3
171.02895	0.6
172.05327	1.7
173.04588	2.6
179.03456	0.5
183.04517	0.6
187.07645	12.6
188.08046	0.4
191.05614	100.0
192.05971	1.3
192.33228	0.3
199.03983	1.4
200.04744	0.7
211.03973	0.6
213.09212	1.4
215.07159	2.2
227.03511	4.8
228.04224	2.0
229.05016	1.6
229.08693	0.7
231.10233	1.1
255.02985	7.9
256.03641	0.8
257.04318	0.5
257.08191	12.4
258.08557	0.7
271.02496	0.6
275.09296	1.5
284.03265	12.7
285.04034	12.7
286.04355	0.4
295.05920	0.3
300.02725	0.8
301.03513	0.4
304.58258	0.3
449.14526	36.8
450.14877	1.6
489.10373	17.6
490.10663	1.7
491.11447	0.4
497.13214	0.6
498.13660	0.3
748.44055	0.3
983.27618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55930	0.4
82.88592	0.3
83.01384	0.4
85.02940	0.7
86.56079	0.3
89.03976	0.5
91.01893	2.8
93.03461	1.7
96.96023	0.5
96.99320	3.3
102.11855	0.3
107.01386	0.6
108.02142	0.6
109.02940	2.9
111.00902	0.6
115.45404	0.3
117.03453	1.1
120.29773	0.3
121.02969	0.8
123.04537	5.2
132.02187	0.4
132.90323	0.4
133.02925	0.7
134.03738	14.7
135.00934	0.6
135.04518	0.5
136.05209	0.3
137.02443	1.0
143.04935	0.3
145.02962	2.2
146.03735	6.9
147.04524	2.8
148.01653	0.5
148.05325	0.4
149.06071	1.4
150.03314	0.4
151.00385	1.1
153.01955	0.4
153.05507	0.5
158.03714	5.3
159.04520	11.2
160.01582	0.7
160.05209	0.4
161.02420	0.4
161.06053	2.4
163.00368	1.0
163.03999	1.2
165.37299	0.3
169.06479	0.4
171.04422	0.5
173.02533	0.3
173.04601	0.7
173.06047	5.0
174.03188	0.5
175.03969	0.9
178.02702	1.6
179.03339	0.3
185.06018	1.1
187.03998	1.9
189.05536	0.7
191.05611	5.3
193.05038	6.7
198.03123	0.3
199.03944	0.4
201.05544	0.4
211.03981	0.9
213.05591	1.0
227.03493	11.7
228.04105	0.3
229.05040	4.9
239.03462	0.9
239.07104	0.6
241.05014	1.9
249.05663	0.4
250.06262	0.7
251.07007	0.3
255.02977	21.4
256.03665	2.0
256.07333	0.8
257.04556	2.8
265.05127	0.4
265.08588	0.5
266.05804	2.9
267.03043	0.6
267.06580	3.4
268.07349	1.0
269.08286	0.8
271.09793	1.2
277.05057	0.6
280.07263	0.4
281.08176	7.8
282.08936	2.9
283.02454	0.3
283.09747	2.3
284.03253	32.1
284.09946	1.4
285.04031	41.5
286.04373	1.7
293.08160	0.5
295.06116	7.6
295.09509	0.5
297.11105	0.6
309.07709	1.1
310.08493	8.8
311.08896	0.6
325.10770	6.4
326.10675	0.3
327.05017	0.6
343.11887	0.7
354.07312	1.7
369.09781	2.9
387.10840	100.0
388.11215	5.0
447.09595	0.5
593.15088	88.6
594.15369	5.7
788.35162	0.3
939.04089	0.3
949.27789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99823	1.3
69.03464	0.8
71.01389	15.1
72.99322	2.6
73.02965	2.3
75.00463	0.9
75.00878	14.7
83.01384	1.8
85.02446	0.8
85.02957	12.9
86.00095	0.9
87.00890	5.4
87.04528	0.8
89.02462	2.0
93.03439	1.2
95.01395	1.9
96.96039	2.1
99.00890	17.4
101.02431	2.2
103.04011	0.9
111.00891	20.6
112.01170	2.2
113.01294	0.8
113.01678	0.5
113.02464	9.6
115.00394	1.1
115.04012	0.6
129.02032	0.4
131.03508	1.3
135.04471	0.8
143.03476	0.8
157.01407	1.1
160.64369	0.4
173.00966	2.8
173.04527	1.1
174.01219	0.6
175.04102	0.6
191.05603	5.2
205.39789	0.4
211.80849	0.4
233.06618	0.6
259.08228	0.8
322.56598	0.5
437.30734	0.7
439.32184	4.9
469.32999	0.7
487.34412	5.9
601.37714	1.9
619.38403	0.9
645.36627	2.1
660.77167	0.5
675.41461	0.7
747.43427	3.3
765.44678	1.2
809.43317	1.5
953.47833	0.5
955.49109	0.6
956.49463	1.0
957.49158	0.8
958.49554	1.0
971.48676	100.0
972.48840	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	975.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	0.8
69.03445	0.5
71.01389	5.6
72.99306	1.2
73.02940	1.2
75.00878	10.7
83.01393	0.9
85.02953	5.4
87.00886	0.6
89.02435	0.9
95.01387	1.0
96.95985	0.6
99.00256	0.5
99.00887	8.9
101.02444	0.7
103.03971	0.6
106.51122	0.2
110.21246	0.3
111.00928	1.5
113.02448	2.4
115.00388	0.4
119.03466	0.3
133.11798	0.3
139.00400	0.3
157.01405	0.9
178.70044	0.3
191.05638	1.0
229.78812	0.3
340.66751	0.3
420.81848	0.4
423.32480	0.4
453.33765	0.4
455.35339	3.2
497.36414	0.7
513.67859	0.3
523.38055	0.9
569.38507	3.4
570.38611	0.4
583.39618	0.4
587.39362	0.4
613.37604	2.4
643.42145	1.4
715.44250	6.4
716.44604	0.4
733.45593	1.3
777.44446	5.3
778.44403	0.5
939.49622	100.0
940.49884	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	971.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	1.1
69.03452	0.7
71.01380	16.8
71.12000	0.6
72.99308	2.4
73.02946	2.2
75.00872	12.4
75.56953	0.2
81.03439	0.5
83.01373	1.8
85.02952	12.4
86.00086	0.8
87.00874	5.4
87.04511	0.5
89.02440	3.0
93.03474	1.3
95.01379	2.7
96.96001	1.1
99.00879	15.9
99.04499	0.4
100.01221	0.3
101.02441	3.2
103.03990	0.5
111.00878	17.2
111.04489	0.3
112.01161	1.5
113.01260	0.4
113.02446	8.0
115.00370	0.7
115.03983	0.3
119.03484	0.5
127.03987	0.4
131.03484	1.0
135.04489	0.5
139.00398	0.3
143.03546	0.7
157.01411	1.2
161.02316	0.3
161.04509	0.4
173.00909	2.8
173.04526	1.0
179.03523	0.4
184.65916	0.3
191.05600	2.5
209.11952	0.3
233.06636	0.5
254.98109	0.2
259.08118	0.3
263.07687	0.3
421.31262	0.3
423.33246	0.3
437.30484	0.6
439.32098	3.2
449.14493	0.8
469.33252	0.6
487.34244	5.1
488.34409	0.3
513.24304	0.3
601.37390	1.4
619.38678	0.5
645.36450	2.0
675.40619	0.6
747.42938	2.5
765.44434	1.6
809.43359	3.0
810.42212	0.3
953.47754	0.4
971.48523	100.0
972.48865	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	971.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	1.3
69.03459	0.8
71.01386	22.2
71.56108	0.5
72.99305	2.5
73.02949	3.6
75.00462	0.6
75.00881	11.9
75.80615	0.3
77.42119	0.3
83.01390	2.3
83.39533	0.5
84.02194	0.4
85.02956	17.2
86.00089	0.7
87.00886	3.5
89.02448	12.7
93.03467	3.8
95.01397	2.8
96.96020	3.4
99.00884	16.7
99.04539	0.3
101.02446	7.1
103.04034	0.7
108.02171	0.7
109.02950	1.4
111.00887	9.2
111.04494	0.4
112.01643	0.4
113.02457	12.4
114.67204	0.4
115.00391	0.6
116.92864	4.2
119.03512	5.0
119.05002	2.3
119.39450	0.4
121.02969	1.9
122.03739	3.7
123.04546	0.4
125.02410	0.5
127.03913	0.4
131.03502	0.6
133.01471	0.4
133.02951	1.0
134.03741	1.4
135.04510	2.0
136.01682	5.5
137.02454	2.3
139.04074	0.5
143.03496	1.2
145.02957	1.8
146.03729	1.7
149.02448	6.3
149.04533	0.5
149.06046	1.0
150.03230	18.0
151.00415	0.8
151.04015	11.7
152.01114	0.8
153.01881	0.5
153.05614	0.4
157.01443	0.9
157.85008	0.4
161.02437	1.6
161.04547	1.2
161.05968	0.7
162.03239	7.1
163.03963	1.5
164.04773	1.3
165.05573	16.9
166.02719	2.9
166.06010	0.5
173.00891	1.0
173.04625	2.1
175.04039	0.7
177.05548	4.0
178.02753	0.4
179.03535	1.0
179.05602	3.6
179.07167	1.2
180.04245	1.3
181.05049	3.4
191.03696	0.7
191.05592	5.2
193.05046	0.4
195.06628	8.2
205.05075	0.8
207.06329	0.4
209.11755	0.4
220.07440	0.8
263.07858	0.5
300.47556	0.4
308.30743	0.4
352.07813	0.6
387.14789	0.6
416.15015	0.5
417.15576	1.6
449.14563	2.5
487.34378	0.7
535.16333	0.5
565.20898	3.4
577.20654	1.5
595.21881	1.8
601.37531	0.4
612.23303	0.4
613.22705	1.3
645.36481	1.0
713.26300	1.5
725.25946	4.0
726.26361	0.6
743.27222	2.6
747.43494	1.1
755.27545	0.5
761.28198	1.4
765.44824	0.6
773.28052	3.7
791.29401	2.0
791.42340	0.5
809.29248	2.4
809.43750	4.3
923.34180	1.0
941.52496	0.4
971.48718	100.0
972.48749	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	961.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	1.9
69.03464	2.1
69.40726	4.9
71.01385	71.3
72.99301	2.3
73.02952	27.1
75.00864	1.7
79.95753	1.0
80.96491	0.7
81.03452	0.9
83.01389	10.2
83.05025	2.1
84.27755	0.7
85.02956	35.1
87.00875	4.7
89.02448	18.3
93.03458	6.8
94.88518	0.7
95.01392	6.9
96.96010	7.2
97.02934	2.7
99.00887	9.4
99.04507	1.1
101.02444	47.1
109.02939	1.3
111.04525	1.6
113.02454	24.4
116.84651	0.7
119.03473	7.3
122.63672	0.8
123.04453	0.9
125.02428	3.2
127.04016	2.1
129.01907	0.9
131.03513	2.8
133.02966	1.5
135.04521	2.2
137.02402	1.1
139.03978	0.8
143.03500	3.8
149.04536	7.1
151.00333	2.2
155.03464	1.7
159.03004	2.6
161.02484	5.5
161.04550	22.6
173.04532	5.1
175.04053	1.0
179.05569	4.0
187.07588	0.8
191.05603	29.4
192.05931	1.1
203.05588	12.2
209.15462	5.3
221.06570	4.2
227.03558	1.3
243.02875	1.2
255.02960	1.4
271.02466	2.6
283.02594	0.9
284.03296	1.6
285.03937	1.5
299.02005	6.1
300.02591	2.2
301.03470	1.6
309.15088	1.5
371.20761	21.1
372.21158	1.1
383.07645	1.6
413.21796	48.3
414.22064	2.6
449.14697	1.0
461.05237	13.0
503.24994	100.0
504.25562	5.9
507.58707	0.8
545.91479	1.0
557.13232	2.6
593.15881	2.1
769.16559	2.1
769.29083	1.8
961.32709	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6825
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13893	0.5
70.14257	0.5
73.90417	0.2
77.81100	0.2
78.95911	2.0
79.95733	0.2
80.96511	0.3
83.05014	0.8
93.49847	0.2
94.40750	0.2
96.96024	2.1
98.19957	0.3
104.02084	0.2
111.00867	0.5
117.36097	0.2
152.99539	0.3
216.93840	0.2
217.83591	0.3
224.06952	0.8
231.96741	0.2
255.23303	10.0
256.23590	0.3
299.26569	0.3
326.39545	0.2
381.31589	0.3
393.31747	1.2
409.31052	0.5
423.32971	0.3
425.34180	0.4
441.33936	0.6
449.26663	0.3
453.33743	4.4
454.33798	0.7
471.34814	100.0
472.35159	7.5
480.30957	13.9
481.31482	0.3
602.10138	0.2
907.61407	0.3
966.68817	9.6
967.69202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	14.3
71.39639	1.9
72.51439	0.8
72.99308	1.2
73.02941	2.2
75.00886	1.9
78.10121	1.0
78.95922	1.2
81.03458	1.8
83.01411	2.6
83.05029	5.9
85.02963	4.3
87.00883	4.7
89.02442	15.2
97.02962	2.7
101.02451	11.9
113.02452	7.5
119.03535	3.4
125.02457	4.3
143.03528	2.4
161.04584	3.3
163.11301	3.8
165.12865	2.0
166.28516	1.0
173.97102	0.9
179.05583	3.1
200.72476	1.0
209.11832	100.0
210.12291	2.8
217.07117	1.8
221.06555	1.8
227.12886	10.4
235.08205	5.1
253.21371	1.1
255.23302	53.2
256.23679	2.4
259.08176	1.1
268.84198	0.9
285.53510	1.2
287.07809	1.1
305.08762	2.6
323.09952	1.4
379.12430	14.3
397.13501	35.5
415.14453	6.6
589.25018	4.7
607.26086	3.9
635.36450	4.2
653.37726	8.2
927.11676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	24.8
71.46315	25.2
73.02893	25.7
80.96532	27.1
82.09598	28.1
89.02456	36.0
118.35577	22.9
130.22684	22.2
145.63983	23.9
177.60080	25.1
188.33699	29.4
209.11784	100.0
210.12183	34.9
225.00516	25.9
229.26117	26.7
255.23325	74.9
256.23648	51.7
286.36700	27.6
397.13525	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.5
68.99801	1.5
69.03448	1.1
71.01004	0.8
71.01383	14.0
71.55690	0.7
72.99300	1.4
73.02946	3.1
75.00874	16.4
79.95724	0.9
83.01386	1.3
85.02953	11.8
87.00876	2.1
89.02449	2.2
89.92098	0.4
92.37323	0.4
93.03458	3.6
94.15084	0.5
95.01393	1.5
96.96014	17.4
97.63414	0.4
99.00882	14.6
101.02438	2.5
103.04013	0.8
109.02920	0.7
111.00880	1.0
111.04527	0.7
113.02464	5.3
115.00393	0.6
119.05065	0.5
121.02990	0.6
127.03998	0.9
133.02994	0.5
134.03679	0.4
135.04494	0.5
145.02960	0.5
145.08696	0.7
150.03191	0.7
155.15387	0.5
157.01445	1.1
161.02516	0.9
161.04713	0.6
166.58583	0.4
169.44630	0.4
173.04524	2.0
175.04036	0.7
177.01797	0.6
177.78450	0.4
179.03487	0.5
191.05597	7.8
207.02971	0.5
289.11099	1.4
329.80121	0.5
448.10684	0.5
449.14496	1.9
471.34705	3.4
539.37512	1.0
585.37946	2.4
629.36731	2.5
659.41907	0.7
672.35791	0.5
729.63654	0.5
731.44006	3.9
732.45288	0.5
749.44586	1.1
761.06287	0.5
793.43695	7.1
794.30090	0.6
794.43793	1.0
866.15393	0.6
937.27246	0.5
955.49072	100.0
956.49304	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	955.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	1.0
67.12717	0.4
68.99819	2.2
69.03462	0.8
70.74911	1.0
71.01387	12.6
72.99308	1.7
73.02940	2.2
75.00878	13.9
79.95731	0.4
81.03445	0.6
83.01397	1.7
85.02960	13.7
86.00069	0.4
87.00872	2.0
89.02467	2.5
93.03458	2.5
93.94749	0.4
95.01381	1.6
96.96013	4.1
99.00886	13.3
99.04536	1.5
101.02445	2.4
103.04024	0.6
111.00894	1.8
112.01658	0.5
113.02457	6.9
115.00367	0.6
116.92873	0.6
119.03475	0.4
125.02476	0.5
129.40456	0.5
131.03529	0.4
135.04558	2.1
137.02444	0.5
138.02962	0.4
145.02959	0.6
145.06039	0.4
150.03247	0.6
157.01405	1.1
161.02382	0.9
161.04535	1.7
165.05588	0.5
173.04550	2.1
175.04025	0.5
179.03490	0.9
191.05647	5.3
192.05876	0.6
209.11887	1.2
352.08008	1.0
423.32520	0.5
439.32474	0.5
449.14658	2.1
471.34970	3.3
542.63727	0.4
585.37750	1.5
629.36981	2.0
659.41913	0.7
731.43866	3.1
749.45148	2.1
793.43903	6.7
794.43988	0.7
809.43811	0.8
810.43445	0.9
811.44086	2.3
812.44904	0.4
835.45789	0.6
955.49146	100.0
956.49341	12.9
985.11847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.9
68.99817	1.2
69.03452	0.4
71.01389	5.2
71.05032	0.3
71.32378	0.2
71.56144	0.2
72.99309	2.8
73.02950	0.7
75.00877	24.0
83.01393	2.0
84.02162	0.2
85.02956	21.8
86.00109	0.2
86.03272	0.3
87.00886	1.8
89.02444	0.6
93.03488	1.1
95.01394	3.3
96.96014	3.5
97.02944	0.9
98.95602	0.2
99.00896	2.5
99.04527	8.9
101.02451	3.8
103.00363	0.3
110.21461	0.2
111.00269	0.2
111.00900	2.7
112.01637	0.5
113.02457	13.7
115.00354	0.6
116.01129	0.5
116.92870	1.0
117.01930	0.8
119.03559	0.3
125.02346	0.3
127.03945	0.2
129.01949	0.7
133.02988	0.3
134.03729	0.3
135.04538	1.2
139.00444	0.3
157.01436	1.1
161.04565	12.9
162.04852	0.4
171.10190	0.2
173.04539	0.4
175.02525	0.5
179.03416	0.2
191.05621	4.2
209.11864	0.2
227.03502	0.2
283.13382	0.3
290.22876	0.2
308.08722	0.2
321.69568	0.2
329.23279	0.2
352.07962	0.6
353.14035	0.3
407.33203	0.5
449.14523	0.8
453.33295	0.3
471.34763	1.1
539.37238	0.4
555.37006	0.2
567.36877	0.2
573.38165	0.3
585.37939	3.9
586.37817	0.3
587.35809	0.3
603.39154	0.3
621.25342	0.2
629.37042	1.2
647.38062	2.6
689.39087	1.1
761.33472	0.8
809.43317	100.0
810.43616	10.5
851.44354	22.8
852.44769	2.5
891.47815	1.0
953.47638	5.4
954.48090	0.7
955.49652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01876	3.5
69.03456	2.4
71.01378	17.8
71.04995	2.4
71.54350	1.8
72.99313	3.3
73.02950	5.3
75.00872	10.5
81.03467	1.9
83.01385	2.5
85.02949	23.0
87.00867	6.3
89.02444	3.1
93.03485	2.0
95.01369	3.2
96.96026	4.1
99.00330	2.7
99.00884	22.1
101.02445	3.6
111.00885	100.0
112.01174	2.9
113.02453	7.1
115.00391	2.1
121.53559	1.6
125.17245	1.8
133.02985	2.7
135.04463	3.2
161.02362	3.3
173.00923	15.6
191.05611	10.8
209.11752	2.4
209.47034	1.9
385.58633	2.1
407.32895	2.3
458.44260	1.9
469.32944	5.6
750.06744	2.2
773.40936	3.9
791.42267	44.5
792.42682	3.1
870.86975	2.2
939.49493	8.5
953.47333	42.7
954.47144	6.1
967.45624	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	951.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	2.1
69.03436	0.7
69.96371	0.7
71.01392	1.6
71.40091	0.1
73.02934	0.3
81.03439	0.7
83.05020	0.6
84.17290	0.1
85.02953	8.2
87.00875	4.5
89.02378	0.2
93.03462	17.3
94.03777	0.4
96.96014	1.7
99.00862	0.4
99.04501	0.7
101.02448	0.2
102.98605	0.1
109.02930	0.9
111.04526	3.4
113.02450	0.4
115.03989	0.3
115.05515	0.2
119.05013	0.1
127.04014	2.6
128.91618	0.1
129.01974	0.3
133.02945	0.3
134.03694	0.4
135.04523	0.4
137.02444	0.5
143.03476	0.4
143.04782	0.1
145.03012	0.1
151.00357	0.3
155.03502	0.8
158.03819	0.1
159.04529	0.2
161.02435	0.2
161.04544	0.2
163.44072	0.1
171.02975	0.6
171.04408	0.3
172.05292	0.8
173.04550	14.1
174.03247	0.4
174.04900	0.4
175.03923	0.2
183.04474	0.4
184.05269	0.3
187.04057	0.3
187.07642	3.2
191.05611	100.0
192.05911	1.7
196.04836	0.1
197.06136	0.2
198.06834	0.4
199.03987	0.2
200.04799	0.3
202.06346	0.5
203.10722	0.2
207.02960	0.2
209.12190	0.2
213.09198	3.0
215.07147	0.5
227.03500	1.7
228.03900	1.1
229.04245	0.2
229.08694	0.6
231.06581	0.4
231.10254	4.4
232.10635	0.2
233.06624	1.6
255.02985	2.3
256.03384	1.2
257.03757	0.5
257.08185	11.3
258.08527	0.3
275.09244	2.2
284.03265	2.2
285.03619	1.6
286.03918	0.9
291.12643	0.3
405.70471	0.1
431.13449	16.3
432.14023	0.9
447.09232	3.6
448.09607	3.4
449.10013	1.6
449.14688	19.2
450.14993	1.1
467.15366	0.2
741.11292	0.2
763.00146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66873	0.4
67.01893	12.0
69.03457	3.5
71.01388	6.7
72.99303	0.5
73.02945	0.7
78.04381	0.3
79.95737	0.6
81.03463	3.4
83.05020	2.0
85.02963	4.8
86.18307	0.4
87.00880	18.2
87.58234	0.4
89.02426	0.8
93.03461	100.0
94.03781	1.3
96.96021	5.8
97.06534	0.7
98.20724	0.8
99.00880	1.9
99.04530	2.1
101.02441	1.3
107.04997	0.4
109.02966	2.0
111.00887	4.3
111.04523	13.6
113.02464	1.7
115.04018	1.1
120.34063	0.5
121.02941	0.4
123.04565	0.6
125.02487	0.4
127.04002	1.2
129.01956	2.2
133.02986	1.9
134.03749	12.7
134.54614	0.4
135.04541	5.1
137.02434	2.8
141.44449	0.4
143.03499	1.5
145.02957	0.6
153.01997	0.5
155.03487	3.4
159.04463	0.6
160.01662	0.7
161.02464	0.8
161.04568	0.4
171.03003	0.5
173.04550	53.0
174.04993	0.6
175.03938	0.6
177.01949	0.9
178.02687	3.7
179.03485	1.5
186.03412	0.4
186.06891	0.5
187.07637	1.1
191.05612	32.9
192.05960	0.8
213.09196	0.4
215.07126	5.7
217.81137	0.4
227.03278	0.4
231.10303	0.5
241.07060	0.8
255.06517	0.8
256.07364	2.3
257.08218	0.4
275.09186	0.4
293.10303	1.3
307.11826	1.5
351.07260	0.5
353.13907	0.9
371.14999	0.6
419.13110	0.4
449.14539	31.4
450.14789	1.7
467.15585	60.2
468.15912	2.1
481.17154	47.4
482.17795	2.5
545.20447	1.2
623.22308	0.4
775.28394	0.8
949.32831	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	949.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66873	0.4
67.01893	12.0
69.03457	3.5
71.01388	6.7
72.99303	0.5
73.02945	0.7
78.04381	0.3
79.95737	0.6
81.03463	3.4
83.05020	2.0
85.02963	4.8
86.18307	0.4
87.00880	18.2
87.58234	0.4
89.02426	0.8
93.03461	100.0
94.03781	1.3
96.96021	5.8
97.06534	0.7
98.20724	0.8
99.00880	1.9
99.04530	2.1
101.02441	1.3
107.04997	0.4
109.02966	2.0
111.00887	4.3
111.04523	13.6
113.02464	1.7
115.04018	1.1
120.34063	0.5
121.02941	0.4
123.04565	0.6
125.02487	0.4
127.04002	1.2
129.01956	2.2
133.02986	1.9
134.03749	12.7
134.54614	0.4
135.04541	5.1
137.02434	2.8
141.44449	0.4
143.03499	1.5
145.02957	0.6
153.01997	0.5
155.03487	3.4
159.04463	0.6
160.01662	0.7
161.02464	0.8
161.04568	0.4
171.03003	0.5
173.04550	53.0
174.04993	0.6
175.03938	0.6
177.01949	0.9
178.02687	3.7
179.03485	1.5
186.03412	0.4
186.06891	0.5
187.07637	1.1
191.05612	32.9
192.05960	0.8
213.09196	0.4
215.07126	5.7
217.81137	0.4
227.03278	0.4
231.10303	0.5
241.07060	0.8
255.06517	0.8
256.07364	2.3
257.08218	0.4
275.09186	0.4
293.10303	1.3
307.11826	1.5
351.07260	0.5
353.13907	0.9
371.14999	0.6
419.13110	0.4
449.14539	31.4
450.14789	1.7
467.15585	60.2
468.15912	2.1
481.17154	47.4
482.17795	2.5
545.20447	1.2
623.22308	0.4
775.28394	0.8
949.32831	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	947.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25177	0.8
69.03446	1.4
69.59261	4.3
71.01384	21.0
72.66416	0.7
72.99302	1.8
73.02937	4.0
79.31632	0.7
80.96513	1.5
81.03439	1.2
83.01382	2.6
85.02959	6.0
87.00874	5.8
87.54349	0.6
89.02444	21.0
93.03482	1.0
95.01366	1.1
96.96010	0.9
97.02950	5.0
97.06568	0.8
99.00882	1.3
101.02435	18.9
111.04471	1.0
113.02440	8.6
113.09718	9.6
119.03501	3.9
125.02448	7.7
131.03464	1.2
133.05029	0.8
135.04419	0.8
139.11267	0.8
140.23076	0.8
141.01959	0.8
143.03477	3.2
161.04549	4.2
167.10777	1.7
179.05554	3.9
179.10735	1.2
191.05614	1.7
195.13873	1.5
198.81853	0.6
209.11806	3.4
210.12193	1.5
221.06691	1.7
225.00647	0.9
235.08194	7.8
246.08412	0.8
249.22214	0.9
253.09348	1.5
255.23282	59.4
256.23563	1.7
263.07703	1.0
277.21735	2.0
287.07736	3.8
293.21207	52.4
294.21542	2.2
305.08704	3.9
323.09750	1.8
379.12402	1.2
397.13483	100.0
398.13791	4.0
415.14569	30.0
416.14746	1.4
653.37518	10.1
654.37793	1.1
786.63770	0.7
822.39465	0.7
930.71338	0.9
947.47321	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.8
69.26449	1.2
71.01404	0.8
71.01733	0.2
73.02921	0.2
81.03458	0.4
83.05013	0.3
85.02945	8.5
87.00877	1.9
93.03452	5.8
96.95990	0.4
99.04502	0.4
107.01385	0.4
108.02169	0.4
109.02937	1.7
111.04508	1.4
113.02448	0.2
121.02934	0.5
122.69731	0.2
125.02417	0.3
127.04004	2.1
129.01915	0.2
135.00902	0.3
135.04536	0.3
137.02486	0.4
141.93668	0.1
148.01645	0.2
151.00345	2.9
155.03484	0.2
159.04520	0.4
163.00317	0.5
163.04031	0.2
171.02988	0.7
173.04552	2.6
173.06023	0.3
178.99847	1.4
187.04033	0.8
187.07648	2.0
191.05595	100.0
192.05959	1.9
198.03139	0.2
199.04044	0.3
201.05585	0.3
202.06363	1.4
203.07109	0.4
203.10768	0.2
211.03885	0.2
213.09181	1.3
215.07045	0.3
220.55324	0.2
226.02753	0.3
227.03429	0.6
228.04091	0.2
229.04973	0.2
231.10233	2.5
240.75459	0.2
243.02968	1.9
245.04416	0.2
245.11887	0.3
247.09772	0.2
254.02193	0.6
255.02956	5.4
256.03354	0.3
257.08112	1.2
271.02444	11.6
272.02887	1.0
273.04089	0.4
275.09201	1.4
283.02335	0.4
289.10818	0.9
299.01950	0.3
300.02731	24.3
301.03470	11.6
302.03830	0.5
307.11749	0.4
342.91199	0.2
449.14487	32.9
450.14816	1.8
463.08783	33.2
464.09134	2.3
467.97656	0.2
479.21521	0.2
481.17090	11.6
482.17578	0.7
493.17902	0.3
557.12781	0.4
753.16925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01896	0.9
71.01391	2.1
77.14979	0.5
78.69001	0.5
81.03468	1.0
83.05021	1.2
85.02952	18.3
87.00869	4.4
93.03462	16.1
95.01357	0.6
96.96017	2.5
97.02962	0.6
99.04549	1.2
101.02425	0.8
108.02219	1.0
109.02962	2.1
111.04507	2.5
112.77441	0.5
123.04543	2.2
127.04013	3.7
132.02194	3.6
133.02946	1.0
135.04622	0.9
137.02406	0.9
147.04436	0.8
149.02470	0.9
155.03554	0.9
159.04553	1.2
161.02499	1.0
171.02980	1.2
171.04543	2.0
173.02460	0.6
173.04544	3.7
174.03256	0.8
175.03903	1.2
176.03036	0.5
179.04988	1.3
181.03429	0.5
181.05058	0.7
191.05615	94.6
192.05945	2.0
195.04520	2.6
198.03253	1.8
199.04024	1.6
201.01907	1.9
203.03372	0.8
207.04526	2.2
211.03993	4.8
213.05609	2.2
222.03177	1.0
223.04015	16.2
224.04681	2.7
225.05586	1.5
226.02711	0.8
227.03549	2.0
229.01416	1.1
229.05069	0.8
235.03987	9.4
236.04652	1.0
237.05585	0.6
238.02776	1.3
239.03490	7.1
240.04242	1.5
241.05057	3.1
243.02936	1.2
250.02696	2.4
251.03493	7.8
252.04066	1.0
253.05055	1.2
254.02077	0.7
255.02979	3.2
262.02292	0.6
263.03558	1.5
264.04260	1.5
266.02182	1.4
267.02994	13.1
268.03549	1.4
269.04321	2.9
272.08417	0.7
279.02991	8.5
280.03809	3.7
281.04517	2.3
283.02481	0.6
283.07507	1.1
285.05530	0.9
286.06174	0.7
287.06961	1.2
288.04779	0.6
288.07968	1.6
293.04303	0.7
295.02347	2.1
296.03210	1.0
297.04016	1.7
298.06366	0.7
299.07089	6.4
300.07883	1.7
301.05286	0.7
301.08755	2.2
302.05707	1.2
303.06528	1.1
305.07068	0.9
307.02390	1.2
311.02011	0.6
311.07098	1.4
312.07941	1.1
314.05652	0.9
315.06641	11.5
316.07388	7.2
317.08136	2.1
323.02039	1.6
324.02844	3.2
325.03650	1.4
326.05835	0.9
327.06638	8.8
328.07431	6.6
329.04837	0.8
329.08243	5.4
339.08679	0.9
340.07370	1.2
343.06100	20.7
344.06876	7.8
345.03745	1.1
345.07693	13.0
354.05237	2.1
355.06131	2.4
356.06885	2.1
357.07611	3.3
359.05750	0.9
365.06696	0.9
371.05576	11.6
371.44739	0.6
372.06378	11.3
373.02878	0.9
373.07162	10.0
374.04227	1.1
375.05045	2.3
383.07355	1.1
387.16690	1.1
389.06055	0.7
400.00403	1.2
400.05881	65.6
401.06650	91.5
402.07333	5.5
403.04498	1.1
414.11862	0.6
418.06827	2.2
419.07864	5.2
444.04813	2.5
445.05692	8.7
519.20367	0.9
557.12811	0.9
609.15729	0.6
627.91388	0.6
637.12006	6.6
679.12982	0.8
709.17719	100.0
710.18329	9.5
727.18652	6.9
728.19293	0.6
753.16724	80.3
754.17169	6.4
804.81476	0.6
945.22986	26.4
946.23053	2.4
953.69897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	1.4
68.99809	0.6
69.38721	1.3
69.39145	2.5
71.01374	3.6
73.02943	0.8
79.95728	0.8
81.03448	1.1
83.05019	1.0
85.02449	0.9
85.02953	18.1
86.03262	0.6
87.00886	3.8
89.02434	1.0
93.03459	19.6
96.96006	3.6
98.19887	0.7
99.04509	1.4
101.02466	1.1
107.05011	2.0
109.02948	2.3
111.04506	2.6
113.02458	0.8
113.62582	0.6
119.05040	2.9
121.02953	2.3
127.04036	3.0
133.02977	1.2
135.04529	2.9
137.02448	3.4
137.06087	1.7
138.03160	0.6
145.02960	1.0
147.04556	0.7
153.02020	0.7
153.05626	1.8
157.02948	0.7
159.04523	11.0
161.02438	1.6
163.04016	2.7
171.02988	0.9
173.04532	3.9
179.03601	0.6
181.05040	1.6
187.04034	0.8
187.80789	0.5
190.02644	0.6
191.05611	100.0
192.05946	2.3
203.03500	7.0
207.02953	1.0
225.05658	0.5
229.01355	3.0
235.04045	1.2
238.06451	0.6
244.94728	0.5
251.03479	1.6
252.04207	0.9
253.05089	3.7
263.03436	3.6
263.64771	0.5
264.04111	0.7
265.05029	1.4
265.86255	0.5
268.07327	0.7
277.05109	0.7
279.02975	1.8
279.06348	0.6
280.03766	2.0
281.04517	9.4
282.05258	1.0
283.06073	1.1
291.02960	2.6
292.03821	1.6
293.04565	1.4
295.06116	1.9
296.06906	5.1
297.07562	1.0
298.08545	1.3
305.04794	0.8
305.08478	0.6
306.05450	1.1
307.02478	3.2
307.06052	1.7
308.03265	4.3
309.04062	6.0
309.07404	0.9
311.09213	6.7
313.10922	2.0
321.07761	0.6
322.04669	1.6
323.05634	7.3
324.06339	4.8
335.01974	2.1
337.07181	2.3
338.07861	4.8
339.08713	13.3
343.06387	0.8
343.10248	0.6
350.04178	3.5
355.08066	2.5
357.09860	0.9
365.06641	9.9
366.07397	0.6
369.06433	1.1
381.09961	0.7
383.07703	10.0
387.09332	0.7
397.08856	0.6
399.10794	4.9
400.05673	1.4
401.06506	1.7
425.08826	5.4
429.11819	0.9
441.11771	0.9
443.09586	1.0
449.95117	0.6
455.09787	2.1
473.10715	1.2
483.13010	0.7
485.11078	2.5
497.13428	0.6
499.12628	0.7
501.13989	0.7
503.11862	3.2
515.12164	2.1
527.12018	2.0
545.13080	3.5
557.13031	11.9
558.13129	0.7
563.14185	1.7
665.18756	6.5
709.17719	33.2
710.17810	3.2
719.18665	1.8
727.18066	0.8
737.19238	0.7
753.16711	35.0
754.16949	3.9
901.24139	2.9
902.25281	0.7
945.23047	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	1.3
68.99802	2.5
69.27306	6.3
71.01387	24.0
72.99297	1.7
73.02943	2.2
75.00876	15.8
83.01392	2.8
85.02951	15.2
87.00869	3.1
89.02459	6.6
93.03434	3.8
95.01358	3.6
96.96011	4.3
99.00877	14.9
101.02425	2.6
111.00887	11.8
113.02454	6.1
115.00325	0.9
135.04514	1.7
157.01456	0.9
161.02399	1.0
173.00856	1.5
173.04584	1.8
184.64680	0.7
191.05644	4.1
233.52057	0.8
449.14548	2.8
450.14841	0.7
491.27325	1.0
581.76196	0.7
779.42523	4.1
941.47589	100.0
942.47675	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	933.6463
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21606	1.8
71.01382	0.5
96.96037	0.7
100.26339	0.2
119.00275	0.2
147.98221	0.2
156.60696	0.2
171.10271	0.2
191.05598	0.3
200.71965	0.2
205.46141	0.2
209.11795	0.2
222.52808	0.2
250.86174	0.2
293.21024	0.2
353.28540	0.7
354.28580	0.2
356.49014	0.2
397.27197	0.3
399.29108	0.3
406.77914	0.2
415.28802	0.2
427.28500	0.8
439.32623	0.2
445.29593	43.2
446.29892	3.3
457.33240	0.7
469.33276	0.9
487.34286	100.0
488.34656	7.8
501.32123	0.4
647.69257	0.2
737.47778	0.2
869.01135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.2
71.01360	0.5
71.56167	0.3
73.03033	0.2
78.47814	0.2
83.01366	0.5
85.02946	0.4
89.02467	0.2
93.03450	0.5
101.02454	0.4
107.01406	1.5
108.02168	0.6
109.02942	0.7
113.02455	0.5
121.02969	0.9
135.04558	0.2
148.01677	0.7
149.40321	0.2
151.00374	6.4
163.00375	1.5
173.04523	0.2
178.99887	3.2
187.04005	0.3
190.99811	0.2
191.05600	1.5
199.03987	0.3
201.05490	0.2
211.04041	0.3
211.94189	0.2
215.03479	0.4
216.04355	0.3
218.34416	0.2
225.15027	0.4
226.02679	0.8
227.03418	1.1
229.04979	0.4
239.03555	0.3
243.02992	4.2
244.03598	0.5
245.04564	0.8
254.02144	1.2
255.03000	13.6
256.03293	0.7
271.02478	28.6
272.02942	2.0
273.03955	0.7
274.08359	0.3
283.02505	0.7
299.01886	0.3
300.02756	63.3
301.03503	28.4
302.03946	1.3
369.19171	1.8
387.20288	0.7
429.21182	1.2
463.08823	100.0
464.09076	6.3
613.58545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95399	0.4
68.99814	1.3
69.03470	0.6
71.01379	9.3
71.55721	0.8
72.99328	1.0
73.02940	2.3
74.64747	0.5
75.00874	16.9
80.41636	0.5
83.01421	1.3
85.02951	8.8
87.00874	1.1
87.74838	0.5
88.98806	0.5
89.02432	1.2
93.03438	1.3
95.01373	1.5
96.96009	6.7
96.98152	0.5
98.95570	0.6
99.00882	14.6
101.02429	1.5
103.03991	0.7
111.00877	1.1
112.45259	0.6
113.02444	3.9
115.00394	0.6
125.02486	0.7
135.04556	0.7
155.76311	0.6
157.01430	0.8
159.04459	0.6
161.02449	1.1
162.59541	0.5
173.04543	0.9
177.84274	0.4
191.05621	5.2
209.11874	1.2
395.13864	0.8
453.33542	0.6
455.35263	4.6
523.38019	0.9
569.38293	2.6
613.37793	2.5
641.62268	0.6
643.42188	1.3
715.44159	5.1
716.44757	0.6
733.44830	0.9
777.44342	7.1
778.44580	1.0
819.45593	0.6
841.42175	0.6
939.49615	100.0
940.49957	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	933.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91988	2.8
68.39088	2.9
71.01386	61.9
71.53860	3.0
72.99316	3.3
73.02944	3.8
73.17851	2.8
75.00887	2.8
81.44271	3.3
85.02935	6.5
87.00884	7.0
89.02439	21.3
97.02950	6.2
99.00883	6.2
100.27349	2.3
101.02445	18.7
109.06594	4.3
113.02421	9.4
119.03490	10.1
125.02429	8.5
125.09708	4.7
127.11288	4.9
155.10736	3.5
161.04559	4.2
163.11409	3.7
166.50471	2.9
171.10277	31.7
179.05649	5.6
181.12343	5.0
199.09804	20.9
199.13364	6.4
201.11334	33.5
207.10243	21.4
209.11876	5.2
225.11359	28.2
235.08183	5.9
243.12396	4.5
246.09720	2.6
255.23297	100.0
256.23465	3.2
379.12436	13.0
397.13455	70.4
398.13715	5.4
415.14365	12.6
585.49377	3.3
597.24280	3.0
605.24353	8.6
623.25122	3.5
653.37384	10.2
835.46973	21.3
843.45093	11.1
861.48718	33.4
879.49207	10.6
897.34607	4.4
897.50806	54.3
898.51782	5.2
933.47247	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	933.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32807	27.3
71.01392	43.9
73.02945	7.5
78.95963	4.1
79.95734	4.3
80.96528	9.9
84.74098	2.9
85.02940	6.7
87.00870	11.6
89.02454	25.7
90.51851	3.2
93.03461	3.5
96.96017	58.0
97.17465	2.9
98.20724	3.3
99.00898	3.1
101.02457	23.0
109.06582	3.6
113.02463	12.2
119.03503	8.1
125.02457	10.8
125.09669	4.0
127.11268	3.2
132.09138	3.9
143.03516	5.5
161.04587	5.5
171.10278	90.7
172.10719	3.8
179.05614	6.7
181.12346	3.5
191.05591	3.8
199.09735	7.4
201.11325	20.7
207.10167	21.2
209.11813	4.9
225.11359	58.8
235.08278	11.0
243.12350	4.8
255.23297	100.0
277.21729	17.9
279.22916	3.3
287.07874	3.6
305.08798	4.5
326.79910	3.5
347.76974	3.8
379.12451	32.6
397.13486	91.7
415.14532	14.8
445.23969	6.3
490.93961	3.6
551.23218	14.4
569.24426	5.3
605.24835	7.7
623.23853	3.6
635.36401	17.5
653.37396	20.1
669.74811	3.9
807.47717	7.7
835.47083	18.2
859.44708	4.3
861.48309	45.8
862.48761	7.3
879.49976	8.1
897.50159	11.8
915.47473	15.2
933.45294	6.2
958.04675	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	931.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80154	2.5
70.17767	8.3
70.18128	2.7
71.01386	12.9
72.32968	2.4
83.05038	3.3
87.00869	2.7
89.02442	9.1
101.02422	10.3
113.02422	3.4
119.03515	4.2
125.02453	6.6
161.04555	4.6
179.05629	4.3
209.11826	100.0
227.12888	21.8
235.08061	3.8
255.23309	53.8
323.09943	2.8
379.12302	25.9
397.13544	56.6
415.14523	9.0
471.97919	2.5
589.25104	17.7
607.25897	12.1
635.36493	17.8
653.37665	21.9
672.06970	2.7
752.94635	2.7
770.99133	2.6
845.48999	18.6
863.48700	5.0
931.50128	94.1
932.50250	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	933.365
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83035	0.0
66.57334	0.0
71.01392	0.1
71.55952	0.0
78.95908	0.9
79.95742	3.8
85.02930	0.1
89.02486	0.1
93.03437	0.3
94.98074	0.1
95.97566	0.1
96.96015	100.0
97.95959	0.2
101.02400	0.1
107.18231	0.1
108.06762	0.0
113.02433	0.1
130.98659	0.0
133.02972	0.1
134.03751	0.1
135.04527	0.1
153.01952	0.1
173.04530	0.1
191.05606	0.6
192.05942	0.1
209.11839	0.3
227.12903	0.1
257.74905	0.1
347.17148	0.1
388.27029	0.0
395.26315	0.0
397.13562	0.1
449.14752	0.1
915.29407	0.1
933.36389	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	931.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	11.1
68.56351	0.4
68.99798	0.4
69.03455	3.2
69.43140	1.3
69.43558	1.5
71.01384	5.0
73.02948	0.5
75.00874	0.5
79.89108	0.4
81.03455	2.4
83.05029	1.9
83.29364	0.4
85.02942	2.8
87.00879	15.3
88.84338	0.3
89.02470	0.5
93.03460	85.3
94.03805	1.3
95.01356	0.4
96.96008	4.0
97.02951	0.4
98.19865	0.4
99.00867	1.9
99.04511	1.3
101.02443	1.0
105.03440	0.7
108.02174	0.7
109.02949	1.6
111.00880	1.5
111.04521	11.8
113.02457	1.3
115.04030	0.8
121.02978	0.4
122.03764	0.4
123.04481	0.5
124.01668	0.7
127.04037	1.1
129.01938	1.9
129.48878	0.4
130.42810	0.4
132.02155	0.8
133.02969	3.3
134.03740	7.1
135.04546	7.5
137.02451	1.5
143.03531	0.9
149.02470	0.6
149.06049	0.4
150.03238	0.7
151.00436	0.5
151.03989	1.3
155.03502	2.6
160.01639	2.3
161.02470	0.8
162.03252	1.5
163.03908	0.4
173.04546	44.1
174.04840	0.9
177.01907	1.4
178.02719	3.1
179.03516	1.9
191.05611	24.8
192.05943	0.7
209.11900	0.5
223.06088	0.5
231.10220	2.0
257.08289	1.1
268.54117	0.5
275.09274	4.1
285.03882	0.5
300.02661	0.7
308.08963	0.8
351.07114	1.0
352.07886	1.8
449.14520	100.0
450.14841	6.9
463.09393	0.4
471.13089	0.4
481.17163	34.4
482.17416	1.9
813.05627	0.5
931.32715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	0.3
65.25563	0.3
67.01894	12.5
69.03458	3.2
71.01387	5.1
71.56567	0.4
73.02935	0.5
73.09633	0.3
81.03465	2.4
83.01394	0.4
83.05018	2.1
85.02945	3.0
87.00880	16.9
88.98771	0.3
89.02449	0.4
91.29693	0.3
93.03461	100.0
94.03819	1.2
96.96021	2.7
97.06586	0.3
99.00880	1.5
99.04512	2.2
101.02459	0.7
105.03468	1.0
108.02163	0.4
109.02964	1.7
111.00890	0.6
111.04523	14.2
113.02460	1.9
115.04022	0.8
121.02892	0.3
123.04518	0.5
127.04037	0.9
127.36333	0.3
129.01953	2.0
131.82446	0.3
132.02228	0.6
133.02971	3.3
134.02718	0.5
134.03749	10.3
135.04549	4.3
137.02419	1.8
143.03484	0.9
151.03935	0.4
155.03506	3.6
160.01695	2.4
161.02463	0.5
161.04602	0.3
162.03264	1.3
162.58885	0.3
169.12389	0.6
173.04552	50.1
174.04892	1.1
174.54739	0.3
177.01894	0.6
178.02757	1.4
179.03496	1.1
187.07553	0.4
191.05617	25.7
192.05936	0.5
203.03223	0.3
224.77139	0.3
231.10292	4.1
233.61772	0.3
255.06433	0.4
257.08209	1.3
271.02591	0.3
275.09253	6.5
275.11996	0.5
283.39001	0.3
307.08481	0.4
307.11835	1.3
308.09003	0.3
351.07294	1.0
352.07925	0.5
387.16577	0.4
449.14532	92.4
450.14908	4.9
481.17163	44.6
482.17398	2.8
528.05341	0.3
931.29932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.3
67.01894	11.2
69.03462	2.9
70.22598	0.2
70.83317	0.2
70.83646	0.4
71.01390	4.0
73.02960	0.8
79.16597	0.2
79.95730	0.3
80.96532	0.2
81.03462	2.4
83.01385	0.3
83.05030	2.1
85.02942	2.0
87.00880	15.8
93.03465	95.9
94.03805	1.0
95.01391	0.4
96.96025	2.7
97.02991	0.5
97.06598	0.4
99.00883	2.0
99.04536	1.7
101.02458	0.5
105.03468	0.3
108.02187	0.3
109.02967	1.3
111.00905	3.4
111.04527	11.9
112.01222	0.3
112.04900	0.3
113.02446	1.7
115.04012	0.8
116.92875	0.5
121.02961	0.3
123.04514	0.3
124.01734	0.2
125.02464	0.6
126.03236	0.2
127.04021	0.6
129.01952	2.2
132.02173	0.3
133.02968	2.9
134.03751	7.5
135.04543	6.9
137.02460	1.9
139.04018	0.3
143.03496	0.6
145.02924	0.4
147.04529	0.3
147.17693	0.2
150.03209	0.4
151.03966	0.7
155.03513	3.3
159.04552	0.3
160.01662	1.3
161.02463	0.9
161.04501	0.3
162.03246	1.2
173.04555	43.3
174.04880	0.8
177.01947	1.2
178.02721	3.2
179.03491	2.2
181.05040	0.3
187.07710	0.3
191.05620	15.5
192.05942	0.7
213.09076	0.2
231.10280	3.2
255.02927	0.3
257.08221	0.9
275.09207	4.3
287.05692	0.4
307.08215	0.6
308.08972	0.6
351.07062	0.8
352.07983	0.9
384.45996	0.2
449.14548	100.0
450.14914	6.2
451.15021	0.4
481.17184	29.7
482.17569	2.3
527.92841	0.3
574.78351	0.2
765.02258	0.3
931.30518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	0.5
66.94685	0.4
67.01882	2.0
69.03449	0.8
70.55962	0.5
70.56287	1.0
71.01376	1.6
71.26537	0.4
79.95767	0.6
81.03448	0.7
83.05016	0.6
85.02954	7.2
87.00880	3.5
93.03462	15.9
95.19608	0.4
96.62846	0.5
96.96011	8.0
101.02493	0.6
107.01401	0.8
108.02148	0.7
109.02956	3.3
110.88931	0.4
111.04501	3.5
121.02956	0.9
123.04481	0.5
127.04022	2.7
134.03728	2.3
135.04468	0.4
136.01651	1.7
137.02455	1.7
143.03510	0.4
143.53540	0.5
149.02467	0.5
151.00360	4.5
151.04034	0.9
153.01846	0.6
155.03511	0.9
158.03757	0.8
159.04555	1.0
163.00279	0.9
166.48651	0.4
171.02953	0.8
173.04553	12.7
173.06036	1.0
178.99867	2.1
187.04115	0.5
187.07622	3.3
191.05611	100.0
192.05923	2.7
202.06279	0.7
203.10812	0.7
211.04050	0.5
213.09233	2.3
215.07030	0.5
226.02701	0.6
227.03403	1.1
228.04138	0.6
231.10353	2.4
241.00150	0.5
243.02982	3.3
244.03362	0.7
254.02199	0.9
255.02998	9.8
256.03345	1.3
257.03540	0.6
257.08182	6.2
261.06161	0.5
271.02475	20.0
272.02890	2.9
273.03217	1.2
274.03400	0.7
275.09299	2.7
293.10278	2.9
300.02750	43.5
301.03436	22.0
302.03549	5.6
303.03903	2.6
304.04193	1.3
350.04388	1.3
365.06506	2.0
383.07626	0.9
431.13580	0.5
449.14526	35.4
450.14789	2.2
463.08823	58.5
464.09070	8.9
465.09393	5.6
466.09561	3.8
467.09958	2.6
467.15677	44.5
468.15982	3.3
481.17111	2.9
526.68250	0.5
557.13135	1.5
739.19000	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	925.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	15.0
71.55016	5.1
75.49085	3.4
81.03468	3.4
85.02958	3.4
87.00866	3.7
89.02453	7.7
89.64455	2.6
96.44228	2.6
97.02905	2.9
97.72922	2.7
101.02441	8.5
113.02450	6.4
119.03530	5.5
125.02420	7.3
125.09594	2.5
127.05144	2.8
137.46089	2.6
161.04533	4.4
163.11250	3.8
170.14883	3.2
171.10208	2.8
179.05547	6.6
196.21545	2.7
209.11806	100.0
210.12122	9.6
221.29472	2.5
227.12897	19.9
235.08134	4.4
255.23259	6.0
256.23471	3.1
281.24878	53.8
282.25259	3.4
337.42328	3.1
379.12540	17.7
385.18436	3.0
397.13510	66.7
398.13980	4.9
415.14581	12.1
455.31421	5.2
463.66034	3.2
469.33453	3.9
589.24988	9.3
607.26001	5.8
661.37701	5.7
679.38953	17.7
871.50824	5.0
925.49219	47.1
926.49219	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	926.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58174	25.9
71.01391	24.5
73.68199	9.1
73.99123	8.8
89.02444	21.8
98.19974	11.1
101.02439	20.0
141.86652	11.3
151.22974	11.4
170.79915	11.2
181.07491	11.1
209.11819	100.0
210.12207	40.4
211.12314	30.0
227.12965	17.1
255.23389	54.4
256.23721	31.3
257.23880	13.6
260.07239	10.4
397.13339	33.9
398.13715	24.1
399.13812	17.6
524.68536	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	927.4968
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
68.99802	1.5
69.03449	1.0
71.01387	20.6
72.99306	2.6
73.02949	8.4
75.00874	21.2
80.49825	0.4
83.01387	4.1
85.02955	19.5
86.00082	0.8
87.00893	2.1
89.02448	1.9
95.01389	4.0
96.95980	0.4
98.19836	0.8
99.00887	21.8
99.04512	0.5
101.02453	10.7
111.00898	2.3
112.01649	0.8
113.01714	0.7
113.02463	10.5
125.02442	0.4
129.01959	0.5
139.00352	0.5
153.84999	0.3
157.01414	1.9
161.04575	0.9
191.05603	1.3
192.22565	0.4
206.29683	0.4
263.07632	0.6
781.19995	0.4
927.49628	100.0
928.49945	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	923.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	0.2
79.95738	3.8
85.02947	0.2
87.00887	0.1
88.98795	0.1
96.96011	100.0
97.95954	0.3
99.00871	0.1
102.31545	0.1
108.25989	0.1
111.00862	0.1
135.04535	0.1
177.20406	0.1
191.05641	0.4
201.42476	0.1
241.00317	0.1
301.56735	0.1
403.83640	0.1
825.42627	0.7
826.42963	0.1
882.76538	0.1
913.38342	0.1
923.40063	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.521
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	1.1
69.50587	8.1
71.01388	15.8
72.99308	1.8
73.02950	1.8
79.66412	1.0
81.03453	2.1
83.01366	1.3
83.05038	5.7
85.02959	4.3
87.00885	3.4
89.02450	12.4
95.01430	1.5
97.02964	3.2
99.00926	1.2
101.02449	13.2
113.02482	6.7
119.03505	3.7
125.02458	6.2
135.08134	1.2
143.03479	2.5
161.04524	3.4
163.11293	3.2
165.12784	2.3
179.05577	3.3
181.12306	1.7
191.10661	1.2
207.10374	5.9
208.10634	2.1
209.11841	100.0
210.12151	2.0
217.07140	1.1
225.11296	2.3
226.11653	2.1
227.12990	9.1
235.08275	5.0
255.23308	58.6
256.23682	3.8
259.08267	1.2
287.07935	2.3
305.08823	2.8
379.12500	14.7
397.13489	40.0
398.13696	3.1
415.14590	6.6
589.24854	4.4
607.25665	3.3
635.36346	3.0
653.37421	4.8
723.61847	1.1
845.46979	1.4
860.17078	1.2
863.49347	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	924.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	72.9
71.54555	20.2
74.32855	16.5
81.06503	19.1
89.02441	23.4
97.02980	19.1
107.85838	20.6
109.06619	25.5
145.94859	18.6
163.11278	29.7
207.10226	100.0
208.10611	61.0
225.11241	27.3
255.23296	64.5
256.23682	58.7
257.24057	26.8
283.26447	43.5
379.12375	25.5
397.13492	51.6
400.14551	20.7
464.12329	19.4
607.72278	21.6
690.12555	23.4
772.21277	22.9
863.48810	32.6
864.48846	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03968	0.3
67.01875	0.3
68.99818	23.2
70.00153	0.8
70.87286	0.5
71.01381	6.2
72.55380	0.2
72.99303	0.5
73.02961	0.3
83.01379	0.6
85.02950	1.4
87.00902	0.4
89.02448	2.7
93.03460	32.0
94.03779	1.9
96.35808	0.2
96.96024	0.3
99.00902	0.4
101.02447	49.6
102.02793	1.5
103.02891	0.5
105.07123	1.3
106.04249	0.3
107.05028	4.0
109.02928	0.4
113.02438	2.1
117.03451	1.4
119.03533	1.3
119.05023	1.6
121.02957	1.7
121.06600	3.0
123.04469	0.4
127.04026	0.5
131.03365	0.2
133.02968	1.9
134.03711	0.3
135.04526	4.6
136.04851	0.3
137.02448	29.2
138.02742	2.0
139.02890	0.3
143.03511	0.2
145.02948	1.3
149.06148	1.3
151.03989	2.2
152.01723	0.2
153.05595	0.4
159.04507	0.2
161.02411	3.0
161.04524	0.3
161.06065	0.2
162.03169	0.5
163.04025	4.1
167.07024	0.4
173.04547	0.7
177.05569	5.4
179.03493	0.6
179.05516	0.3
189.01964	0.9
191.05605	3.9
193.05057	1.0
194.05840	0.9
195.06624	16.0
196.06984	1.1
207.02991	3.7
221.04550	6.1
221.06592	0.5
222.04829	0.5
239.05605	9.8
240.06000	0.9
258.98700	0.3
263.56772	0.2
299.07800	0.3
325.09406	0.5
341.08707	0.3
357.12106	0.3
369.08350	0.5
383.09143	0.3
401.10883	100.0
401.61548	0.4
402.11237	12.4
403.11426	5.6
404.11795	0.3
747.11682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	1.4
71.01382	13.6
71.05022	1.7
71.45576	1.1
73.02948	2.4
83.01396	1.2
85.02939	3.7
87.00880	4.0
89.02428	7.1
93.75583	1.2
95.02722	1.0
96.95995	1.2
97.02956	8.3
97.06622	2.2
99.00884	13.9
101.02436	9.2
109.06564	4.4
110.03774	1.6
113.02436	4.4
125.02441	4.2
125.09737	3.8
126.02837	1.0
135.08177	1.3
135.74089	1.1
136.05276	1.5
142.02713	1.8
143.03456	1.5
163.11290	8.5
179.05717	1.4
180.00389	1.1
181.12331	11.3
199.13388	1.3
207.10254	43.0
208.10587	1.3
209.11838	4.8
225.11317	53.8
226.11505	1.7
235.08247	1.9
243.04439	1.2
243.12340	17.0
255.23297	50.9
256.23651	2.2
263.07626	1.7
281.24689	1.3
287.81592	1.1
289.53308	1.1
296.81064	1.3
299.15057	1.2
311.78973	1.1
313.18948	1.1
317.16281	1.1
379.12283	2.8
397.13507	15.2
415.14432	2.8
605.24524	15.4
623.25452	6.9
635.36536	1.7
651.64703	1.2
653.37317	1.2
861.48480	100.0
862.48889	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	919.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53789	0.2
65.03961	0.3
67.01902	0.4
68.99814	28.3
70.00148	0.2
71.01381	5.8
71.55591	0.4
72.99314	0.5
73.02922	0.5
74.22161	0.2
78.82446	0.2
81.03452	0.2
83.01377	0.4
85.02948	1.6
87.00871	0.6
89.02440	3.5
91.05517	0.6
93.03452	13.9
94.03826	0.3
95.01365	0.6
96.96004	0.5
99.00876	0.6
101.02438	73.4
101.50093	0.2
102.02778	0.9
102.98619	0.2
105.03439	0.4
105.07092	0.7
106.04230	0.5
107.05029	4.2
109.02915	0.3
110.27259	0.2
111.00885	0.2
113.02416	1.4
114.34426	0.2
117.03452	2.5
119.03506	1.3
119.05016	1.5
121.02973	1.8
121.06609	1.7
123.04527	0.4
124.71471	0.2
127.03998	0.3
131.03441	0.3
133.02957	2.9
134.03694	0.3
135.04510	5.7
137.02435	10.5
145.02960	1.5
149.02417	0.2
149.04642	0.3
149.06064	1.1
151.04001	1.9
153.05618	0.8
161.02466	1.9
162.03220	0.9
163.03996	2.7
165.05548	0.2
166.06281	0.3
167.07069	0.2
173.04558	0.3
177.05559	3.6
181.84938	0.2
191.05591	3.0
192.06018	0.3
193.04942	0.3
195.06606	29.8
196.06931	0.8
197.04533	0.8
207.02963	2.2
211.06133	0.5
221.04500	3.3
233.01665	0.2
239.05588	6.4
240.05841	0.3
325.09189	0.8
341.08887	0.3
357.11880	0.7
399.07858	0.3
400.10806	0.7
401.10843	100.0
402.11188	5.7
517.22974	1.0
672.50153	0.3
727.19501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03968	0.3
67.01875	0.3
68.99818	23.2
70.00153	0.8
70.87286	0.5
71.01381	6.2
72.55380	0.2
72.99303	0.5
73.02961	0.3
83.01379	0.6
85.02950	1.4
87.00902	0.4
89.02448	2.7
93.03460	32.0
94.03779	1.9
96.35808	0.2
96.96024	0.3
99.00902	0.4
101.02447	49.6
102.02793	1.5
103.02891	0.5
105.07123	1.3
106.04249	0.3
107.05028	4.0
109.02928	0.4
113.02438	2.1
117.03451	1.4
119.03533	1.3
119.05023	1.6
121.02957	1.7
121.06600	3.0
123.04469	0.4
127.04026	0.5
131.03365	0.2
133.02968	1.9
134.03711	0.3
135.04526	4.6
136.04851	0.3
137.02448	29.2
138.02742	2.0
139.02890	0.3
143.03511	0.2
145.02948	1.3
149.06148	1.3
151.03989	2.2
152.01723	0.2
153.05595	0.4
159.04507	0.2
161.02411	3.0
161.04524	0.3
161.06065	0.2
162.03169	0.5
163.04025	4.1
167.07024	0.4
173.04547	0.7
177.05569	5.4
179.03493	0.6
179.05516	0.3
189.01964	0.9
191.05605	3.9
193.05057	1.0
194.05840	0.9
195.06624	16.0
196.06984	1.1
207.02991	3.7
221.04550	6.1
221.06592	0.5
222.04829	0.5
239.05605	9.8
240.06000	0.9
258.98700	0.3
263.56772	0.2
299.07800	0.3
325.09406	0.5
341.08707	0.3
357.12106	0.3
369.08350	0.5
383.09143	0.3
401.10883	100.0
401.61548	0.4
402.11237	12.4
403.11426	5.6
404.11795	0.3
747.11682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	14.2
72.20667	2.7
73.02943	4.4
80.96523	6.0
85.02950	6.7
87.00880	6.5
89.02457	15.8
101.02448	12.6
105.39834	2.6
109.06586	4.9
113.02457	10.2
116.06859	2.9
126.07541	2.5
126.09383	2.8
136.05447	3.0
140.53105	3.2
161.04585	3.2
163.11249	3.5
171.10294	7.7
179.05612	4.6
199.09732	25.5
201.11345	4.9
207.10252	25.5
225.11345	24.1
235.08372	3.5
255.20659	3.4
255.23308	52.9
379.12418	9.2
397.13446	44.3
415.14615	7.6
478.78006	2.9
587.23419	3.9
605.24304	9.7
623.26044	5.3
635.36786	3.3
653.37616	15.7
705.40033	3.5
753.80743	3.1
828.47235	2.9
835.47021	100.0
836.46777	10.4
861.48553	63.0
862.48676	5.6
879.49200	3.3
915.47021	29.6
916.45966	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	917.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.5
67.01900	13.4
69.03461	3.3
70.29951	0.4
71.01385	5.2
73.02966	0.4
81.03465	2.5
83.01366	0.5
83.05031	2.4
85.02966	4.5
87.00886	16.2
93.03467	100.0
94.03806	1.7
95.01434	0.5
96.96025	1.3
97.02959	0.6
99.00891	1.7
99.04507	2.3
101.02479	0.8
105.03472	0.6
108.02201	0.6
109.02961	2.0
111.00877	0.5
111.04530	14.8
113.02447	1.9
115.04039	0.6
126.03257	0.3
127.04029	1.4
129.01973	2.1
132.02176	0.4
133.02951	2.6
134.03758	7.8
134.04726	0.7
135.04539	11.1
137.02444	1.9
139.04063	0.4
143.03514	1.0
146.73964	0.3
150.03297	0.5
151.04024	0.9
155.03522	3.5
159.04497	0.9
160.01666	1.0
161.02454	1.1
162.03207	0.9
173.04562	47.6
174.04831	1.1
177.01936	1.2
178.02716	2.7
179.03532	3.4
187.07686	0.5
191.05627	29.8
192.05966	0.9
231.10283	3.3
257.08182	0.5
275.09296	3.7
293.10336	0.7
308.08987	1.3
330.28253	0.4
351.07401	0.5
352.08078	2.4
389.18134	0.8
421.66098	0.5
422.87103	0.4
449.14560	90.9
450.14929	5.6
467.15610	38.9
467.22485	0.9
468.16016	3.3
605.30573	0.4
638.15881	0.5
820.23932	0.5
899.29932	3.1
917.30115	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	919.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	0.3
69.03483	0.1
69.99865	0.2
70.00240	0.3
71.01376	0.4
73.02937	0.2
75.02552	0.1
79.94122	0.1
81.03445	0.2
83.05036	0.3
85.02950	6.1
87.00879	1.4
87.27218	0.1
93.03461	2.3
94.03789	0.1
99.00864	0.1
99.04513	0.3
101.02427	0.1
109.02943	0.6
111.04507	0.8
113.02431	0.1
127.04007	1.6
133.02962	0.8
134.03740	0.1
135.04521	1.4
135.74419	0.1
137.02473	0.1
143.03505	0.1
152.37164	0.1
153.01859	0.1
155.03442	0.2
161.02437	1.9
171.03001	0.4
173.04535	1.2
179.03488	1.1
191.05605	100.0
192.05954	2.1
201.29878	0.1
215.05600	0.2
351.07147	0.2
352.07468	0.2
353.08746	18.5
354.08969	0.8
507.64951	0.1
515.12000	0.1
518.23724	0.1
555.55829	0.1
565.17316	0.1
575.61029	0.1
617.83673	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	915.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.9
71.01386	38.1
71.05044	2.1
71.55993	1.8
72.89806	1.8
72.99300	2.6
73.02938	4.7
75.00880	1.9
80.02685	2.6
81.03472	4.2
83.01382	5.1
83.05025	8.8
85.02948	7.3
85.59461	1.8
87.00891	8.3
89.02447	25.6
93.03461	3.1
96.96018	14.5
97.02953	19.6
97.06593	3.7
98.95560	1.9
99.00874	4.4
101.02444	21.9
104.30663	1.8
109.06602	35.3
110.03740	3.2
111.00890	3.2
111.04525	2.6
111.08144	4.9
113.02457	11.9
119.03473	5.5
121.06657	2.0
123.04517	2.3
123.08128	1.6
125.02457	7.3
125.09707	4.9
131.03519	1.5
135.08174	6.6
135.54832	1.6
136.05289	2.4
137.09712	2.1
141.01909	1.6
142.02696	3.2
143.03465	4.3
145.10225	2.0
149.04602	2.2
161.04568	6.2
161.09717	3.4
163.11299	27.1
164.11696	1.7
165.12849	5.0
169.12326	3.0
171.10301	5.5
179.05609	6.4
181.12349	5.9
185.11888	3.2
189.09261	2.0
191.05627	6.2
191.14407	1.8
197.11827	26.5
199.13426	2.1
207.10266	100.0
208.10539	3.4
209.11833	76.5
210.12141	2.8
211.13380	4.9
221.06732	3.8
225.09224	3.3
225.11324	46.0
227.12910	11.2
235.08263	7.9
239.12749	2.1
245.19034	5.3
247.20753	1.9
253.09253	1.6
263.20132	3.6
281.13803	2.4
287.07605	2.0
289.18066	19.7
291.19672	28.8
292.19659	1.9
305.08810	2.7
307.19138	20.9
309.20715	75.7
310.21140	4.1
323.09915	2.0
379.12460	4.9
397.08319	3.4
397.13516	60.8
398.13855	2.9
404.96954	1.8
415.14642	23.6
442.97867	2.0
455.31638	1.9
499.30469	11.8
605.24463	9.4
623.25848	8.6
707.35028	4.6
897.44934	6.1
915.46002	76.7
916.46155	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	915.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00337	0.4
67.01903	0.2
71.01395	0.3
71.55112	0.3
81.03433	0.2
83.01375	0.2
85.02952	1.1
87.00881	0.5
89.02480	0.2
93.03460	1.7
94.03809	0.2
96.96002	0.5
103.43388	0.2
107.01386	1.0
108.02164	0.5
109.02946	0.7
111.04536	0.2
121.02946	0.5
124.01645	0.4
125.02477	0.5
127.03978	0.2
135.00891	0.3
136.67575	0.2
137.02469	0.4
148.01671	0.4
149.02486	0.2
149.99594	0.3
151.00377	4.3
152.00679	0.2
161.02477	0.4
163.00365	1.3
163.04095	0.3
168.00562	0.2
169.01392	0.4
173.04544	0.9
174.03242	0.5
178.99872	3.1
187.04062	0.3
187.07695	0.2
188.04816	0.4
190.02692	0.6
190.99910	0.2
191.05611	9.4
192.05949	1.3
193.01328	0.3
193.06055	0.5
198.03278	0.4
199.04002	0.5
201.01985	0.2
203.92044	0.2
211.03996	0.3
216.04248	0.3
226.02728	3.4
227.03468	1.6
227.74974	0.2
228.04153	0.2
243.02985	8.9
244.03337	0.8
245.04384	0.2
254.02228	3.5
255.02977	5.9
256.03415	0.7
257.08191	0.5
258.08560	0.2
271.02478	41.3
272.02979	3.7
273.03217	0.5
283.02423	0.3
285.04037	0.2
299.01993	0.5
300.02753	54.6
301.03418	16.5
302.03601	2.6
303.04153	0.5
320.03134	0.3
335.05392	0.4
343.04617	0.5
353.06610	0.5
441.17828	0.3
449.14612	1.0
450.14810	0.6
451.08844	1.1
451.15274	0.6
463.08820	100.0
464.09131	8.5
464.15808	0.4
465.02847	0.2
465.09351	3.1
481.17123	0.6
527.11810	0.9
621.67487	0.2
779.41235	0.2
915.23340	0.3
932.49939	0.2
932.67853	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	4.4
69.03458	0.8
71.01386	2.4
71.56406	0.6
76.35233	0.3
81.03465	1.0
83.05022	0.9
85.02950	3.9
85.75626	0.3
87.00392	0.6
87.00883	7.5
89.61407	0.3
93.03462	39.3
94.03804	1.8
96.96023	0.7
99.00872	0.6
99.04504	1.2
101.02485	0.6
107.01351	0.5
109.02990	2.0
111.00879	4.1
111.04531	5.4
113.02489	0.7
115.03982	0.3
117.40421	0.4
123.25468	0.3
127.04044	1.0
129.01941	0.9
133.03008	0.4
134.03751	4.3
135.04535	2.2
136.01656	1.0
137.02461	2.2
143.03502	0.4
151.00360	1.6
151.03979	0.6
153.01939	0.4
155.03510	1.7
161.02431	0.5
163.00407	0.5
173.04552	23.0
174.03426	0.4
174.04886	1.5
177.01976	0.5
178.02728	0.7
179.03508	0.5
187.04074	0.5
187.07607	1.1
191.05612	32.3
192.05959	2.3
193.06131	0.9
211.04050	0.6
213.09238	0.9
227.03496	25.9
228.03804	2.0
229.05289	0.4
231.10243	1.5
233.06755	0.7
255.02989	36.9
256.03592	4.9
257.04257	0.9
257.08194	1.7
258.08429	0.6
275.09244	1.3
276.09589	0.6
284.03253	45.8
285.03970	16.2
286.04214	1.3
293.10233	2.0
327.05124	0.9
406.96622	0.4
410.34811	0.4
431.13702	0.9
432.13858	0.6
433.14099	0.7
437.14642	0.9
447.09329	100.0
447.73254	0.5
448.09726	8.0
449.09625	1.2
449.14798	8.1
450.09564	0.8
450.14911	3.4
451.15146	1.0
467.15594	46.8
468.15756	2.6
527.11890	0.8
612.81958	0.5
683.47729	0.5
723.22534	0.6
897.29321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58543	0.4
67.01889	4.7
69.03442	1.7
71.55765	0.5
81.03454	1.1
81.78845	0.3
83.01372	0.4
83.05021	1.2
85.02964	3.3
87.00872	8.4
93.03456	38.1
94.03806	1.3
97.06568	0.5
98.60221	0.4
99.00875	0.8
99.04505	0.5
101.02433	0.6
108.02190	0.5
109.02962	2.0
111.00883	3.6
111.04517	5.3
125.02457	0.5
127.04005	0.8
129.01927	0.6
133.02959	0.6
134.03741	4.5
135.04512	1.6
136.01628	0.9
137.02429	2.9
143.03517	0.4
148.13182	0.3
151.00291	1.9
151.03957	0.5
153.01907	0.6
155.03479	1.5
158.09041	0.3
173.04544	23.3
174.04893	0.9
175.03952	0.5
177.05600	0.4
178.02713	1.2
179.03441	0.5
181.04987	0.3
187.03995	0.4
187.07610	1.2
188.07961	0.5
191.05605	31.8
192.05978	3.0
193.06154	0.5
212.27646	0.4
213.09113	0.5
227.03485	24.7
228.03891	1.3
229.04994	1.2
231.06592	0.4
231.10210	1.0
233.06760	0.5
239.03488	0.6
255.02979	34.6
256.03568	5.1
257.04388	1.0
257.08121	2.0
258.08536	0.6
269.04556	0.5
275.09216	1.9
276.09561	0.5
284.03247	41.6
285.03961	16.1
286.04019	1.1
287.04086	0.4
293.10300	2.5
327.05170	0.8
431.13483	1.3
432.13895	1.0
433.13986	0.5
437.14688	0.6
447.09293	100.0
448.09653	8.2
449.09543	1.0
449.14685	8.3
450.09543	0.5
450.15253	2.6
451.15134	1.5
467.15570	44.9
468.15927	3.2
527.12024	1.1
582.86877	0.4
705.21906	0.5
783.84473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.372
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	0.6
69.03444	0.3
70.51447	0.4
71.01386	0.8
81.03471	0.3
83.05022	0.4
83.07566	0.1
85.02955	7.2
87.00881	1.9
93.03461	5.2
96.96027	0.5
99.00853	0.2
99.04508	0.5
101.02439	0.2
109.02961	0.8
111.00863	0.2
111.04520	1.5
113.02453	0.2
118.15598	0.1
125.02441	0.2
127.04016	2.1
133.02931	0.1
135.04547	0.2
137.02516	0.2
151.00371	0.3
155.03523	0.3
159.04550	0.3
161.02425	0.2
171.03032	0.7
172.05281	1.0
173.04555	3.5
173.06009	0.4
174.03210	0.2
174.06943	0.2
178.99791	0.2
183.04521	0.5
187.07649	9.1
188.07990	0.3
191.05612	100.0
192.05949	2.2
199.04034	0.7
200.04813	0.4
202.06300	0.3
204.04108	0.2
211.04070	0.2
211.07562	0.2
213.09209	1.3
214.06364	0.2
215.07123	1.7
225.11258	0.2
227.03500	1.2
228.04254	1.1
229.08743	0.6
231.10226	1.1
233.06641	0.1
246.05185	0.1
255.02980	0.4
255.06595	0.1
257.08188	15.7
258.08508	0.8
271.02332	0.7
275.09186	1.5
287.32059	0.1
294.72189	0.1
300.02811	1.8
301.03485	0.8
405.11896	0.4
431.13434	1.2
449.14542	15.0
450.15115	0.8
459.79016	0.2
463.08765	2.3
464.09515	0.1
479.21411	0.2
754.75153	0.1
913.30255	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14620	0.4
68.99793	1.2
69.03483	1.0
69.22903	3.7
70.17705	0.4
71.01384	19.5
72.99308	2.2
73.02940	6.9
75.00872	18.2
77.68476	0.4
81.03477	0.4
83.01387	4.2
85.02950	17.1
86.00089	1.5
87.00863	1.4
89.02448	2.0
95.01402	2.1
96.95966	0.6
97.02921	0.4
99.00881	17.7
101.02447	10.4
103.03988	0.7
111.00879	1.0
112.01695	0.5
113.02444	7.9
115.00348	0.5
129.01933	0.5
146.79190	0.4
157.01416	1.0
161.04593	0.7
169.09964	0.4
191.05638	0.5
252.63026	0.4
422.35068	0.4
911.50061	100.0
912.50305	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	907.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21652	1.5
69.22062	0.5
71.01382	9.1
72.99290	0.5
73.02950	0.8
83.01360	0.4
85.02942	1.6
87.00884	0.4
89.02447	7.8
93.03458	0.4
94.75552	0.2
95.01382	0.7
96.96002	0.5
99.00882	1.4
101.02443	6.7
102.86721	0.2
113.02450	3.3
119.03504	2.9
131.03473	0.7
133.02921	0.3
135.04507	0.2
137.02527	0.2
149.04504	0.4
159.63805	0.2
161.04646	0.2
163.11285	3.9
164.11513	0.2
173.04568	0.7
191.05618	2.3
203.54239	0.3
207.10257	8.3
208.10588	0.2
210.53647	0.2
213.03764	0.2
225.11290	0.3
240.37785	0.2
357.07968	1.0
369.15637	0.3
387.16605	100.0
388.16891	5.2
389.17120	0.4
519.12347	0.6
519.20795	14.5
520.21295	1.1
907.28632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
79.36749	0.1
93.03444	0.4
97.21555	0.2
98.19886	0.6
107.01376	0.5
117.03406	0.2
125.02448	0.2
125.26065	0.1
131.44324	0.2
134.13187	0.2
144.97635	0.2
150.72614	0.1
151.00374	1.5
153.01976	0.2
163.00381	0.3
174.03206	0.5
175.04001	0.2
175.18030	0.2
177.76157	0.2
178.99915	0.5
183.04510	0.3
191.05626	1.6
192.59985	0.2
211.04013	0.6
213.05598	0.2
227.03484	28.3
228.03807	1.1
229.05049	0.2
229.67763	0.2
239.03372	0.2
241.27742	0.2
243.03003	0.2
253.68918	0.2
255.02972	36.9
256.03632	4.1
257.04379	0.3
271.02368	0.2
277.40182	0.2
284.03247	41.9
285.03964	9.3
286.04337	0.5
300.02661	0.7
301.03549	0.3
327.04959	1.1
335.78867	0.2
447.09283	100.0
448.09616	6.2
463.08472	1.0
503.08493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30126	0.5
63.96233	2.2
64.97009	0.5
67.01895	1.7
68.99819	1.3
69.03454	9.1
71.01383	13.5
71.56335	0.7
72.99335	0.7
73.02938	3.1
75.00861	1.4
78.98595	8.5
79.95737	52.4
80.96519	85.0
81.03455	1.4
83.01381	1.1
85.02953	5.9
87.00887	5.9
89.02460	0.6
91.01048	0.4
93.03450	5.1
94.98089	18.6
95.01371	0.6
95.05040	1.3
96.96010	9.0
97.02949	5.7
99.00885	2.1
99.04517	1.1
101.02452	5.2
103.72529	0.4
105.03516	0.5
106.04195	0.6
106.98092	4.2
108.02180	1.0
109.02940	1.2
111.04521	0.9
113.02444	5.8
119.05044	0.9
120.99658	0.7
121.02968	1.0
121.06589	1.2
122.97598	4.5
123.04534	6.8
125.02457	3.7
127.03999	2.4
133.02905	0.7
134.03696	1.0
134.97586	7.8
135.04526	2.1
136.99104	1.9
137.02422	1.5
145.06352	0.5
146.97574	1.0
147.04546	0.7
148.99149	9.1
149.06104	3.6
152.98637	7.1
160.01657	1.4
161.02429	1.8
161.04552	3.6
163.04001	0.6
164.98637	17.8
165.00037	1.0
165.05496	0.6
167.00185	0.8
167.07143	0.8
173.04570	2.7
175.03998	1.3
179.03381	0.6
187.11310	0.8
187.71033	0.4
188.98730	0.6
191.03958	0.9
191.05626	11.3
191.42087	0.4
192.05910	0.5
193.05028	1.3
206.99687	3.4
223.06160	0.7
225.00737	26.8
226.01125	0.6
241.00279	4.5
275.43549	0.6
283.05035	0.6
299.04401	5.9
315.03854	1.3
317.05444	13.6
317.09186	0.7
326.08801	0.6
330.29556	0.5
352.78641	0.6
411.09964	0.6
413.11093	1.7
449.14740	1.0
471.11060	0.7
531.15155	0.6
549.16260	1.6
583.66254	0.5
677.20978	0.8
693.20972	1.5
791.23895	1.3
861.28253	2.2
887.26251	0.7
905.27545	100.0
906.27832	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	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30503	0.6
68.99574	1.2
69.03481	1.2
71.01382	13.3
71.55184	0.8
72.99326	1.4
73.02942	1.5
75.00847	0.7
79.95727	1.3
80.02688	1.1
81.03459	0.8
83.01388	1.7
83.05048	4.5
85.02964	3.2
87.00887	3.4
89.02446	11.6
96.95376	1.0
96.96017	21.9
97.02955	2.0
97.06587	0.7
101.02454	9.5
111.00851	0.8
112.98583	1.9
113.02465	5.9
119.03512	2.1
124.87558	0.6
125.02452	3.2
130.83664	0.7
131.03505	0.7
135.08231	0.7
143.03508	1.6
161.04535	2.0
163.11266	4.4
165.12886	2.0
166.61024	0.6
171.10291	1.1
179.05650	4.2
179.14291	0.7
181.12354	1.0
191.05565	1.6
191.10852	1.1
195.13901	5.5
209.11839	90.0
210.12187	3.5
211.13348	0.9
221.06627	1.7
223.13480	5.2
225.11301	0.9
227.12900	11.6
235.08215	4.5
251.13084	0.7
256.13150	0.8
265.21906	0.7
275.20200	6.1
287.07794	1.1
293.21249	100.0
294.21555	5.3
305.08875	1.8
323.09845	1.1
352.90469	0.6
358.14212	0.6
365.44556	0.6
369.24695	0.8
379.12500	4.4
387.29117	0.7
397.13501	35.8
398.13840	1.8
415.14514	13.9
431.28091	18.0
432.28278	1.7
589.23962	0.8
607.26080	2.6
673.34888	0.8
691.35297	1.8
876.08838	0.8
901.46588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	2.3
69.70049	2.6
69.70475	1.9
71.01398	2.5
73.02936	1.5
77.54231	0.7
80.55930	0.7
81.03456	2.0
83.05054	1.8
83.89398	0.7
85.02945	8.1
87.00883	3.6
93.03458	21.7
96.96007	3.1
99.00898	1.0
99.04522	25.8
101.02454	8.5
105.03500	0.8
107.05066	1.4
109.02966	6.0
111.00903	1.2
111.04534	9.5
123.04555	1.0
125.02440	2.7
127.04017	2.8
129.01872	1.0
133.02963	11.2
134.03705	2.8
135.04533	47.4
135.25070	0.8
136.04895	1.0
137.02448	9.4
143.03522	2.3
145.02936	1.0
155.03514	16.5
159.04524	2.0
161.02443	27.8
161.04558	32.8
163.04030	1.3
173.04556	61.1
174.04892	1.8
177.01965	2.1
179.03510	39.7
180.03876	1.1
191.05615	100.0
192.05957	3.3
193.05173	1.1
199.04059	1.2
211.07538	1.0
215.05635	2.0
219.06676	7.2
229.01488	1.5
233.06676	8.8
245.08255	0.9
251.07065	1.2
267.03000	1.8
271.58502	0.8
273.09732	2.2
309.07605	1.8
311.09305	1.3
317.08728	2.2
335.07474	19.6
339.08765	1.1
351.07193	3.3
353.08798	23.0
354.09149	1.2
359.11383	6.1
383.07657	1.0
395.09854	4.1
416.05527	1.2
435.12848	1.1
497.13089	17.8
498.13516	1.0
529.09930	1.0
547.16547	1.7
557.12927	1.0
581.14771	1.0
621.12305	2.7
665.11438	3.9
709.18671	2.2
721.19263	1.2
739.20819	1.1
757.22028	8.9
799.22784	1.7
901.26172	29.2
902.26886	3.7
934.74207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52094	0.7
67.01876	2.8
69.03473	0.8
71.01373	3.3
71.25945	1.5
73.02946	1.3
73.61765	0.8
81.03448	2.4
83.01356	0.9
83.05029	4.4
85.02955	7.6
86.82371	1.0
87.00871	4.6
89.02438	1.1
93.02863	1.2
93.03461	22.6
96.95990	2.6
99.04523	42.9
101.02444	13.2
109.02949	4.8
111.00849	1.7
111.04518	12.2
113.02422	1.0
119.03590	0.8
121.02924	1.7
125.02454	1.5
127.04008	4.3
133.02979	13.5
134.03699	2.5
135.04532	46.4
136.04868	1.1
137.02463	15.3
143.03557	0.9
146.03795	0.8
147.04489	1.7
155.03506	24.7
159.04480	3.9
161.02425	50.4
161.04543	59.6
162.02760	1.1
162.04915	1.3
163.04019	2.0
165.05576	0.8
165.66432	0.9
170.23796	0.8
173.04552	73.7
174.04837	1.2
179.03499	38.5
184.55916	0.8
185.06113	1.2
187.03964	1.0
189.05634	1.0
191.05617	100.0
192.05949	2.6
201.05670	1.0
203.03503	0.9
211.07617	1.9
219.06602	7.5
229.08669	0.8
233.06642	12.0
245.08215	1.3
249.71625	0.8
251.07156	2.1
255.06615	1.2
273.09833	2.2
293.29230	0.8
309.07651	1.5
317.08914	1.6
328.62283	0.8
335.07520	34.7
336.08206	2.3
341.10120	1.1
353.08786	15.8
354.09390	1.1
359.11295	1.5
383.07712	1.6
388.70267	1.0
395.09744	2.6
435.12927	2.9
497.12985	14.5
498.13687	1.6
516.00720	0.8
546.14502	1.0
547.16479	1.2
559.14526	1.9
566.49561	0.9
577.15863	2.1
583.16455	9.3
709.19824	1.8
721.20050	2.4
739.21234	7.2
757.22040	15.4
758.21796	1.6
799.22852	2.2
901.26221	31.1
902.26324	5.0
917.10559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57768	1.7
68.77230	2.2
71.01373	11.1
72.59138	2.0
73.02985	2.0
75.00869	4.8
80.96488	1.8
83.05014	3.0
85.02972	3.5
89.02468	10.4
101.02435	8.0
113.02462	6.1
125.02505	2.7
131.79659	1.8
136.48016	2.0
141.01720	2.6
149.70988	1.7
151.26308	1.7
161.04584	4.8
165.12836	2.8
179.05586	5.6
209.11829	100.0
210.12117	2.2
227.12874	22.5
235.08125	4.1
255.23280	40.0
277.21735	2.5
323.09879	2.9
376.24713	2.0
379.12399	18.3
397.13489	49.7
415.14743	10.1
589.25134	9.9
607.26111	13.1
635.36505	6.0
653.37469	6.8
845.48883	5.8
863.49634	2.6
899.47723	49.2
900.47998	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	899.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.4
67.01892	9.6
68.02222	0.2
69.03455	2.3
69.22147	1.9
71.01378	3.3
71.05021	0.3
71.42359	0.2
73.02941	0.3
81.03451	2.0
83.05007	1.3
83.36877	0.2
85.02953	2.0
87.00878	12.5
90.32338	0.2
90.85184	0.2
93.03458	70.8
94.03810	1.7
96.96017	1.0
97.02966	0.4
98.20672	0.4
99.00897	1.3
99.04507	1.4
105.03490	0.4
105.77505	0.2
108.02187	0.4
109.02962	0.9
111.00913	0.3
111.04527	9.2
112.04838	0.3
113.02449	1.0
115.04041	0.4
117.03477	0.4
119.04970	0.2
121.02927	0.2
123.04557	0.3
124.01688	0.3
125.02441	0.4
127.04052	0.6
129.01942	1.7
132.02156	0.4
133.02972	2.2
134.03746	4.9
135.04532	6.2
137.02437	1.3
143.03506	0.5
150.03262	0.5
151.04028	0.8
155.03503	2.3
160.01672	1.4
161.02405	0.6
162.03212	1.4
173.04546	37.5
174.04933	0.7
175.03949	0.2
177.01910	0.4
178.02695	0.4
179.03508	1.6
187.07626	0.6
191.05605	15.6
192.05954	0.5
215.07199	0.6
231.10243	3.8
248.40886	0.2
257.08240	0.6
266.95193	0.2
275.06229	0.3
275.09225	5.1
276.09650	0.2
307.08203	0.4
308.09039	0.7
351.07178	0.7
352.07870	1.4
353.08783	0.3
449.14511	100.0
450.14862	7.4
466.33310	0.2
551.19714	0.3
792.46161	0.3
802.24438	0.2
899.29785	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03988	0.3
67.01891	9.8
68.02261	0.2
69.03450	2.5
71.01384	3.7
71.05009	0.4
73.02942	0.5
81.03458	2.0
83.05025	1.4
85.02951	3.5
86.90614	0.2
87.00333	0.5
87.00876	13.4
93.03458	72.6
94.03771	1.6
96.96000	0.6
97.06610	0.3
98.20742	0.6
99.00884	1.7
99.04511	1.3
101.02432	0.5
105.03467	0.8
109.02962	1.0
111.04519	10.6
113.02451	1.1
115.03993	0.8
117.03442	0.3
124.01685	0.5
127.04020	1.0
129.01947	1.8
133.02968	2.6
134.03740	5.3
135.04530	7.1
137.02451	1.0
143.03481	0.5
150.03200	0.4
151.04012	1.0
155.03496	2.2
160.01680	1.0
161.02489	0.5
162.03227	1.3
173.04544	35.0
174.04889	0.9
177.01897	0.4
179.03502	2.0
187.07655	0.9
191.05609	22.9
192.05980	0.6
212.48180	0.3
215.07181	1.6
231.10245	3.5
257.08167	1.2
275.09238	5.3
307.08224	0.4
308.08997	0.6
316.24384	0.3
351.07169	0.6
352.07962	1.9
449.14508	100.0
450.14853	8.6
451.15167	0.4
463.11072	0.6
772.87579	0.3
899.29553	3.4
900.29608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98514	1.9
67.01898	9.4
69.03444	3.0
70.52009	1.4
71.01381	5.7
81.03432	2.7
81.64744	1.2
83.05014	4.0
85.02958	8.6
85.79000	1.3
87.00880	16.8
93.03461	83.2
96.95993	1.9
98.20653	3.0
99.00865	2.2
99.04517	2.9
101.02423	3.1
109.02953	1.2
111.04515	12.7
113.02425	2.8
114.08499	1.1
114.57920	1.5
127.98413	1.3
129.01981	1.8
134.03767	6.8
135.04532	10.9
140.97810	1.2
145.02840	1.4
151.03993	1.5
155.03516	3.1
161.02435	2.3
162.03206	5.7
173.04541	38.0
179.03539	2.5
191.05615	58.0
192.05930	6.4
209.11804	16.7
209.31119	1.4
210.12202	6.7
211.12274	4.7
227.12929	2.3
228.04178	1.8
257.08017	1.7
275.09323	6.6
352.07858	4.6
397.13467	2.0
419.40222	1.3
449.14542	100.0
463.11142	1.5
606.20190	1.6
706.22375	2.2
842.96765	1.4
844.66858	1.5
898.40485	2.6
899.29114	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.9
71.01382	100.0
71.46864	3.1
72.99277	2.7
73.02943	5.2
75.00866	1.5
76.69451	1.3
78.95895	3.7
79.14739	1.3
79.95751	1.3
80.96500	2.1
83.01357	2.8
85.02951	6.3
87.00880	9.7
89.02441	19.9
94.70741	1.3
95.01386	3.1
96.95955	2.1
97.02940	4.6
99.00854	2.5
101.02445	20.1
103.41676	1.4
109.06588	7.8
113.02447	10.3
119.03487	4.5
125.02420	5.3
125.09702	3.6
127.11233	1.5
133.98436	1.5
143.03473	4.4
155.10817	1.5
161.04495	3.2
163.11273	4.4
171.10271	54.4
179.05563	5.3
181.12352	3.1
199.09749	13.6
201.11328	13.4
207.10234	27.5
221.06685	2.7
225.11293	13.6
235.08224	8.4
243.12312	3.0
255.23282	87.3
256.23636	4.5
276.48911	1.7
279.23276	18.4
280.23651	14.8
281.23810	5.3
287.07697	1.5
305.08698	2.0
379.12302	6.3
397.13449	45.6
398.13766	3.2
415.14740	9.0
447.24908	4.1
448.25687	8.6
449.25592	5.3
605.24463	2.5
623.24713	2.5
653.37329	1.9
698.05237	1.8
835.47247	2.8
861.48883	12.2
862.48505	3.1
879.49481	4.6
897.50775	16.4
898.50623	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	897.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53990	4.0
71.01374	11.0
71.54192	5.0
75.00901	5.1
89.02428	5.6
94.87220	4.5
99.00899	4.6
101.02444	5.7
102.40789	3.7
113.02441	5.2
181.12375	9.0
207.10228	28.6
209.11797	5.4
221.62497	5.3
225.11334	38.5
235.08453	5.0
246.13373	4.3
246.22563	4.6
255.23341	36.4
334.54831	4.6
397.13419	19.2
398.14172	4.1
452.31323	5.8
516.89685	4.4
571.56567	5.1
605.24731	12.8
623.25360	7.5
861.48450	88.7
862.48969	15.4
897.29370	7.2
897.46399	100.0
898.47308	15.4
920.30548	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	897.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52650	0.6
68.99816	0.8
69.03466	1.2
70.04452	3.3
71.01382	100.0
72.01718	1.6
72.99306	2.7
73.02928	4.3
75.00879	1.2
81.03449	2.1
83.01382	2.6
83.04995	0.8
85.02941	5.8
87.00883	6.2
89.02448	20.1
89.03011	1.2
95.01394	2.1
97.02940	5.5
97.06579	0.7
99.00893	3.7
101.02446	14.0
109.06603	4.8
111.00885	0.9
111.04504	0.8
111.45074	0.7
113.02454	8.5
119.03492	4.7
121.06598	1.1
125.02449	8.6
125.09720	1.9
127.11285	2.4
131.03433	0.8
139.04033	0.9
143.03470	3.0
153.09225	0.8
155.10738	2.1
161.04584	4.0
163.11279	4.6
167.03571	0.7
168.99930	0.6
171.10268	47.9
172.10619	2.2
174.96959	0.7
179.05620	4.5
181.08711	1.3
181.12379	1.7
185.11870	1.2
191.05621	1.2
199.09737	10.7
201.11308	14.3
207.10245	21.2
208.10655	1.0
209.11784	0.7
215.13023	1.0
217.07141	1.3
221.06660	1.7
225.11334	12.0
226.11592	0.8
235.08182	6.4
243.12364	2.1
253.09297	1.0
255.23288	73.3
256.23621	3.5
263.07797	0.9
280.41373	0.7
287.07819	2.0
305.08871	1.9
311.22336	0.8
379.12460	5.8
397.13504	45.6
398.13947	2.4
415.14594	9.5
579.22638	0.8
597.24701	1.1
605.25171	0.8
623.25586	1.7
653.37903	2.3
756.09326	0.9
835.46985	3.7
836.48010	1.4
861.48541	13.6
862.48431	3.5
879.49915	3.6
897.50647	11.0
898.51495	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	897.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95464	0.2
65.03961	0.8
67.01893	9.3
69.03454	2.6
71.01388	4.0
73.02937	0.7
73.84036	0.3
75.86738	0.3
77.03915	0.3
77.34267	0.4
79.95737	0.3
81.03462	1.9
83.01405	0.2
83.05020	1.9
85.02958	3.6
85.13754	0.2
87.00879	14.0
89.02481	0.3
93.03460	76.3
94.03790	1.7
96.96013	1.5
99.00891	1.8
99.04516	1.5
101.02464	0.6
105.03478	0.7
109.02953	1.1
111.00900	0.4
111.04524	9.5
113.02448	1.4
115.00337	0.3
115.04064	0.6
117.03436	0.3
121.02991	0.3
127.04006	0.9
129.01898	1.6
133.02959	2.1
134.03738	4.7
135.04543	4.9
137.02454	1.1
143.03476	0.9
149.02464	0.3
151.04031	0.5
153.01982	0.4
155.03531	2.1
160.01634	0.9
161.02449	0.9
162.03207	1.7
171.02972	0.3
173.04549	33.3
174.03281	0.4
174.04860	0.9
177.02028	0.3
179.03548	1.1
187.07635	0.6
191.05608	22.3
192.05954	0.7
203.03537	0.3
209.11754	0.5
229.53889	0.4
231.10255	3.4
243.07043	0.3
255.06628	0.3
257.08163	0.7
275.09250	5.7
275.12021	0.5
300.02771	0.3
325.06958	0.3
351.07324	0.7
352.08038	1.1
433.09384	0.4
449.14517	100.0
450.14880	7.7
463.10889	1.5
531.16748	0.6
581.16833	0.7
705.21722	1.5
800.21118	0.5
897.27692	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.9
69.03453	0.5
71.01405	1.0
71.55963	0.3
73.02948	0.4
73.34448	0.2
81.03456	0.4
83.05025	0.4
85.02949	8.9
85.40786	0.2
87.00874	3.0
87.19421	0.2
91.39790	0.2
93.03459	10.1
96.96017	0.4
99.00891	0.3
99.04504	0.7
101.02426	0.3
109.02967	1.1
111.04525	1.8
113.02401	0.3
125.02497	0.2
127.04012	2.2
134.03749	0.3
137.02402	0.4
143.03566	0.4
151.00356	0.8
153.01968	0.4
155.03502	0.4
159.04507	0.3
171.02988	0.7
171.04436	0.3
172.05299	0.7
173.04544	7.8
173.06030	0.5
174.03229	0.7
177.01949	0.5
183.04483	0.3
184.05249	0.2
187.04015	0.3
187.07637	3.5
191.05602	100.0
192.05934	2.5
197.05965	0.3
198.06837	0.2
199.03929	0.3
209.11795	0.2
211.04047	0.3
211.07704	0.2
213.05536	0.2
213.09163	2.3
215.07120	0.9
227.03482	8.7
228.03824	3.8
229.03923	1.4
229.08673	0.5
231.10271	2.8
233.06595	1.2
240.03963	0.3
255.02982	11.2
255.06555	1.2
256.03366	6.2
257.03931	2.4
257.08154	11.9
258.08575	0.6
275.09283	1.0
276.12454	0.2
284.03247	14.2
285.03729	8.7
286.03946	4.0
287.04535	0.7
327.05151	0.3
405.11951	0.3
431.13437	9.7
432.13843	0.9
447.09262	20.5
448.09637	13.8
449.09769	10.0
449.14725	6.7
450.09961	0.5
450.14993	0.5
463.11087	0.2
480.31213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.9
69.03453	0.5
71.01405	1.0
71.55963	0.3
73.02948	0.4
73.34448	0.2
81.03456	0.4
83.05025	0.4
85.02949	8.9
85.40786	0.2
87.00874	3.0
87.19421	0.2
91.39790	0.2
93.03459	10.1
96.96017	0.4
99.00891	0.3
99.04504	0.7
101.02426	0.3
109.02967	1.1
111.04525	1.8
113.02401	0.3
125.02497	0.2
127.04012	2.2
134.03749	0.3
137.02402	0.4
143.03566	0.4
151.00356	0.8
153.01968	0.4
155.03502	0.4
159.04507	0.3
171.02988	0.7
171.04436	0.3
172.05299	0.7
173.04544	7.8
173.06030	0.5
174.03229	0.7
177.01949	0.5
183.04483	0.3
184.05249	0.2
187.04015	0.3
187.07637	3.5
191.05602	100.0
192.05934	2.5
197.05965	0.3
198.06837	0.2
199.03929	0.3
209.11795	0.2
211.04047	0.3
211.07704	0.2
213.05536	0.2
213.09163	2.3
215.07120	0.9
227.03482	8.7
228.03824	3.8
229.03923	1.4
229.08673	0.5
231.10271	2.8
233.06595	1.2
240.03963	0.3
255.02982	11.2
255.06555	1.2
256.03366	6.2
257.03931	2.4
257.08154	11.9
258.08575	0.6
275.09283	1.0
276.12454	0.2
284.03247	14.2
285.03729	8.7
286.03946	4.0
287.04535	0.7
327.05151	0.3
405.11951	0.3
431.13437	9.7
432.13843	0.9
447.09262	20.5
448.09637	13.8
449.09769	10.0
449.14725	6.7
450.09961	0.5
450.14993	0.5
463.11087	0.2
480.31213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33997	7.1
71.01009	1.0
71.01389	16.8
73.02952	1.9
78.95923	1.0
80.02673	1.0
80.74013	0.7
81.03455	2.0
83.01417	1.0
83.05034	4.4
85.02942	3.0
87.00867	3.6
88.98840	1.2
89.02444	12.7
89.05278	0.8
97.02943	3.3
98.20712	1.3
101.02460	11.3
111.00924	1.0
113.02460	7.6
119.03516	4.3
125.02441	5.0
143.03506	1.6
145.05051	1.0
161.04504	2.7
163.11281	3.5
165.12828	2.1
179.05624	3.0
191.10843	1.1
209.11838	100.0
210.12167	2.5
217.07216	1.0
227.12898	12.6
235.08296	4.7
248.66945	0.9
255.23308	59.1
256.23657	2.4
287.07794	2.9
305.08856	2.0
379.12552	11.5
397.13513	39.2
398.13828	2.0
407.81555	0.9
415.14664	7.2
589.24994	2.4
607.26062	2.6
635.36389	1.7
645.91083	0.9
648.86554	0.9
653.37402	4.8
743.20282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83882	0.1
71.11540	0.1
71.11885	0.1
78.95870	0.1
79.95743	3.4
96.96014	100.0
97.95953	0.2
168.80759	0.1
173.35634	0.1
183.47922	0.1
539.24194	0.1
793.43488	0.4
794.43726	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43417	0.7
65.03967	1.6
67.01867	1.1
68.99816	12.8
69.41235	5.2
71.01391	4.8
73.02943	0.8
80.67130	0.7
83.01412	1.1
85.02950	4.2
87.00876	0.9
89.02443	3.2
91.05533	2.4
93.03462	100.0
94.03747	1.5
95.01422	0.8
96.96018	2.3
101.02435	2.8
107.05037	27.6
108.02181	1.9
108.05322	0.8
109.02977	0.8
113.02446	2.7
117.03471	1.3
119.05033	18.9
120.05344	1.0
121.02952	3.1
123.04517	1.0
125.66315	0.7
133.02968	1.0
134.03714	2.5
135.00908	1.8
135.04535	25.7
136.01675	9.4
137.02449	95.7
137.06056	8.6
138.02769	1.6
145.03003	1.0
149.02492	1.4
151.03998	3.5
152.01154	1.5
161.02444	7.1
161.06032	1.2
163.04015	35.4
163.05402	1.7
173.04532	0.9
175.03986	0.8
178.02623	1.0
179.03502	35.4
181.05052	14.8
191.05618	10.4
192.06006	0.8
193.05028	2.7
195.06589	0.8
207.02991	97.2
208.03305	2.9
209.04553	6.1
223.06018	1.4
224.32608	0.9
239.05611	41.2
240.05952	1.9
258.23605	0.7
262.86282	0.8
281.06656	9.4
299.07675	6.4
314.73840	0.9
343.10321	3.8
463.12482	68.8
464.12634	5.5
507.11462	58.1
508.11752	4.7
765.48676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	1.5
69.03438	0.9
70.11615	0.3
70.83315	0.3
71.01385	16.0
71.12909	0.8
71.13268	0.4
72.99310	1.4
73.02953	2.3
80.02698	1.0
80.96517	0.7
81.03456	2.0
83.01394	1.7
83.05033	4.2
84.02187	0.8
85.02955	4.2
86.21417	0.4
87.00886	4.0
89.02447	12.5
91.21968	0.4
93.03477	0.7
94.98090	0.4
95.01402	1.3
95.05030	0.8
97.02959	3.1
99.00880	1.1
101.02441	11.3
109.02962	0.6
113.02460	7.6
119.03529	4.1
121.01987	0.3
125.02461	5.4
125.06112	0.4
125.09695	0.4
127.03976	0.4
131.03519	0.8
135.08186	0.6
143.03499	2.3
149.04526	0.5
149.98795	0.4
161.04575	2.9
163.11290	3.3
165.12863	2.3
179.05574	2.3
181.12349	0.5
191.10771	0.7
198.79150	0.4
205.24321	0.4
209.11826	100.0
210.12167	3.3
217.07133	1.0
221.06648	1.4
225.00746	0.4
226.60158	0.4
227.12892	11.5
228.13199	0.4
235.08228	4.7
251.13008	0.4
253.09319	0.6
255.23209	0.4
259.08331	0.6
263.07657	0.5
281.24854	58.0
282.25287	4.0
287.07693	1.4
305.08820	1.6
323.10056	0.7
344.56433	0.4
379.12445	7.4
380.12906	0.6
397.13516	39.2
398.13916	1.5
415.14612	8.2
495.67468	0.4
497.13263	0.4
589.24884	0.9
607.25775	1.0
661.38208	0.6
679.38843	2.1
803.00122	0.4
871.50934	0.7
889.51245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03262	1.5
69.03473	2.2
70.75085	4.2
71.01389	21.3
72.99291	3.9
73.02940	3.1
76.43287	1.6
79.95718	1.6
80.02675	2.0
81.03451	7.0
83.01384	3.2
83.05007	5.7
85.02942	6.9
87.00883	7.6
89.02449	13.6
93.03453	4.7
95.01376	2.6
95.05032	1.6
96.96022	21.5
97.02969	12.5
97.06614	1.6
98.95463	1.5
99.00890	2.7
99.92612	1.7
101.02457	13.6
107.05007	1.4
109.06599	53.6
110.03726	1.8
111.00876	3.7
113.02437	9.3
116.92872	12.6
119.03506	3.2
121.06558	2.5
123.08126	1.7
125.02447	3.9
125.09716	6.4
135.04553	1.8
135.08157	5.5
136.05312	3.4
142.02670	4.5
143.03494	1.5
161.04559	3.5
161.06079	1.6
161.09715	4.5
163.11279	24.2
173.04543	2.6
179.05573	3.2
181.12369	9.1
189.09160	2.9
191.05565	7.5
197.11852	2.5
205.16866	1.6
207.10271	100.0
207.17856	1.5
208.10568	2.8
209.11800	12.0
221.06676	4.0
223.09818	3.1
223.13464	1.5
225.11320	56.3
226.11768	2.2
235.08147	3.1
263.12848	2.2
369.20767	2.0
371.22345	2.3
397.13428	15.3
397.20071	4.3
415.14478	6.4
415.21155	8.3
433.22128	4.1
605.24628	4.0
623.25507	9.5
623.34381	1.5
769.32928	11.1
785.35944	3.6
787.33917	16.4
788.34399	2.9
795.34692	15.8
796.35358	1.8
813.35541	69.5
814.35596	10.2
831.21521	3.0
831.36554	45.1
832.36841	5.7
842.12762	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01887	0.3
69.60410	0.9
71.01380	0.5
71.58331	0.1
73.02931	0.2
83.05029	0.2
84.49055	0.1
85.02957	5.5
87.00871	0.9
93.03468	2.5
109.02969	0.6
111.04527	0.8
127.04009	1.5
133.03015	0.8
135.04536	1.2
143.03453	0.2
148.07211	0.1
161.02457	1.7
171.03015	0.5
173.04552	1.5
179.03516	0.9
183.75044	0.1
191.05614	100.0
192.05948	1.9
351.07291	0.3
353.08780	17.7
354.08981	0.7
392.30179	0.1
466.39575	0.1
589.78937	0.2
889.86609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01910	0.2
69.03484	0.1
69.29031	0.4
69.29444	0.3
71.01376	0.4
73.02947	0.2
81.03445	0.2
83.05027	0.3
83.70557	0.1
84.69888	0.1
85.02945	5.6
86.03325	0.1
86.33827	0.1
87.00864	1.3
93.03456	2.2
99.00929	0.1
99.04501	0.2
101.53671	0.1
109.02950	0.4
111.04530	0.7
113.02457	0.1
127.04012	1.7
133.02954	0.7
135.04510	0.9
137.02449	0.1
139.44481	0.1
153.01820	0.1
155.03545	0.2
161.02425	1.7
171.02971	0.4
173.04536	1.0
179.03487	0.7
191.05600	100.0
192.05943	2.3
351.07639	0.2
353.08731	17.6
354.09070	0.9
490.27945	0.1
790.10468	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	887.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	1.1
62.26576	0.5
65.03958	1.1
67.01892	11.8
68.99817	17.2
69.03456	1.5
69.24588	5.7
71.01382	25.1
72.99304	5.4
73.02938	2.3
74.74397	0.5
75.00875	13.0
79.37612	0.5
79.95728	0.6
80.02682	5.0
80.96518	0.8
81.03449	2.0
83.01381	2.0
83.05023	1.2
84.02168	1.0
85.02953	24.7
87.00873	8.1
89.02451	5.3
93.03443	4.5
95.01396	5.6
95.05032	1.2
96.96009	8.2
97.02944	1.1
98.95573	1.7
99.00874	9.6
99.04530	4.1
101.02443	20.3
103.00361	2.6
105.03417	0.9
107.05019	1.9
109.02956	15.7
111.00873	1.4
111.04524	1.3
112.01687	1.1
113.02451	22.7
115.00377	0.9
117.01933	1.1
117.03448	1.3
119.05034	2.1
121.02953	6.7
121.06565	0.9
123.04520	1.7
127.04018	24.7
128.04373	0.8
129.01935	1.5
131.03439	0.9
133.02953	3.4
133.06593	1.2
135.04523	3.9
135.08202	0.7
137.02414	0.9
145.02925	1.9
147.04492	1.3
149.02411	0.6
151.03979	1.6
153.05569	1.3
157.01392	1.0
161.02475	6.5
161.04585	1.2
163.04027	1.2
165.05566	4.9
173.02423	1.0
173.04575	1.4
175.02457	2.1
177.02071	0.6
177.05507	1.9
179.03464	1.3
189.12857	15.0
190.13240	0.9
191.03500	3.8
191.05574	7.4
193.05002	2.4
205.05020	1.7
205.07132	2.5
207.13905	4.7
209.11836	4.1
210.12195	1.0
223.06168	0.7
223.08310	0.7
225.11191	0.7
231.05122	1.0
231.13820	1.6
233.11777	2.4
241.07097	1.6
249.06168	6.6
251.12869	4.3
267.07205	16.8
275.12677	0.7
285.03787	0.8
345.11829	1.1
397.13574	0.8
439.19772	7.0
449.14847	1.3
483.18658	2.0
501.19815	0.9
561.23114	3.5
579.24054	1.2
645.24371	0.7
682.02863	0.6
746.59222	0.8
750.44611	0.7
855.29309	1.3
869.30914	0.8
887.31836	100.0
888.32147	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	883.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	0.8
64.89236	0.3
69.36349	1.8
71.01376	0.9
72.63757	0.2
85.02966	0.6
85.96510	0.3
88.98811	100.0
89.99114	0.5
96.96014	3.6
99.00880	0.4
135.04527	0.5
161.04533	0.3
186.19514	0.3
191.05632	1.0
295.20532	0.3
387.18390	0.3
411.63696	0.4
460.39078	0.3
629.32062	0.3
780.62866	0.3
793.43933	6.3
794.44031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	8.8
68.99815	11.8
69.03436	2.5
71.01384	36.3
71.55954	1.4
72.99296	6.8
73.02924	2.6
75.00876	18.1
79.95705	1.4
81.03442	3.8
81.66286	0.7
83.01384	3.0
83.05005	1.7
85.02953	35.7
87.00882	14.4
89.02444	8.8
91.03978	0.9
93.03458	11.0
95.01392	7.1
95.05012	1.2
96.96011	11.7
97.02929	1.4
99.00885	13.9
99.04510	3.0
101.02451	19.4
103.00372	3.3
107.05032	4.1
109.02954	14.4
111.00867	3.8
111.04565	2.1
112.01657	1.2
113.02454	43.3
115.00365	2.1
117.01925	2.6
117.03425	1.3
119.03505	1.3
119.05023	2.6
121.02976	4.9
121.06544	0.8
123.04524	3.7
125.02448	1.6
127.04020	20.2
129.01918	2.3
131.03506	1.9
133.02950	3.7
133.06635	1.7
134.03777	1.1
135.04515	4.6
137.02454	1.8
139.00349	0.9
139.04005	1.7
143.03461	1.0
145.02925	2.2
147.04483	1.7
149.02425	0.9
149.04532	0.9
149.06075	1.2
150.03220	1.2
151.03990	1.4
153.05588	1.4
157.01378	1.4
161.02480	6.0
161.04536	1.8
161.13374	14.3
165.05573	5.7
167.03450	1.9
173.02435	1.0
173.04572	4.7
175.02473	1.6
177.05565	1.2
179.03453	1.1
187.11293	13.5
191.01945	0.8
191.03511	3.0
191.05586	15.0
192.05989	0.9
193.04979	2.7
201.11284	2.9
205.05338	1.4
205.07146	5.9
205.12341	17.8
206.12746	1.3
207.05063	1.4
207.10254	1.1
209.11848	10.2
213.09123	1.4
223.06145	1.4
225.11295	1.4
227.12828	1.7
231.10263	2.0
241.07210	1.9
249.06155	11.6
249.11351	1.2
255.02997	2.1
267.07202	47.2
268.07489	1.4
271.02515	2.8
285.04117	1.1
300.02560	4.5
301.03433	2.9
393.19171	1.2
397.13547	1.9
437.18109	2.4
449.14337	4.5
450.14688	1.0
467.15173	1.2
470.11493	0.9
481.17303	5.4
559.21021	1.6
609.14569	3.6
885.30225	100.0
886.30627	13.6
888.45605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4021
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.98833	1.0
67.01863	0.8
69.03459	6.8
70.69171	2.0
71.01005	1.1
71.01382	20.2
71.05022	2.4
72.99311	2.6
73.02937	2.7
75.00856	1.2
79.95751	0.9
80.02669	1.3
81.03452	2.7
83.01395	3.3
83.05029	8.8
84.02164	1.2
85.02494	1.1
85.02941	7.4
87.00880	4.0
88.98814	1.7
89.02444	13.1
93.03464	3.8
95.01367	1.2
95.05006	1.9
96.96023	3.9
97.02981	3.7
97.06564	1.5
99.00874	1.8
101.02446	12.3
101.26275	0.6
107.05040	0.8
109.02943	0.9
111.00903	0.9
111.04534	0.8
113.02451	6.4
119.03518	3.1
123.08160	1.0
125.02458	4.0
125.06110	0.8
125.09698	2.9
135.04585	1.1
135.08160	0.8
143.03522	1.2
151.00298	1.3
151.11293	3.3
153.12857	1.5
161.04562	2.0
161.09720	5.5
163.11298	5.9
165.12833	3.0
169.76431	0.7
173.04552	1.9
175.03934	0.9
179.05666	1.5
179.10767	8.2
181.12305	0.9
191.05612	11.3
191.10718	1.0
197.11823	73.5
198.12074	2.8
200.13538	0.7
209.11816	76.3
210.12148	4.1
221.06619	3.1
223.09758	2.3
227.12793	4.5
235.08160	1.5
237.14949	0.9
241.10793	5.1
255.02963	2.3
255.06537	1.8
271.02454	1.8
285.03979	1.9
300.02676	2.5
301.03482	0.9
397.13367	2.8
400.00705	0.7
415.14557	1.0
449.14566	0.8
551.02716	0.7
593.14905	1.5
609.14746	1.2
639.24664	1.6
703.67987	0.8
849.37561	100.0
850.37769	14.4
881.40253	61.9
882.24805	0.8
882.40961	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	883.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01873	0.4
68.99810	0.3
71.01385	11.5
71.56317	0.2
72.01726	0.2
72.99319	0.8
73.02949	3.3
75.00895	0.2
83.01394	2.9
85.02956	5.7
86.00113	0.7
87.00870	1.4
89.02451	5.4
93.03475	0.3
95.01399	1.1
96.96021	0.3
99.00887	1.4
101.02445	12.2
108.02193	0.3
109.02946	0.3
111.00880	3.8
113.02449	4.9
119.03510	2.3
123.04525	0.2
129.01897	0.2
130.53831	0.2
137.02339	0.2
150.03227	0.8
152.01149	0.5
159.02985	0.6
161.04530	0.8
165.05560	0.7
165.09174	0.5
167.03490	0.7
173.00891	0.4
173.04591	0.5
178.13855	0.2
183.10258	2.3
191.05614	2.5
195.06546	0.5
201.11328	0.5
225.22395	0.2
285.04095	0.2
311.44586	0.2
315.08679	0.4
333.15552	1.3
345.15536	21.4
346.15936	2.1
347.15955	0.3
363.16605	100.0
364.16925	9.5
364.21503	0.5
365.17120	2.8
608.13770	0.4
709.35052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.6
68.99813	0.6
69.03453	4.3
70.67837	0.9
71.01379	12.2
71.05027	1.2
72.99312	0.7
73.02950	1.9
75.12493	0.3
81.03458	0.6
83.00966	0.3
83.01399	1.4
83.05055	0.4
85.02934	2.9
87.00898	1.8
89.02441	7.7
95.01411	0.9
95.05049	0.4
97.02956	2.2
97.06606	0.5
99.00889	1.2
101.02441	7.5
108.02191	0.4
109.02897	0.6
111.04540	0.5
113.02456	3.4
116.92868	0.8
119.03533	1.9
123.08183	1.0
125.02425	1.8
125.09715	1.9
143.03476	0.8
149.04594	0.4
151.11266	2.1
153.12851	0.8
161.04500	0.8
161.09737	2.8
179.05539	0.4
179.10759	5.0
180.22560	0.3
185.04425	0.3
197.11824	33.3
198.12195	1.1
221.06644	1.3
223.09720	0.7
235.08235	1.2
241.10858	2.2
255.23286	44.8
256.23584	2.0
295.76981	0.4
341.88403	0.3
379.12399	0.5
397.13571	1.6
415.14642	0.7
437.80060	0.3
577.16931	0.4
641.19781	0.4
767.55774	0.4
796.18567	0.4
877.47974	100.0
878.48267	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	879.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.3
70.67834	2.3
70.68210	2.0
71.01381	21.1
71.05019	2.4
72.99294	1.7
73.02934	3.2
78.95889	1.3
83.01374	2.2
85.02969	4.4
85.94408	1.0
87.00871	2.2
89.02438	12.3
95.01364	1.5
96.96011	2.8
97.02946	4.3
97.06583	2.0
99.00895	10.6
101.02443	10.7
109.02980	1.3
109.06549	2.5
111.04506	1.2
113.02476	5.6
113.17527	1.0
119.03484	4.3
123.08178	1.6
125.02446	4.0
125.09705	5.9
127.11295	1.3
142.02658	1.2
143.03490	1.3
161.04576	2.6
161.37131	1.0
163.11298	6.8
171.08817	1.5
171.10262	14.7
179.05606	1.9
179.34384	1.0
181.12341	11.9
199.13383	7.9
201.11392	2.8
207.10262	28.1
221.06625	2.5
225.11316	38.2
226.11745	1.6
235.08218	2.6
243.12350	7.4
255.23296	62.2
256.23648	3.4
262.55978	1.0
305.08414	1.5
379.12451	4.1
397.13522	15.4
398.13794	1.9
415.14484	2.5
551.23425	1.3
605.24335	3.2
623.25842	1.3
635.35370	2.3
653.37549	1.6
664.97656	1.6
835.47656	1.6
861.48169	13.3
862.49078	2.2
879.49603	100.0
880.49628	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	875.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	2.2
71.56457	0.4
72.99298	0.4
73.02934	0.4
75.00880	0.9
79.95750	3.0
80.96512	1.4
83.01390	0.3
85.02970	3.0
87.00901	0.3
89.02444	1.0
90.56522	0.3
93.03439	0.7
95.95267	0.8
96.96016	62.8
97.02955	0.3
99.00896	0.9
101.02438	0.9
113.02440	0.5
115.04051	0.4
119.05015	0.3
120.20757	0.3
129.01944	1.6
133.02954	0.3
135.04449	0.4
138.97058	1.0
150.97070	0.4
152.98631	0.9
159.03072	0.3
159.80609	0.3
161.02385	0.6
164.98744	0.3
165.05516	0.4
168.98112	0.8
173.04617	0.5
176.98607	0.4
177.04060	5.1
179.03659	0.3
180.98164	0.3
187.56702	0.3
191.05621	4.1
192.05956	0.3
194.99644	1.1
209.44350	0.2
213.00749	0.5
225.11328	0.4
241.00185	2.2
245.91682	0.3
256.99728	29.8
257.99997	0.8
271.02631	0.3
300.02637	0.7
301.03363	0.5
363.07556	0.8
411.13309	100.0
412.13681	6.8
449.14105	0.5
463.08722	1.0
567.35858	0.4
594.15753	0.3
875.31281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	4.6
69.03463	3.2
70.68905	4.5
70.69240	3.1
71.01388	29.2
72.99310	2.5
73.02968	2.6
80.02726	3.0
81.03444	3.4
83.04999	3.2
85.02953	9.5
87.00878	7.6
88.98818	27.0
89.02459	23.2
91.82382	2.0
93.03484	3.2
93.56077	1.9
95.01403	2.3
95.05087	2.2
96.96015	23.2
97.02946	14.0
97.06614	2.2
99.00903	5.2
101.02441	21.0
107.05058	2.3
107.23759	2.2
109.06604	34.7
110.03718	1.9
111.00861	3.4
113.02449	12.3
119.03479	6.0
125.02466	6.6
125.09694	6.1
135.04541	4.3
135.08174	4.0
136.05330	2.8
141.01962	2.8
142.02711	3.9
143.03491	2.6
161.04556	6.0
161.09746	2.6
163.11298	17.9
179.05539	3.7
181.12303	6.1
183.13899	9.9
187.09843	4.1
191.05580	11.0
207.08337	4.5
207.10262	81.9
208.10609	4.5
209.11801	8.4
211.13391	100.0
212.13699	3.3
221.06717	3.3
225.11327	38.5
235.08203	5.0
299.15393	2.6
373.23514	2.6
379.12122	2.2
389.78708	2.4
391.24722	4.2
397.08542	1.7
397.13535	38.7
401.23257	7.3
415.14331	12.2
419.24310	6.3
487.82605	2.1
605.24280	6.7
609.27686	5.2
623.25659	4.9
639.55316	2.6
771.37952	7.9
781.36560	9.2
799.37573	54.8
800.37970	7.9
817.38617	72.1
818.39294	10.7
877.44403	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	873.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	16.2
70.10961	49.5
71.01382	16.7
78.95880	11.2
80.15775	9.1
80.96510	11.6
96.95989	26.9
99.25967	10.0
99.92539	13.7
111.65104	11.4
116.92868	100.0
140.01740	11.9
181.10292	9.6
191.05548	19.8
197.11818	35.0
209.11697	16.5
211.13406	15.9
253.09303	22.3
274.04590	12.1
309.20618	96.9
379.72955	11.1
873.47540	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	5.8
67.01886	1.8
68.99809	2.3
69.03432	2.5
69.14225	0.7
70.50130	1.7
70.50500	1.7
71.01381	36.7
72.99303	6.7
73.02940	2.3
75.00471	0.9
75.00871	15.2
78.95880	0.7
78.96943	0.8
79.05539	0.8
79.95749	1.9
81.03458	9.8
83.01407	3.8
83.05026	3.6
85.02950	39.8
86.03288	1.0
87.00881	12.4
89.01941	0.7
89.02451	9.5
91.04008	0.8
93.03455	11.3
95.01394	9.0
95.05009	2.8
96.96014	58.5
98.95571	1.3
99.00883	11.7
99.04505	2.6
101.02435	4.4
103.00359	2.8
107.05022	2.3
108.02151	1.0
109.02943	3.4
110.87067	0.7
111.00867	3.7
111.04523	19.1
113.02451	39.9
115.00381	2.8
117.01939	2.3
119.03466	1.2
119.04996	3.5
121.02964	1.0
121.06613	1.6
123.04533	10.6
125.02451	1.6
127.03979	1.4
129.01923	2.7
131.03490	1.1
131.04956	0.9
133.02922	1.5
134.03726	1.9
135.04564	5.8
136.46689	0.7
137.06076	4.9
139.63269	0.8
141.05597	2.0
145.02936	0.9
149.04572	0.9
149.06053	4.9
150.03151	1.7
151.00386	0.9
152.01134	0.9
153.01889	1.4
157.01395	1.7
157.06610	0.8
160.01567	1.1
161.02448	2.7
161.04561	1.5
161.12148	1.2
161.13367	14.2
163.04015	1.4
164.04785	0.9
165.05614	1.5
167.07124	9.4
171.08141	0.9
173.04579	4.3
175.02429	2.2
175.03899	1.5
179.03496	2.6
181.07594	0.8
185.08170	3.4
185.09676	1.3
187.11287	11.7
191.05602	19.2
192.05983	1.7
193.04979	1.5
205.07175	4.8
205.10522	1.2
205.12306	12.8
207.04980	1.8
209.11769	3.1
211.06059	5.1
213.09146	0.9
229.07042	4.1
229.12166	1.1
231.10355	1.2
245.24936	0.8
249.06123	10.3
267.07205	53.1
268.07587	2.1
345.30139	0.8
373.11926	0.9
391.12308	2.0
393.19247	0.8
449.14590	1.5
467.15598	1.2
481.17239	4.8
553.24878	0.9
661.23938	1.0
829.31232	3.1
855.28088	1.5
873.30273	100.0
874.30438	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	873.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.4
65.03947	0.7
67.01878	2.2
68.99826	2.6
69.03174	0.5
69.03461	4.3
69.58517	2.0
69.58927	1.0
71.01382	34.9
72.99313	6.5
73.02930	2.1
73.22873	0.5
75.00868	16.3
78.95890	0.9
79.05523	0.9
79.95726	2.0
81.03461	7.4
83.01385	2.8
83.05024	9.5
84.02158	0.7
85.02950	39.5
87.00877	14.1
88.01208	0.5
89.01935	0.8
89.02446	10.4
91.04016	1.3
93.03458	10.3
95.01396	6.2
95.05018	1.6
96.96013	42.2
98.20644	1.0
99.00886	10.9
99.04510	2.1
101.02452	4.5
103.00349	3.2
105.07078	0.8
106.04242	0.8
107.05014	3.8
108.02105	0.8
109.02956	9.5
111.00876	2.0
111.04498	3.3
112.01637	1.6
113.02453	38.9
113.06045	1.7
114.02705	0.7
115.00373	2.6
116.92935	0.7
117.01926	2.1
119.03477	1.8
119.05029	2.6
121.02940	1.0
121.06599	10.3
123.04517	6.0
125.02410	1.0
127.03990	3.4
129.01895	2.0
131.03412	1.0
131.05037	1.1
133.02969	1.1
134.03691	2.1
135.04547	2.9
135.08041	0.5
137.02449	1.0
137.06108	1.1
139.07645	0.9
141.05540	0.9
143.08694	0.6
147.04524	0.6
149.06071	12.6
157.01390	1.1
161.02415	2.4
161.13367	10.3
162.13676	1.0
163.04066	0.6
167.03481	1.4
167.07138	10.4
173.04521	4.8
175.02496	2.7
175.03743	0.7
177.01912	0.8
179.03479	1.6
185.08217	5.0
185.09714	1.2
185.13226	0.7
187.11284	10.9
191.03966	0.9
191.05606	9.4
191.07187	1.0
192.05933	1.0
193.05043	1.5
205.07228	2.7
205.12323	9.2
207.05055	1.6
211.06084	3.0
213.09172	1.6
229.01385	0.6
229.07059	1.9
229.12320	1.0
231.05078	0.7
231.10239	0.8
247.79785	0.6
249.06149	9.6
249.11259	1.1
267.07205	44.3
268.07516	1.9
379.45096	0.6
391.12320	1.8
429.51877	0.5
437.18158	1.2
449.14594	2.6
450.14923	0.6
455.19763	0.6
467.15607	5.8
468.15540	0.7
481.17059	3.1
648.72394	0.5
697.26801	1.1
789.59436	0.6
811.31213	0.7
813.44110	0.9
829.30701	1.8
855.29559	0.7
873.30261	100.0
874.30652	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	873.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	1.1
67.27921	0.6
68.99805	2.4
69.03445	2.7
69.77036	3.4
71.01379	28.2
72.01699	0.6
72.99306	5.0
73.02944	2.3
75.00874	14.9
81.03459	5.3
83.01388	1.9
83.05023	8.3
85.02948	35.1
87.00874	10.7
89.02437	10.2
91.03995	1.3
91.05537	0.9
93.03460	3.7
95.01391	5.7
95.05022	1.1
96.96015	5.6
99.00879	11.0
99.04507	1.6
101.02423	2.9
103.00364	2.5
106.04179	0.6
107.05001	3.1
109.02958	8.5
111.00839	1.6
111.04492	0.9
112.01652	0.8
113.02450	36.2
113.06079	2.6
115.00349	1.7
117.01923	1.9
119.03532	1.3
119.05003	2.3
121.02956	1.1
121.06590	7.8
123.04525	4.8
125.02395	0.8
125.06093	0.7
127.03994	2.3
129.01901	2.7
131.03543	1.0
131.05045	0.6
134.03673	1.3
135.04541	4.3
137.06104	0.8
149.04413	0.8
149.04813	1.0
149.06085	13.5
154.92349	0.6
157.01364	1.0
160.03949	0.6
161.02435	0.9
161.09819	0.6
161.13341	7.1
165.05533	0.6
167.03462	1.3
167.07130	7.8
173.04483	0.8
175.02446	1.9
185.08159	4.5
185.09743	1.2
187.11276	8.1
189.03999	0.6
191.05612	5.8
193.05014	1.1
205.07156	2.9
205.12317	8.3
207.05043	1.6
211.06128	1.8
213.09204	0.9
229.07173	2.0
229.12302	1.2
231.05188	1.0
231.10255	1.1
249.06168	9.3
267.07199	41.6
268.07504	1.3
363.12936	1.6
391.12381	1.9
437.17902	0.8
481.17334	4.1
552.80048	0.6
711.55450	0.7
829.31055	2.8
873.30286	100.0
874.30524	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	871.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99298	1.2
65.03950	0.8
67.01887	3.8
68.99800	1.3
69.03459	3.9
69.38313	2.4
69.38740	3.0
71.01384	33.4
71.05018	0.8
72.99321	6.3
73.02940	2.1
73.66635	0.6
75.00871	18.4
79.95737	1.3
80.96497	0.8
81.03469	9.5
83.01385	2.5
83.05008	2.3
85.02952	33.4
87.00878	15.9
89.02445	10.1
89.39539	0.7
90.99000	0.7
91.03976	1.2
91.05528	1.2
93.03461	17.7
95.01394	7.0
95.05005	1.2
96.96021	9.0
97.02939	2.4
98.19922	1.6
99.00266	0.8
99.00883	10.8
99.04511	9.3
101.02438	5.4
103.00359	3.0
105.03437	0.9
107.05038	7.2
109.02950	2.4
109.06593	1.0
111.00891	22.8
111.04525	6.8
112.01216	2.6
113.02452	37.4
115.00378	2.4
117.01928	2.2
119.03524	0.8
119.05022	10.6
121.02957	12.4
121.06571	1.1
123.04527	2.1
125.06127	0.7
129.01967	3.8
129.03439	2.8
131.03513	0.8
134.03743	1.6
134.59047	0.7
135.04532	12.0
136.01654	0.8
137.02446	1.8
137.06091	7.0
139.04018	12.5
147.04518	15.1
149.06007	1.5
150.03166	1.1
151.03981	1.2
153.05522	1.2
157.01353	1.0
161.02498	1.1
161.09755	0.8
161.13353	11.5
162.13704	1.5
163.04013	1.0
164.86656	0.7
165.05573	18.5
167.03519	1.2
173.00922	2.3
173.04587	6.9
175.02423	2.6
179.03487	0.9
179.05582	1.0
181.05101	1.0
183.06630	5.9
185.09676	1.2
185.13268	1.1
187.11292	8.3
191.03735	1.6
191.05606	14.6
201.11314	3.3
205.07188	2.5
205.12331	11.0
207.05057	1.4
209.04494	4.2
209.11887	4.0
213.09154	1.1
227.05614	1.4
231.10284	0.9
249.06119	8.6
267.07196	50.4
268.07452	1.0
275.09033	0.9
389.10635	2.0
397.13214	1.1
437.18045	1.9
449.14511	8.0
481.17581	3.5
515.74200	0.8
603.20197	0.9
643.22754	2.5
661.23865	1.0
696.37213	1.6
697.37140	1.3
827.28699	2.9
853.27307	3.7
871.28735	100.0
872.29211	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	871.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	3.1
65.03965	22.6
66.84119	0.8
67.01875	2.4
68.99803	2.8
69.03465	5.9
70.29624	1.9
70.30027	1.8
71.01382	34.5
72.99311	7.3
73.02940	3.7
74.73368	0.8
75.00872	15.5
77.73241	0.8
79.05524	0.8
79.95710	1.4
81.03455	3.8
83.01359	2.9
83.05013	2.8
85.02953	35.2
87.00874	14.1
88.90709	0.9
89.02453	11.4
91.04028	1.5
93.03462	21.6
94.03764	1.1
95.01389	5.1
95.05006	2.4
95.89480	0.8
96.96004	10.4
97.02932	1.8
98.95604	1.2
99.00885	11.8
99.04517	2.0
101.02456	6.6
103.00350	2.7
103.05569	0.9
106.04221	1.2
107.04995	3.1
109.02917	3.4
111.00879	3.2
111.04507	2.4
113.02448	37.0
115.00359	2.5
117.01930	2.3
119.03514	1.5
119.05022	5.8
121.02914	0.9
121.06590	13.3
122.53389	0.8
123.04514	3.1
125.02448	0.9
127.04028	1.9
129.01904	3.0
131.03502	2.0
134.03685	1.4
135.04561	4.2
137.02435	2.4
137.06030	2.2
139.04008	20.3
143.08667	0.9
145.02858	1.0
147.04549	0.9
149.06075	3.5
157.01358	1.5
159.11787	1.7
161.02438	1.7
161.04503	1.1
161.13335	9.4
165.05566	9.7
167.07091	1.6
173.04535	6.4
175.00563	0.7
175.02455	2.5
175.03922	1.2
177.01814	1.1
179.03474	1.0
179.05638	1.7
181.04994	1.3
183.06612	5.8
183.11627	0.8
185.08191	2.0
185.09679	1.9
187.11276	7.2
191.04024	0.9
191.05624	15.5
203.10774	3.5
205.07169	4.8
205.12309	9.5
207.05020	1.5
209.04550	1.6
213.09167	0.9
221.06653	1.5
229.08817	1.1
231.05096	1.2
231.10341	1.4
249.06172	7.5
263.07654	1.3
265.05112	0.9
265.81525	1.0
267.07196	43.9
268.07605	2.0
275.09543	1.1
325.96628	0.8
345.11801	1.7
353.09308	0.9
389.10623	2.4
399.77249	1.0
437.18259	1.3
449.14517	6.9
467.15536	3.4
481.17001	3.2
763.38080	2.4
827.29315	4.7
853.26831	1.4
871.28662	100.0
872.29004	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	871.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	1.0
69.03442	0.4
69.86464	0.3
71.01376	3.6
72.99271	0.3
73.02954	0.8
81.03466	0.7
81.79051	0.3
83.01382	0.3
83.05032	0.4
85.02948	17.8
87.00864	3.6
88.37783	0.3
89.02445	1.4
93.03457	7.8
96.95472	0.3
96.95988	1.8
97.37398	0.3
98.20628	1.0
99.04494	0.6
101.02425	1.5
105.62570	0.3
108.02226	0.3
109.02941	1.6
111.04535	2.1
112.54005	0.3
113.02444	0.6
123.04517	0.8
127.04021	3.9
129.05646	0.3
132.04573	0.6
133.02945	0.5
135.04520	0.3
155.03452	0.4
159.04480	3.1
161.02522	0.4
171.02956	1.1
173.02287	0.4
173.04552	2.8
187.04039	0.5
189.01883	0.5
190.05040	0.5
191.05600	100.0
192.05948	3.1
203.03473	1.7
208.05238	0.3
224.04858	0.4
229.01521	0.4
231.10410	0.4
232.41397	0.3
235.03860	0.3
236.04802	0.8
237.05556	2.0
238.06126	0.5
247.04108	0.6
248.04675	0.7
249.05548	1.7
251.03470	0.7
252.04292	0.4
253.05208	0.5
263.03442	1.3
264.04263	3.9
265.05008	3.9
266.05804	10.3
267.06561	1.9
268.07324	1.1
275.03470	0.6
276.04248	1.1
277.04980	1.9
278.05609	0.7
279.02924	1.0
279.06662	0.4
280.03827	0.5
281.04642	1.3
281.08145	3.8
283.09753	1.1
286.35004	0.3
291.02991	0.9
292.03802	3.2
293.04587	7.9
294.05356	5.5
295.05923	0.5
296.06885	0.9
303.09946	0.4
307.02780	0.5
307.05801	1.4
308.03207	1.5
308.06879	4.8
309.03979	1.2
309.07568	11.2
310.07916	0.8
311.09036	0.5
320.03220	1.4
323.05569	1.6
324.06119	0.7
325.07123	0.9
327.08917	0.4
335.01938	0.5
335.05576	4.8
338.07797	2.1
339.08725	2.2
342.54642	0.3
352.10373	0.6
353.06616	1.9
365.06665	0.4
367.08606	0.5
369.09683	1.1
383.07736	0.5
387.16458	0.5
395.07697	1.0
467.15298	0.5
527.12042	0.6
608.88470	0.4
635.19745	3.2
636.19934	0.5
653.20813	0.6
679.18738	60.7
680.19080	7.8
697.19867	2.7
871.25055	10.9
872.25647	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	869.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.2
66.14494	0.1
67.01895	3.3
68.67622	0.1
68.99812	0.2
69.33408	0.7
71.01384	1.9
71.05017	0.1
72.99315	0.4
73.02950	0.2
75.00878	1.5
79.95757	0.1
81.09135	0.1
83.01379	0.3
85.02957	2.5
87.00883	2.7
89.02473	0.5
93.03470	2.1
95.01403	0.3
96.96018	3.3
97.02977	0.1
98.20757	0.1
98.95583	0.1
99.00903	0.7
99.04526	0.2
101.02457	0.3
103.00422	0.2
107.05010	0.2
108.02168	0.2
109.02987	0.2
111.00888	100.0
112.01219	1.7
112.67931	0.1
113.02447	1.6
115.00404	0.2
117.01926	0.2
119.03513	0.1
119.05047	0.3
121.02949	0.1
123.04477	0.1
125.02486	0.1
127.04004	0.1
129.01921	0.2
130.99924	0.1
133.02968	0.1
134.03758	0.3
135.04550	0.7
137.02440	0.7
137.06071	0.3
152.01054	0.1
154.99902	0.2
157.01459	0.1
160.01695	0.1
161.02452	0.2
161.04578	0.2
163.04013	0.2
163.15147	0.1
171.10341	0.1
173.00917	18.9
173.04524	0.5
174.01244	0.4
175.02551	0.1
175.03946	0.2
179.03549	0.2
181.05040	0.3
191.05615	2.6
191.07358	0.1
192.05937	0.2
201.11354	0.2
205.07321	0.1
205.12354	0.1
208.41739	0.1
209.11845	0.3
210.91017	0.1
223.06151	0.1
225.11209	0.1
267.07281	1.1
303.60977	0.1
449.14813	0.3
455.31497	0.2
528.01709	0.1
643.22021	0.1
671.53876	0.1
695.36456	11.2
696.36859	1.7
754.21466	0.1
825.28217	0.5
851.25763	0.1
869.25848	0.6
869.40625	1.7
870.26135	0.2
870.40802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98800	2.8
65.03944	2.4
67.01873	4.7
68.99805	3.4
69.03455	2.5
71.01011	1.9
71.01388	36.4
71.56178	0.9
72.99329	6.3
73.02940	2.9
75.00880	21.0
79.95724	3.1
81.03464	1.0
83.01390	2.1
83.05019	1.3
84.02179	1.4
85.02953	30.9
87.00887	14.3
89.02452	13.5
91.05505	3.2
93.03462	100.0
94.03784	2.1
95.01364	5.5
95.05005	2.0
96.96017	61.5
97.02937	2.4
99.00883	15.2
99.04458	1.5
101.02449	5.2
103.00342	3.4
107.05017	7.8
109.02940	1.7
111.00892	14.1
111.04504	2.8
113.02457	35.5
115.00325	1.9
117.01890	3.0
119.03527	2.0
119.05034	14.8
121.02905	1.8
122.06126	1.8
127.03978	1.7
129.01929	2.7
131.03461	1.9
134.03703	3.5
135.04535	9.3
137.01489	2.0
137.02452	25.7
137.05089	1.4
137.06078	17.1
138.97537	1.1
149.06041	1.6
152.07089	2.7
155.03551	1.1
157.01390	2.3
161.02380	3.0
161.13358	10.1
163.03995	8.9
171.10242	1.3
173.00938	2.6
173.04579	6.1
175.02405	2.1
178.02715	1.1
179.03456	1.3
181.05072	23.0
186.80675	1.0
187.07436	1.3
187.11301	10.2
189.01932	1.0
191.05626	17.2
197.11745	1.1
201.11237	4.1
205.05229	1.7
205.07108	3.4
205.12338	8.9
207.02901	3.2
207.04861	1.2
207.10115	2.9
209.11725	4.2
225.03926	2.1
225.11235	4.2
227.12717	1.3
231.10014	1.3
243.12238	2.2
249.06143	14.1
255.02843	1.6
267.07211	52.2
268.07523	1.7
285.03860	2.3
287.45441	1.3
300.02829	1.5
343.10175	1.8
359.99457	1.1
387.15625	3.4
437.18106	1.7
449.14276	1.4
481.17099	11.1
499.17880	2.3
643.22290	11.7
661.23071	4.4
695.35773	1.7
825.27960	30.8
826.28461	3.8
851.38464	3.3
869.26886	58.1
870.27673	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	869.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35328	0.7
65.03941	1.2
67.01875	2.9
68.99819	5.1
69.03445	1.6
69.40571	4.5
69.40982	1.7
71.01383	34.0
72.99324	5.3
73.02959	2.0
75.00875	17.7
81.03458	1.7
83.01380	2.9
83.05025	1.1
84.02150	0.8
85.02953	31.6
87.00876	12.2
89.02448	12.5
91.04000	1.1
91.05519	2.7
93.03459	100.0
94.03776	1.2
95.01408	7.0
95.04996	2.0
96.08409	0.8
96.95991	2.9
98.20618	1.6
99.00259	1.2
99.00878	14.5
101.02467	3.9
101.35367	0.7
103.00377	3.8
105.07085	1.0
107.05044	8.0
109.02950	1.9
109.06580	1.8
111.00908	5.5
111.04499	2.1
113.02450	41.2
115.00363	2.1
117.01931	2.1
119.03506	1.4
119.04258	1.3
119.05032	17.3
120.05385	0.7
121.02935	1.7
126.71694	0.8
128.13821	0.7
129.01880	3.2
131.03474	1.1
133.06419	0.7
135.04510	5.3
137.02444	25.3
137.06087	19.2
137.20578	0.8
138.06450	1.1
153.01872	0.9
157.01382	2.2
161.02438	2.0
161.13356	14.7
163.03993	10.3
174.01237	0.7
175.02458	2.1
179.03461	1.0
181.05067	24.9
185.13295	1.1
187.11276	10.2
191.05580	3.0
205.05290	1.0
205.07091	4.8
205.12341	13.2
207.02931	3.1
207.04832	1.3
213.09221	1.2
225.04008	2.1
231.05042	1.8
231.10080	0.9
249.06151	13.1
249.11288	0.9
267.07214	57.9
272.23218	0.8
343.10226	2.9
354.50748	0.8
387.08994	1.6
393.19394	1.0
437.18161	2.8
455.19125	1.2
481.17328	7.9
499.17999	1.8
643.22437	8.5
644.23022	1.5
661.23352	4.6
695.35950	0.9
781.29333	1.8
782.28955	0.9
825.28198	39.7
826.28534	6.3
869.27136	59.3
870.27747	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	867.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.1
69.03445	1.1
70.43745	1.0
70.44150	1.1
71.01378	17.1
72.99293	2.0
73.00829	0.5
73.02934	2.8
81.03468	0.9
83.01380	1.7
85.02934	3.8
87.00871	4.0
89.02448	14.1
89.02995	0.8
95.01373	1.3
97.02955	2.8
99.92912	0.5
101.02439	12.3
111.00890	0.7
113.02457	7.4
116.62274	0.5
119.03461	3.7
125.02435	7.2
125.09702	1.2
127.03986	0.7
127.11309	1.7
127.48072	0.5
131.03537	0.6
133.05026	0.7
141.31200	0.5
143.03506	2.5
161.04581	3.2
167.03484	0.9
171.10263	100.0
171.87778	0.7
172.10622	2.5
179.05621	2.9
199.06094	0.5
217.07158	1.1
221.06743	1.3
235.08235	5.4
245.06813	0.7
253.09265	1.0
255.23286	65.2
256.23502	3.6
259.08212	1.2
269.24820	0.8
287.07669	1.9
305.08752	1.8
323.09793	1.1
379.12442	18.2
380.12811	0.9
397.13498	40.0
398.13855	1.9
415.14465	7.3
551.23389	5.6
569.24585	3.4
635.36243	4.4
653.37549	7.6
654.37933	1.0
806.60736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98805	0.3
69.03460	0.5
70.69815	0.5
70.70186	0.4
71.01385	8.1
72.99309	0.7
73.02942	1.3
75.00907	0.4
80.02678	1.2
81.03462	1.6
83.01404	0.7
83.05029	4.9
84.02171	1.0
85.02946	2.2
86.84395	0.2
87.00882	1.8
89.02452	6.8
93.03465	0.8
95.01391	0.5
95.05025	0.9
96.95998	1.3
97.02964	1.1
97.06514	0.3
99.00873	0.6
99.04541	0.5
101.02456	5.9
108.02164	0.2
109.02952	0.3
109.06614	0.6
111.00915	1.0
113.02460	3.6
119.03513	1.9
122.32372	0.2
125.02461	2.2
125.06068	0.7
125.09748	0.3
127.03979	0.2
128.13963	0.2
131.03477	0.2
134.03796	0.3
135.04582	0.4
135.08174	0.7
139.04057	0.4
143.03511	1.0
145.03043	0.2
145.05096	0.2
151.00375	0.3
161.04562	2.0
163.00351	0.3
163.11301	3.8
165.12842	2.3
171.10286	0.7
173.04535	0.5
179.05592	2.4
181.12350	0.6
191.05637	2.1
191.10851	1.1
201.11339	0.5
207.10269	0.5
209.11829	100.0
210.12180	4.3
217.07259	0.3
221.06683	0.6
223.09668	0.3
225.11314	0.6
227.03523	0.4
227.12886	14.6
228.13226	0.9
235.08160	2.2
243.02957	0.4
251.12875	0.5
253.09402	0.3
255.03040	1.1
259.07977	0.3
263.07938	0.3
271.02472	3.5
272.02652	0.2
287.07739	0.8
299.01953	2.2
300.02765	4.6
301.03494	1.7
305.08771	0.9
323.09839	0.4
341.10806	0.2
369.95261	0.3
379.12482	3.8
397.13510	20.3
398.13882	1.4
415.14587	4.9
586.94708	0.3
589.24811	1.0
607.26080	2.7
608.26447	0.5
609.14984	1.1
609.23798	0.2
646.94879	0.3
714.56543	0.2
742.93561	0.2
769.16534	0.3
770.16833	0.7
799.38019	0.9
817.37817	0.4
849.22388	0.3
849.36896	0.5
866.81354	0.2
867.23572	0.5
867.38916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.8
63.02402	1.3
65.00333	1.9
68.99808	1.0
71.01391	6.0
71.56275	0.9
73.02959	1.3
83.01389	2.3
83.05019	1.0
85.02950	2.6
87.00874	2.5
89.02449	1.3
90.84983	0.6
93.03461	6.1
96.96018	7.0
99.00883	0.9
99.04525	1.3
101.02448	2.5
104.12854	0.6
107.01378	5.8
108.02169	1.6
109.02955	4.0
111.00872	1.7
111.04539	0.6
113.02441	1.7
121.02966	3.5
125.02431	1.3
135.00941	1.5
135.04539	2.2
135.05531	0.5
137.02454	1.0
139.03966	0.7
146.04622	0.8
148.01662	1.8
149.02428	0.9
150.99170	1.3
151.00378	20.0
153.01924	1.7
155.03458	0.8
159.04523	1.3
161.02454	2.0
161.04573	1.7
163.00403	3.0
163.03970	0.9
163.11269	0.7
165.02011	0.7
167.03558	0.6
169.01439	1.2
171.10295	1.6
172.05318	2.1
173.04596	3.0
173.05841	0.6
175.04031	1.5
178.99857	8.7
179.03458	0.7
183.04478	1.5
183.90631	0.5
187.07645	10.8
189.01837	0.6
189.05603	2.4
191.03905	1.1
191.05647	10.3
197.11882	0.9
199.03978	1.8
200.04794	0.8
201.05547	1.1
201.11284	1.0
203.03535	1.0
207.10245	1.2
209.11871	7.3
211.04045	1.7
211.07573	0.7
213.09193	1.4
215.03590	0.8
215.07144	5.1
215.12857	0.9
216.04262	0.8
217.07201	0.5
225.11368	1.6
226.02751	1.7
227.03491	5.3
227.12891	1.6
228.04282	1.5
229.05055	1.0
229.08699	0.9
231.06659	2.8
231.10220	1.4
243.02989	11.7
244.03403	0.9
245.04459	0.7
254.02315	1.9
255.02986	31.6
256.03473	1.4
257.08124	3.9
267.07083	0.8
271.02493	59.0
272.02933	4.9
273.04022	1.7
283.02380	1.8
285.04062	1.2
299.02173	3.8
300.02768	100.0
301.03506	48.0
302.03888	2.3
306.92017	0.6
343.04385	0.7
345.15851	1.3
347.17111	0.9
397.13412	1.7
431.62045	0.7
449.14798	3.3
463.09229	0.8
521.16632	2.7
529.19373	0.8
565.19495	2.0
578.23334	0.6
591.13800	1.5
609.14606	60.5
610.14923	6.0
618.38043	0.6
646.50720	0.6
651.15619	5.2
656.23767	0.7
823.20898	11.4
824.21906	1.6
849.22681	5.7
849.37433	1.0
867.23169	15.9
867.37494	1.7
868.23694	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	867.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	4.5
61.99129	0.7
63.02409	0.7
64.54710	0.5
65.00343	1.5
67.01892	0.5
71.01378	2.8
71.11884	0.7
79.95744	0.8
83.01387	1.3
85.02963	0.9
87.00892	0.8
88.98830	0.7
89.02451	0.9
93.03472	2.2
96.96017	5.2
99.00901	0.4
99.04530	0.7
100.27861	0.4
101.02459	1.2
107.01381	3.5
108.02178	1.5
109.02958	1.2
109.06620	0.6
111.00884	1.8
111.04494	0.5
113.02432	0.6
121.02942	1.7
124.01649	0.5
125.02437	0.8
129.01941	0.7
132.02177	0.9
133.02924	2.6
134.03732	1.0
135.00885	1.1
135.04535	1.6
137.02431	0.5
137.93472	0.4
148.01685	1.2
151.00372	9.2
155.03438	0.6
157.02881	0.7
159.04446	0.5
160.01649	0.9
161.02483	2.6
161.04547	1.6
163.00377	1.8
163.03992	0.7
164.01175	0.6
169.01523	0.7
171.04510	0.8
171.10281	0.6
173.04565	1.1
173.06035	0.4
175.04007	1.3
178.99852	4.2
179.03531	0.7
182.03639	0.6
183.04549	1.1
185.35219	0.5
187.03940	1.4
188.74661	0.4
189.05576	0.5
191.05611	5.0
193.01314	0.4
197.04193	0.4
199.03998	4.4
201.01997	1.1
203.03490	0.7
207.10266	1.4
209.11807	2.1
211.04044	1.3
211.13350	0.7
215.03516	1.6
216.04388	0.7
225.11374	1.2
226.02716	1.2
227.03505	4.6
228.03828	0.6
229.04883	0.5
242.02245	0.5
243.02963	11.3
245.04546	0.5
254.02147	1.9
255.02983	22.2
256.03412	1.4
256.99817	0.5
271.02475	68.4
272.02917	4.2
273.04013	1.1
273.07492	0.6
283.02542	0.8
299.01971	55.0
300.02728	100.0
301.03433	25.7
302.03760	0.8
313.03839	0.5
366.74091	0.4
395.13834	0.4
397.13504	0.7
461.05176	2.3
463.08926	1.0
467.11703	0.5
557.76184	0.5
591.13800	0.8
608.13696	1.2
609.14575	21.7
610.14984	2.3
623.26105	0.7
769.16211	13.2
770.16943	20.6
771.17078	3.1
835.40320	0.8
849.22430	1.4
867.23163	12.8
867.38495	1.0
868.23914	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.2
69.03457	2.7
71.01392	19.4
72.99301	1.5
73.02950	3.9
77.87054	1.0
80.02681	2.2
81.03469	4.7
83.01390	2.8
83.05024	7.4
83.35725	0.8
85.02949	6.7
87.00875	4.3
89.02451	16.1
93.03463	3.2
95.01376	2.2
95.04980	1.4
96.96021	5.7
97.02969	8.7
99.00852	3.1
99.04511	1.1
101.01812	0.9
101.02450	13.9
107.05046	1.7
109.02904	1.2
109.05902	1.3
109.06601	23.7
110.03740	1.2
111.00869	3.1
111.04497	1.9
113.02469	6.8
119.03479	3.4
121.06573	2.5
122.21445	0.9
125.02478	5.1
125.09762	1.3
131.03493	1.1
135.08144	3.0
136.05304	1.8
137.02467	1.0
142.02756	1.7
143.03497	2.2
150.94890	0.9
161.04549	4.5
161.09662	1.3
163.11305	20.3
165.12877	2.4
173.04552	2.4
179.05598	4.3
181.12361	5.7
185.11859	0.9
189.09209	2.0
191.05609	11.7
197.11772	2.7
201.11195	1.1
207.10271	61.6
208.10544	1.4
209.11835	100.0
210.12117	3.5
214.80675	0.9
221.06633	1.8
225.11325	34.1
226.11610	1.4
227.12875	12.8
235.08134	3.7
249.11143	0.9
253.09229	0.9
261.99127	0.9
281.13818	0.9
299.15125	1.4
305.08856	1.4
373.23718	1.1
379.12341	2.9
397.13531	27.7
399.21860	1.9
415.14520	7.5
417.22714	3.3
443.18817	1.1
446.43631	1.0
587.23383	1.3
605.24548	4.3
606.24597	0.9
607.25616	2.0
623.25793	6.0
797.36243	18.0
798.36285	2.0
815.37079	19.7
816.37689	3.0
833.38165	34.5
834.38727	6.5
865.35950	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	1.2
67.01890	3.0
69.03454	1.0
71.01388	2.0
71.55395	0.2
71.55799	0.3
73.02941	0.3
79.95777	0.2
81.03442	0.9
83.05023	0.7
85.02947	6.6
87.00877	4.6
89.02460	0.4
93.03458	24.4
94.03787	0.4
94.35528	0.2
96.95995	1.1
98.19920	0.2
99.00867	0.7
99.04513	0.6
101.02435	0.7
109.02962	1.1
111.04523	3.3
112.04865	0.3
113.02458	0.7
119.58253	0.2
121.15509	0.2
127.04026	1.5
129.01904	0.7
137.02443	0.5
137.83932	0.2
143.03464	0.3
146.03735	0.3
155.03488	0.8
158.03705	0.9
159.04498	1.4
160.95279	0.2
161.02431	0.3
166.02744	0.3
171.02945	0.4
172.05276	0.7
173.04559	8.5
173.06053	0.9
174.04852	0.4
174.06763	0.3
175.07658	0.4
183.04510	0.8
187.04132	0.4
187.07626	6.7
188.07973	0.4
189.05685	0.3
191.05605	100.0
192.05963	2.7
199.04091	0.4
200.04785	0.8
202.06281	0.6
203.10803	0.5
213.05611	0.9
213.09180	3.7
214.06477	0.3
215.07114	0.8
227.03490	0.3
228.04294	0.9
229.08737	0.4
231.10214	1.5
257.08179	13.0
258.08597	0.7
275.09262	4.7
401.17990	1.3
449.14529	43.1
450.14828	3.2
871.21985	0.3
892.10559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96243	1.3
65.64627	0.7
70.02364	1.7
70.02734	3.2
71.01389	7.5
73.02947	1.9
78.95885	1.2
78.98601	4.4
79.95741	18.0
80.43879	0.8
80.96519	76.7
81.03474	0.8
81.95362	1.0
82.96103	2.4
85.02956	1.8
87.00885	4.1
94.98091	19.9
96.96001	2.4
97.02935	1.9
101.02450	3.0
106.98093	3.3
122.97597	4.3
122.98586	0.7
125.02449	4.3
134.97592	6.4
136.99178	1.3
148.99109	6.5
152.98587	6.6
152.99606	1.0
164.98628	13.4
206.99628	3.1
224.98642	1.7
225.00732	21.1
227.00310	1.1
255.23357	2.3
260.97815	1.0
331.31537	0.9
537.27362	1.9
607.24579	1.6
613.61682	1.0
765.40540	1.3
863.48193	100.0
864.48706	15.5
869.44342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75772	0.2
67.01826	0.2
69.03455	0.7
71.01388	16.5
71.32253	0.4
72.99306	1.4
73.02953	2.7
75.00893	0.4
79.01852	0.2
80.02666	1.1
81.03465	2.2
83.01406	1.8
83.05032	5.2
84.02166	0.9
85.02962	3.4
86.00118	0.3
87.00882	4.3
87.04507	0.3
89.02453	13.6
91.04013	0.4
93.03446	0.3
95.01420	1.3
95.05047	0.6
97.02963	2.3
99.00890	1.0
99.04525	0.3
101.02451	11.8
102.02860	0.2
104.76093	0.2
109.02962	0.5
111.00909	0.3
111.04556	0.3
113.02461	6.6
115.04026	0.4
119.03500	3.3
121.02988	0.2
123.04544	0.4
124.01699	0.2
125.02459	5.6
125.06138	0.5
127.04076	0.2
130.87590	0.2
131.03525	0.6
133.05109	0.5
135.08183	0.5
135.86134	0.2
139.04008	0.5
140.48409	0.2
141.01952	0.3
143.03517	2.9
149.04585	0.4
161.04562	3.3
163.11307	4.2
163.55733	0.2
165.12880	1.9
167.03464	0.2
179.05612	3.4
181.05115	0.3
181.12317	0.5
185.04578	0.4
191.10797	1.0
199.06142	0.5
203.05550	0.2
209.11839	100.0
210.12167	4.0
215.45236	0.2
217.07146	1.0
219.05103	0.3
221.06686	1.0
227.12895	13.2
228.13242	0.5
235.08218	5.0
236.08455	0.3
245.06723	0.3
251.12923	0.4
253.09309	0.6
255.23305	54.9
256.23642	3.0
259.08374	0.4
263.07773	0.6
269.24847	0.8
287.07739	1.8
297.24594	0.3
301.09540	0.2
305.08774	1.9
323.09952	1.3
361.11407	0.4
379.12463	9.5
380.12744	0.5
397.13516	39.8
398.13895	2.1
415.14584	9.0
416.14688	0.3
430.00076	0.2
514.42224	0.2
589.25513	1.0
607.26099	1.1
635.36230	0.6
653.37610	2.5
859.36676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.485
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	1.8
71.01381	25.7
72.99312	2.5
73.02947	3.9
75.00887	0.7
80.02659	0.9
81.03467	3.4
83.01386	2.8
83.05032	2.9
84.02225	0.7
85.02956	8.0
85.19100	0.4
87.00388	0.7
87.00878	5.7
89.02444	21.6
93.03456	0.5
95.01390	3.0
95.05013	0.7
97.02952	11.3
98.20736	1.1
99.00892	3.1
99.04529	0.6
101.02442	20.6
106.04295	0.5
107.01331	0.5
107.05025	1.1
109.02973	0.8
109.06591	30.6
110.03740	1.1
111.00870	1.3
111.04523	1.1
113.02448	10.2
119.03493	4.5
121.06598	2.1
123.00919	0.5
123.04542	0.8
123.08135	0.5
125.02455	7.5
125.09756	0.8
131.03471	0.8
131.10001	0.4
133.05046	0.5
134.89432	0.8
135.08147	4.2
136.05333	2.1
139.03972	0.6
141.01932	1.6
142.02740	3.1
143.03534	3.4
145.10243	0.6
149.04611	0.7
161.04536	3.2
161.09726	1.3
163.11285	16.9
164.11609	0.5
171.08061	0.5
172.99846	0.5
179.05605	5.0
179.10793	1.2
181.12390	3.2
189.09247	2.2
190.45813	0.5
207.10251	100.0
208.10606	3.6
209.11803	1.9
210.12077	0.5
217.07085	0.8
221.06693	2.3
223.33235	0.5
225.11314	36.0
226.11635	1.8
230.49983	0.6
235.08176	6.4
243.12465	1.5
245.06540	0.6
253.09314	1.6
255.23283	76.7
256.23544	5.2
263.07819	0.9
263.91751	0.5
269.24878	0.8
281.13898	0.7
287.07803	1.6
293.24570	0.5
299.14999	1.2
305.08594	2.2
323.09784	1.3
371.19568	0.5
379.12427	9.7
397.13483	54.1
398.13708	3.3
398.18198	0.5
415.08978	0.7
415.14545	12.8
416.14783	1.0
419.35352	0.9
463.34015	0.5
587.23505	1.6
605.24371	6.0
616.86078	0.5
623.25500	3.1
635.36584	1.2
653.37457	4.6
654.37360	0.8
681.42761	0.6
843.48132	2.2
861.48492	62.2
862.48798	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	861.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	0.7
71.01411	0.4
72.99310	0.6
83.01400	0.7
85.02953	0.6
93.03473	1.0
96.96017	1.8
107.01406	1.4
108.02193	0.9
109.02939	1.1
121.02985	1.3
124.80807	0.4
124.81798	0.5
125.02504	0.6
135.04514	1.9
141.03688	0.4
147.04498	3.5
148.01675	0.7
151.00394	5.4
155.03487	0.5
161.02414	1.3
163.00443	1.2
165.05598	3.6
173.04588	0.8
178.99823	4.6
179.02086	0.5
179.03502	1.1
191.05618	5.3
192.00768	0.5
199.03935	0.7
207.06615	0.8
227.03407	1.0
243.02968	5.1
245.04596	0.5
254.02219	1.2
255.02975	15.7
256.03241	1.0
271.02457	29.4
272.02902	2.7
273.03973	0.8
283.02280	0.6
287.85770	0.5
299.02109	0.5
300.02737	67.1
301.03448	20.9
302.03918	1.1
609.14569	100.0
610.14899	12.8
610.24908	0.6
634.50055	0.6
664.47424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.3
69.03455	2.4
69.22176	11.7
71.01387	27.1
72.99309	3.6
73.02941	4.8
78.32064	1.2
83.01369	3.2
85.02959	5.9
87.00876	4.7
88.98793	1.4
89.02447	20.6
95.01383	3.5
95.05028	3.8
96.96011	1.6
97.02969	9.5
99.00866	1.6
99.04494	1.8
101.02453	19.3
105.01933	4.7
105.54950	1.2
105.64639	1.3
109.06598	11.5
110.03766	1.5
113.02457	10.5
116.92873	1.8
119.03503	4.5
123.04493	1.7
125.02447	4.3
127.08431	1.1
135.08186	1.3
136.89076	1.5
141.01953	1.6
143.03537	2.7
147.87578	1.2
161.04564	2.9
163.11266	10.0
179.05595	5.8
179.10800	1.9
181.12239	1.6
189.09204	4.2
207.10269	30.6
208.10571	1.9
209.11888	1.9
221.06604	1.3
225.11310	100.0
226.11613	4.2
235.08199	6.1
253.09303	2.0
255.23279	58.2
256.23682	3.4
277.21707	5.2
287.07785	1.5
327.21863	3.3
379.12424	1.9
397.13474	45.5
398.13867	2.4
415.14713	8.6
605.24567	9.6
623.25256	6.8
653.37451	4.0
861.48517	41.2
862.48889	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	857.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01685	0.5
61.98841	0.9
67.01883	1.1
68.99819	1.0
69.03451	0.8
70.44883	1.0
70.45248	0.5
71.01382	24.3
72.99310	7.8
73.02943	1.8
75.00872	28.1
79.95724	0.6
82.29796	0.4
83.01381	1.3
83.05026	0.9
85.02950	27.4
86.03271	0.5
87.00875	9.9
89.02441	5.0
93.03438	2.9
95.01388	2.1
96.96017	8.0
98.95615	1.3
99.00883	5.3
99.04527	0.5
101.02439	2.5
103.00385	1.1
107.05068	0.6
109.02930	0.6
111.00878	3.7
111.04489	0.6
112.04769	0.4
113.02451	23.3
114.02787	1.0
115.00358	2.0
116.01199	1.2
117.01929	2.4
123.04504	1.0
129.01917	0.9
131.03494	0.7
133.01508	0.5
133.02934	0.5
134.03778	0.5
135.04541	1.5
137.02422	0.8
149.02415	0.4
150.03181	0.4
150.04247	0.5
153.01897	0.4
157.01389	0.9
158.79840	0.4
161.02448	1.4
161.13330	0.5
163.04007	0.7
165.00705	0.4
165.01942	1.3
173.00899	0.5
173.04553	1.3
175.02481	1.9
175.03889	0.6
179.03601	0.6
180.04327	0.8
187.11372	0.8
191.05600	7.6
192.05905	0.5
193.03365	0.4
195.06688	0.9
205.12372	0.7
207.02824	0.5
267.07181	2.9
268.07526	0.9
297.60776	0.4
409.30875	0.9
449.14536	1.2
467.15524	0.5
519.33203	0.7
633.36597	1.7
651.37787	0.7
677.35309	0.6
695.36554	4.1
696.36823	0.5
808.29425	0.5
857.41980	100.0
858.42297	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	857.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99286	1.6
67.01891	4.1
68.99815	2.7
69.03426	2.8
71.01379	36.1
72.32109	0.8
72.99302	7.2
73.02925	1.5
73.87901	0.9
75.00467	1.5
75.00871	22.4
79.95728	1.4
81.03445	1.1
83.01381	2.7
83.05026	1.6
83.74525	0.8
85.02946	35.9
86.03305	1.2
87.00880	17.7
89.02442	7.8
91.04006	1.7
93.03455	26.3
95.01380	7.7
95.05009	1.4
96.96014	19.7
98.19893	3.0
98.95654	0.8
99.00886	16.0
99.04498	2.2
101.02439	3.5
103.00355	3.7
107.05026	1.2
109.02975	1.2
111.00854	3.8
111.04503	3.0
113.02445	47.4
114.02783	1.1
115.00346	2.4
117.01933	2.9
119.04979	1.3
121.02941	4.0
122.03735	8.1
123.04515	2.5
127.04011	1.5
129.01900	2.5
134.03735	2.8
135.04536	6.0
136.04921	0.9
137.02415	2.0
139.00385	1.7
149.02408	3.4
149.04553	1.4
149.05998	1.1
150.03220	51.7
151.04054	5.0
153.01865	1.2
155.03455	1.3
157.01396	3.4
161.02460	1.1
161.13356	11.2
163.03923	1.2
165.05560	49.5
166.05852	1.5
168.75337	0.9
173.04514	11.0
175.02451	3.1
177.01907	1.8
178.02730	1.5
179.03464	1.7
185.09689	1.5
187.11284	10.2
191.05623	15.9
192.05995	1.3
195.06691	1.1
199.91827	0.9
205.07152	5.5
205.12303	10.3
207.04971	1.3
213.09219	1.3
229.21391	1.5
231.05112	1.3
231.10181	1.3
249.06123	10.8
267.07190	48.9
268.07550	2.1
281.08743	1.2
308.97406	0.9
324.55264	0.9
339.80084	1.0
437.17911	2.0
449.14603	9.6
467.15485	14.5
468.16290	1.9
481.17178	6.2
643.22491	3.5
857.30743	100.0
858.31177	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	857.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78297	1.0
61.98838	1.8
67.01891	3.2
68.99814	2.1
69.03463	5.0
69.98656	1.1
70.45274	2.6
70.45632	1.7
71.01385	33.7
72.99311	7.5
73.02928	1.8
75.00873	20.3
79.05553	1.4
79.95741	4.3
80.96523	6.4
81.03471	10.3
83.01383	3.1
83.05032	3.0
85.02953	37.8
87.00880	14.4
89.02445	10.5
91.03992	1.6
93.03466	13.5
95.01382	7.4
96.96003	12.6
97.02956	1.1
98.95583	3.0
99.00895	11.7
99.04517	5.7
101.02419	5.3
103.00379	3.4
105.07103	1.9
107.05042	4.7
109.02967	2.4
111.00875	8.7
111.04469	1.6
113.02456	40.6
114.02820	1.3
115.00363	3.2
116.78713	1.2
117.01962	2.3
119.03510	1.4
119.05009	1.3
123.08188	1.8
125.06075	5.5
129.01950	2.7
132.02211	2.2
133.01575	1.4
133.02975	2.7
133.06606	2.7
134.03761	5.5
135.04526	4.7
137.02422	1.6
150.04185	1.3
151.07651	16.8
157.01280	1.1
160.01682	8.1
161.02441	2.4
161.04533	2.9
161.13353	13.4
163.04070	1.2
164.98611	1.6
169.08727	12.1
173.04515	6.3
175.02522	2.4
175.04037	5.0
179.03494	1.9
187.11293	9.4
190.02647	1.1
191.05608	13.5
193.05070	3.6
195.06628	8.9
205.05124	2.2
205.07129	3.4
205.12376	10.7
207.05132	1.8
213.07672	4.4
225.00626	1.5
231.10173	1.7
249.06192	7.6
267.07217	56.5
268.07474	2.1
275.09286	1.7
375.12766	2.3
420.93848	1.1
437.18256	2.9
449.14633	11.2
450.14691	1.8
481.17035	3.4
654.07642	1.2
757.27246	4.5
758.27399	3.2
759.27161	1.5
769.07367	1.3
813.32092	3.1
839.31244	1.3
857.30835	100.0
858.31299	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	856.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
68.99817	0.4
70.67934	0.7
71.01380	3.0
73.02950	0.8
73.09586	0.3
75.00872	2.2
83.01369	0.4
85.02953	3.3
89.02441	0.5
94.28255	0.3
95.01392	0.4
99.00881	4.3
103.04008	0.3
110.90627	0.3
111.00888	0.5
113.02465	1.2
131.11316	0.2
144.74310	0.3
157.01360	0.5
163.27966	0.3
453.33295	0.3
456.73990	0.3
469.33176	0.4
471.35117	0.6
519.63458	0.3
585.37781	0.4
731.43890	0.9
793.43756	47.6
794.44128	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	857.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38251	0.7
67.01894	2.1
68.99810	2.0
69.03457	7.7
71.01389	37.1
72.01729	0.8
72.99316	7.9
73.02942	2.9
75.00877	19.1
75.35924	0.8
79.05541	0.9
81.03468	3.0
83.01398	2.5
83.05045	5.9
85.02956	36.8
87.00879	12.6
89.02454	9.2
91.04010	1.4
91.30338	1.0
93.03453	7.5
95.01388	6.8
95.05045	0.9
96.96026	6.5
97.02934	2.5
97.06614	0.8
98.19894	1.5
99.00886	11.1
99.04530	1.3
99.92590	0.8
101.02477	3.6
103.00380	3.4
107.04379	1.4
107.05039	15.6
108.02166	0.9
109.02944	0.8
109.06634	0.8
111.00909	4.1
111.04546	1.3
113.02457	40.6
114.02705	0.7
115.00376	1.9
116.92863	4.0
117.01952	3.0
121.06583	2.1
123.04523	7.0
125.06091	9.2
127.04007	1.0
129.01933	2.5
131.03508	2.2
133.01437	0.8
133.06548	2.3
133.10214	0.7
135.21686	0.9
137.79945	0.8
149.06046	2.2
151.07664	11.8
154.49265	0.8
157.01436	1.2
161.13354	10.8
169.08682	3.3
169.10054	1.0
173.04561	2.0
173.06113	0.8
175.02463	2.0
187.11272	8.7
189.12875	3.6
191.05632	8.6
193.05098	1.4
195.06561	1.2
205.07245	5.1
205.12366	11.0
207.04955	1.6
207.13954	1.0
209.11826	1.4
210.12219	0.8
213.07579	1.6
213.09328	1.3
231.05008	1.5
249.06154	10.8
251.12764	1.5
267.07214	47.2
268.07516	1.7
271.42847	0.8
393.19049	1.0
437.18369	1.5
439.19455	1.1
449.14301	2.9
481.17026	6.1
556.66754	0.8
589.92932	1.0
647.28693	1.8
813.31464	3.9
839.29608	1.2
857.30835	100.0
858.31213	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	853.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98530	0.1
61.98831	1.8
71.01379	0.3
71.55263	0.1
74.23321	0.1
78.95908	1.2
79.95740	3.9
80.91684	0.1
80.96531	0.9
89.75461	0.1
94.98092	0.2
95.97582	0.1
96.96014	100.0
97.95942	0.2
98.95653	0.1
101.02448	0.2
111.00891	0.6
134.97687	0.1
164.98573	0.1
171.10245	0.1
191.05620	0.2
197.11874	0.1
209.11824	0.5
225.00790	0.2
265.07596	0.1
601.11932	0.1
853.42365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98528	0.1
61.98825	1.7
65.10143	0.1
66.78061	0.1
71.01383	0.3
71.55379	0.1
71.55743	0.1
78.95895	1.3
79.95736	4.0
80.91661	0.1
80.96511	1.0
82.19760	0.1
87.00842	0.1
87.20271	0.1
93.03453	0.1
94.98086	0.3
96.96010	100.0
97.83490	0.1
97.95941	0.2
101.02454	0.1
111.00867	0.4
135.04515	0.1
163.11235	0.1
164.98601	0.1
171.10286	0.1
190.34067	0.1
191.05626	0.1
209.11787	0.5
210.12102	0.1
225.00732	0.2
274.29657	0.1
309.20407	0.1
626.73468	0.1
853.42163	0.6
868.54706	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	855.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04915	1.0
68.99813	2.2
69.03462	16.0
70.22729	3.2
70.23076	1.5
71.01385	38.2
71.57555	0.9
72.99316	7.2
73.02938	2.5
73.06561	0.8
75.00876	17.7
79.05536	1.2
81.03454	2.9
85.02952	39.1
87.00880	16.7
89.02448	10.1
89.45540	1.0
93.03462	3.2
96.95998	3.7
97.02945	6.5
99.00882	13.9
101.02441	3.9
103.00372	3.4
105.07124	1.1
106.04254	1.4
107.05001	2.0
108.02195	5.3
111.00891	12.3
112.01218	1.2
113.02458	54.3
114.02716	1.2
115.00358	1.5
117.01972	2.3
121.06591	4.4
123.04539	25.5
124.04851	1.0
129.01938	3.3
134.03767	2.4
135.04517	5.3
135.07976	1.0
139.99756	0.9
149.04938	1.3
149.06102	8.9
155.38322	0.9
157.01373	1.7
161.13379	16.3
167.07086	2.8
173.00911	1.2
173.04584	1.1
175.02504	2.3
187.11293	12.5
191.05582	5.5
193.05049	6.0
205.07181	7.5
205.12328	15.5
206.12587	1.6
207.05070	2.6
213.09175	2.3
231.05125	1.7
231.10356	1.5
249.06116	11.0
267.07217	66.8
268.07593	3.3
308.08810	1.3
393.19492	1.7
437.18048	2.3
481.17252	8.1
681.16974	1.1
811.29810	1.9
837.28009	1.4
855.29291	100.0
856.29822	18.2
862.11572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	6.7
63.57317	0.9
67.01875	3.3
68.99808	2.4
69.03458	13.2
69.28407	8.9
71.01381	48.0
72.99310	9.2
73.02948	2.8
75.00876	19.7
79.95737	2.6
80.11562	0.9
81.03450	2.0
83.01370	2.5
83.67572	0.9
85.02949	50.9
87.00872	17.2
89.02438	13.9
91.03980	1.6
93.03458	13.4
94.03783	1.6
96.96013	81.9
97.02943	4.0
97.95926	1.3
98.95583	24.6
98.96411	4.6
99.00880	14.7
99.04521	2.5
101.02441	6.7
103.00374	3.6
106.04234	1.1
107.05009	2.5
108.02163	4.5
109.02941	1.1
111.00882	9.2
111.04509	1.8
113.02449	57.1
114.02794	1.4
115.00362	2.5
117.01920	3.7
118.95730	1.0
119.03465	1.1
119.04967	1.5
120.55789	1.1
121.02919	1.7
121.06570	5.0
123.04530	23.2
124.01645	2.1
125.02424	1.7
127.04025	1.3
129.01913	2.3
131.03435	1.8
133.02945	2.2
134.03729	4.4
135.04524	18.6
136.04813	2.9
137.02449	3.0
137.04974	1.4
145.02898	1.1
149.04535	1.5
149.06056	8.3
150.03197	2.5
151.00417	1.3
151.03969	2.8
153.05519	1.0
155.03432	2.0
157.01398	1.5
161.02377	4.5
161.04524	2.7
161.13330	8.7
163.03912	1.6
165.05598	2.3
167.07033	2.7
173.04524	7.3
175.02432	3.0
175.03912	1.5
178.02783	1.3
179.03506	5.1
179.05714	1.5
180.03824	1.4
181.05046	1.6
187.11307	7.6
191.05606	33.1
192.05911	5.1
193.05022	4.5
195.06732	1.1
205.05376	1.6
205.07141	7.8
205.12332	12.4
207.05028	2.1
211.06078	2.4
213.09277	1.6
215.10245	1.2
229.12189	1.1
239.28178	1.0
249.06125	10.6
257.08105	1.6
267.07196	75.5
268.07462	2.2
271.02451	1.1
300.02560	1.7
301.03217	1.4
307.08289	1.2
308.08856	2.3
309.08939	1.5
352.07788	4.0
353.08582	3.4
354.08475	1.1
393.19135	1.7
437.18408	1.8
449.14578	2.0
481.17084	3.2
551.79041	1.0
643.22406	1.3
647.36493	2.0
755.18799	1.4
795.41699	1.1
799.28491	1.1
811.29517	2.2
854.47821	1.8
855.29218	100.0
856.29688	19.6
885.54260	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	0.1
64.90039	0.1
67.01891	0.4
69.03459	0.3
69.45852	0.8
71.01385	0.8
73.02951	0.3
76.35625	0.1
81.03455	0.3
83.05033	0.3
85.02957	7.8
87.00883	1.9
93.03465	4.1
95.01391	0.3
96.96002	0.2
99.00898	0.2
99.04521	0.4
101.02464	0.2
109.02977	0.8
111.04524	1.3
113.02431	0.2
114.71858	0.1
122.27839	0.1
127.04018	1.7
135.04526	0.3
137.02452	0.1
143.03529	0.1
143.04692	0.1
155.03496	0.3
158.03796	0.2
159.04468	0.2
161.02451	0.2
171.03041	0.7
172.05305	1.8
173.04575	1.9
173.06012	0.2
179.03493	0.1
181.04939	0.2
183.04477	0.7
187.04048	0.4
187.07655	13.6
188.08011	0.7
189.05615	0.2
191.05618	100.0
192.05949	2.8
199.04019	1.2
200.04831	0.5
201.05486	0.3
202.06354	0.4
204.04298	0.3
211.04001	0.3
211.07710	0.3
213.05751	0.1
213.09251	1.6
214.06384	0.3
215.07120	3.2
216.07539	0.1
218.00917	0.1
227.03516	2.1
228.04288	1.8
229.04929	0.1
229.08630	0.9
231.06599	0.3
231.10309	1.1
239.07103	0.1
257.08197	16.6
258.08588	0.8
275.09247	1.8
304.97421	0.1
405.11887	0.4
431.13495	0.2
449.14566	10.7
450.14954	1.0
461.14264	0.2
467.15369	0.4
481.15283	0.2
529.12238	0.1
533.16174	0.1
673.21545	0.6
840.05988	0.1
853.27496	1.0
854.27795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89160	0.1
61.97693	0.1
67.01895	0.4
69.03467	0.2
71.01386	0.8
71.32268	0.2
73.02956	0.3
78.08173	0.1
81.03466	0.4
83.05033	0.2
85.02950	8.5
86.03296	0.1
87.00878	1.7
93.03459	3.4
95.01407	0.1
96.96033	0.1
99.04530	0.4
101.04150	0.1
106.20470	0.1
107.05013	0.1
109.02975	0.8
111.04518	0.9
124.65476	0.1
127.03149	0.2
127.04021	2.2
135.04529	0.4
137.02505	0.3
155.03506	0.3
159.04504	0.3
161.02390	0.2
171.03050	0.6
172.05286	1.6
173.04561	1.5
173.05946	0.2
178.49742	0.1
183.04457	0.7
187.04030	0.4
187.07645	14.0
188.07999	0.6
191.05608	100.0
192.05951	2.6
198.06850	0.2
199.04036	1.4
200.04794	0.8
201.05351	0.2
202.06371	0.4
204.04262	0.4
211.04045	0.3
211.07658	0.4
213.09195	1.7
214.06339	0.3
215.07115	3.2
226.02789	0.1
227.03487	2.2
228.04279	1.7
229.08717	1.0
231.06535	0.3
231.10175	1.1
255.06631	0.1
257.08185	16.5
258.08472	1.0
275.09262	1.7
405.11932	0.5
449.14517	9.5
450.14899	0.8
461.14929	0.2
509.06174	0.1
518.53925	0.1
533.16943	0.2
638.13983	0.1
673.21326	0.5
853.28052	1.3
854.27997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98832	7.2
62.36644	0.1
69.49079	0.6
71.01384	1.4
73.02969	0.2
77.86440	0.1
78.95908	1.1
79.95274	0.2
79.95747	3.7
80.96538	0.9
81.03472	0.1
83.05022	0.1
85.02950	0.1
87.00875	0.2
89.02447	0.2
94.98088	0.3
96.96017	100.0
97.95949	0.2
101.02450	0.2
113.02490	0.2
125.02545	0.1
125.09735	0.1
146.69531	0.1
161.09773	0.1
163.11337	0.2
164.98650	0.2
171.10321	0.4
191.05603	0.3
197.11812	0.2
201.11340	0.3
207.10278	0.4
209.11818	2.0
210.12189	0.2
225.00748	0.2
225.11292	0.6
227.12920	0.2
235.08124	0.1
277.59622	0.1
291.92505	0.1
305.17926	0.1
309.20590	0.2
397.13217	0.4
404.09213	0.1
415.14508	0.2
485.32910	0.1
681.28314	0.4
833.36633	0.1
851.38806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
59.43876	0.1
60.70867	0.1
61.98829	100.0
62.98548	0.2
69.80279	0.1
70.20702	0.1
71.01406	0.7
71.55500	0.2
78.91921	0.2
78.95936	0.2
79.95744	0.3
80.91706	0.2
80.96529	0.5
82.13605	0.1
96.96011	1.3
101.02454	0.2
111.00838	0.1
128.38742	0.1
171.10204	0.3
191.05684	0.2
207.10371	0.3
209.11876	0.7
210.12141	0.2
225.00734	0.2
225.11346	0.3
369.37961	0.1
383.66214	0.2
445.94550	0.1
850.41052	0.2
851.41168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	0.6
59.01382	11.4
65.62189	0.6
69.03458	0.7
71.01383	12.5
71.53911	0.7
72.99309	1.2
73.02946	2.0
83.01395	1.3
83.05003	1.2
85.02956	2.9
87.00857	2.4
89.02449	9.8
95.01380	0.9
95.05042	1.2
95.47499	0.6
97.02969	1.4
97.06589	3.0
99.00852	1.1
101.01803	0.7
101.02440	9.0
105.67998	0.5
113.02451	3.9
119.03485	2.0
121.02917	0.6
125.02454	1.8
134.74608	0.6
137.02374	0.5
143.03481	1.5
145.05231	0.5
151.11302	9.7
161.04533	1.7
169.12335	35.8
170.12595	1.5
195.10292	0.8
213.11372	3.2
221.06546	1.2
235.08260	1.1
255.23291	39.9
256.23639	1.9
397.13492	2.7
420.53070	0.6
428.11554	0.6
581.20038	0.7
849.48541	100.0
850.48724	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	849.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.0
61.98821	1.5
68.99828	0.9
69.03457	6.2
71.01379	17.1
71.05018	1.6
72.99303	1.8
73.02950	2.3
80.02654	1.2
81.03470	1.6
83.01389	1.9
83.05030	5.6
84.02162	1.5
85.02966	4.9
87.00861	2.9
89.02438	8.9
93.03452	2.5
95.01363	1.2
95.04997	1.5
96.96014	4.3
97.02939	1.8
98.19894	1.9
99.00896	1.6
99.04500	1.2
101.02438	8.2
109.02937	0.8
109.06586	1.2
111.00866	4.2
111.04493	1.3
111.37460	0.7
113.02438	4.0
119.03460	1.6
123.08096	1.7
125.02431	2.3
125.09690	3.4
127.03949	0.8
131.03516	0.8
134.03705	0.7
135.04575	1.5
135.08217	0.8
136.97391	0.8
137.02438	1.3
137.09770	0.8
140.09955	0.7
151.11234	2.1
153.12790	1.2
161.02391	1.1
161.04538	1.2
161.09708	3.4
163.11266	4.2
163.36505	0.6
165.12834	2.3
171.10297	0.9
173.04538	1.8
179.10751	6.2
191.05585	9.3
191.10768	1.0
192.05994	0.7
197.11829	45.3
198.12126	1.6
207.10220	1.8
209.11815	56.2
210.12146	2.6
221.06601	1.8
223.09779	1.2
225.11301	1.5
227.12852	2.6
235.08434	0.8
241.10759	2.9
242.10646	0.7
253.09305	0.7
397.13556	2.1
542.79633	0.7
553.54474	0.8
583.86914	0.7
671.87421	0.7
849.37592	100.0
850.37872	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	849.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.0
61.98538	0.7
61.98833	11.6
68.99837	0.7
69.03448	2.3
69.31326	1.7
69.31747	2.6
71.01003	1.2
71.01386	21.4
72.99301	2.1
73.02947	2.9
75.00857	1.0
79.95729	0.7
80.02686	1.7
81.03445	2.1
82.88729	0.6
83.01382	2.8
83.05028	7.1
84.02162	1.6
85.02961	6.0
87.00869	4.4
89.02454	12.2
93.03440	2.4
95.01384	1.8
95.05017	2.0
96.96008	4.2
97.02969	2.8
97.06578	1.2
98.19827	1.1
99.00877	1.6
99.04501	0.8
99.61901	0.6
101.02456	13.4
107.05038	0.8
108.22446	0.6
109.02984	0.9
109.06600	0.6
111.00876	0.8
111.04517	2.3
112.04918	0.5
113.02439	7.0
119.03556	3.4
121.69497	0.6
123.08145	0.8
125.02456	3.6
125.06122	0.6
125.09715	1.4
127.04021	0.7
131.03535	1.1
135.04527	1.7
135.08170	1.1
141.01926	0.7
143.03464	1.4
145.02872	0.7
149.04543	0.7
151.11288	2.1
153.12793	1.4
161.04555	2.2
161.09758	1.0
163.11241	5.1
165.12869	2.8
167.03534	0.7
169.12344	15.5
170.12622	0.7
171.10289	4.5
173.04591	1.3
179.05609	2.0
179.10748	2.4
181.12386	0.9
185.11868	0.7
191.05635	11.5
191.07274	0.5
191.10791	1.0
192.05910	0.8
197.11835	35.2
198.12152	0.8
205.08612	0.8
207.10191	1.6
209.11839	67.3
210.12146	2.9
213.11214	0.7
221.06575	3.1
223.09766	5.3
225.11383	1.3
227.12930	6.5
235.08061	1.0
255.02972	0.8
285.03894	1.0
300.02728	1.0
301.03497	0.6
397.13498	7.7
415.14459	1.8
449.14276	0.8
621.23914	1.0
755.45844	0.7
813.35822	1.8
831.36786	2.2
849.37646	100.0
850.22021	0.8
850.37976	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	848.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
60.07874	0.1
61.98835	100.0
71.01395	0.5
71.55619	0.1
77.51501	0.1
78.95897	0.2
79.95762	0.2
83.11506	0.1
88.98856	0.2
95.09135	0.1
96.96014	2.8
109.06617	0.2
164.50940	0.1
174.73909	0.1
179.10854	0.2
180.27164	0.1
190.71017	0.2
191.05634	0.2
196.91887	0.1
207.10330	0.2
208.10651	0.2
209.11757	0.6
210.12285	0.2
227.90102	0.1
276.68567	0.1
323.64713	0.1
628.13947	0.1
681.64111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.7
67.01894	8.3
68.99815	13.1
71.01382	13.7
71.55689	2.0
72.99319	1.4
75.82309	1.0
79.95740	1.6
81.03466	1.3
83.01394	1.4
85.02956	9.5
87.00880	2.3
89.02455	12.1
93.03452	10.7
95.01375	1.7
95.04989	1.1
96.96000	9.1
99.00863	1.8
99.04524	3.4
101.02433	24.2
105.03477	3.5
107.05021	1.6
109.02940	5.2
113.02446	4.5
115.33628	1.0
117.03441	4.6
119.03528	3.0
119.05006	4.3
120.72413	1.0
120.99639	1.2
121.02953	11.9
123.04507	4.9
127.04011	26.2
133.02959	15.5
133.06607	9.1
135.04521	4.8
137.02469	1.5
137.06059	1.3
145.02943	17.9
147.04492	2.1
149.02504	1.3
149.06088	1.5
151.00397	3.0
155.03455	1.6
157.02960	1.2
161.02437	46.2
161.04543	2.5
162.02847	2.5
163.04015	4.4
165.05595	3.1
173.02448	7.3
173.04492	5.6
175.11278	1.4
177.05608	2.3
177.41449	1.1
178.99829	1.5
179.03415	1.6
179.05583	1.3
185.03833	1.3
191.03503	51.7
191.05598	37.5
192.03896	1.7
192.05923	2.6
193.05049	35.1
194.05345	1.7
195.06544	2.9
205.05046	14.5
223.06102	100.0
224.06445	5.1
229.01425	3.4
241.07178	9.6
291.12833	1.7
321.03946	1.6
339.05087	6.5
367.10394	2.5
396.42239	1.1
402.19504	1.1
403.12393	4.5
416.93918	1.2
467.15515	1.2
495.09302	2.8
507.14755	1.3
513.10266	6.8
627.19250	42.7
628.19702	4.8
657.14355	3.2
849.21368	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	847.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.5
61.98833	30.5
68.46666	2.0
70.75403	6.0
71.01382	100.0
73.02960	4.6
75.00893	2.8
79.08395	1.9
80.02663	2.0
81.03445	3.8
83.05043	6.1
85.02968	4.1
87.00864	3.4
89.02450	4.0
95.86229	2.3
96.96038	3.5
97.02948	3.6
99.00906	2.5
101.02467	6.5
101.53760	2.0
107.05058	3.0
109.06603	17.3
111.00912	4.2
113.02453	3.2
119.83742	2.1
119.84718	2.0
121.06610	2.6
125.09700	3.4
163.11316	18.6
165.12962	2.2
171.10278	24.2
172.10510	2.6
181.12387	4.7
201.11328	12.3
207.10239	38.5
208.98398	2.2
209.11830	99.6
210.12155	7.9
222.73416	2.0
225.11307	33.6
226.11565	3.2
227.12874	13.5
235.08293	3.6
243.12549	2.2
253.09259	12.8
384.23395	2.1
397.00641	2.9
397.05856	2.0
417.22809	5.4
461.20450	12.3
564.33905	2.5
635.30762	4.7
653.31512	3.4
671.32806	7.4
672.33124	2.8
851.29407	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	847.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98817	0.7
67.01918	0.3
71.01382	2.8
71.12916	0.7
73.02944	0.8
75.00859	0.6
82.82002	0.3
85.02933	2.1
87.00875	0.6
89.02458	0.4
92.74210	0.3
93.03460	1.4
95.01395	0.4
96.96010	4.2
97.02928	0.4
99.00885	0.6
101.02425	1.6
107.05113	0.3
108.02156	0.6
109.02954	0.9
111.00847	0.7
113.02460	0.7
117.03468	8.4
119.05035	5.6
120.05322	0.4
120.99659	100.0
121.99976	1.1
123.00849	0.4
124.01653	0.4
130.78635	0.3
133.02979	0.6
134.03735	0.4
135.04442	0.6
137.02455	0.8
145.02954	33.0
146.03299	1.3
149.02496	0.4
150.03270	0.5
151.00383	1.2
152.01143	0.4
153.01881	0.5
159.04494	0.4
160.01677	0.4
161.02449	0.8
161.04652	0.6
161.06067	0.8
163.04015	4.9
165.05623	0.5
166.02715	4.6
173.04562	1.1
175.03996	1.0
176.04860	0.4
179.03476	0.6
181.05075	4.6
187.04005	0.5
191.05615	6.8
193.04919	0.4
195.06528	0.5
197.12045	0.4
206.05913	0.5
221.08194	0.7
247.06299	0.4
307.08249	11.8
307.11829	0.7
308.08597	0.7
327.35641	0.3
363.16519	0.5
387.10516	0.6
387.14972	0.4
388.11783	1.1
389.18097	0.4
403.13950	5.2
405.17868	0.4
417.15585	0.4
446.03680	0.3
449.14594	0.4
585.23230	0.4
725.24469	24.6
726.24628	4.3
726.36713	0.4
847.27533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.4
61.98838	4.7
65.12130	1.6
71.01384	96.7
71.54756	2.2
72.99298	2.2
73.02937	3.9
80.02675	4.8
81.03448	5.6
83.01414	2.4
83.05032	9.7
84.02144	2.6
85.02950	5.4
87.00879	3.8
88.98799	6.7
89.02438	7.5
93.03439	2.1
95.05038	3.4
97.02954	13.6
97.06611	2.4
99.00861	2.5
101.02442	7.2
109.02921	2.1
109.06596	31.0
110.03733	3.0
111.00938	2.8
111.04517	7.0
113.02459	4.6
123.08167	2.3
125.06075	3.0
125.09721	8.2
126.16578	2.0
127.11361	3.2
135.08171	5.8
142.02710	2.6
145.38518	1.8
153.35225	1.7
161.09737	7.7
163.11279	19.2
164.11588	2.2
171.10271	32.0
177.09290	2.4
179.10776	9.5
181.12332	6.9
185.11816	4.6
187.09750	2.1
189.09207	2.1
196.07126	2.1
197.11803	6.6
199.60553	1.8
201.11333	5.3
205.08696	17.7
207.10263	66.8
208.10583	2.8
209.11826	100.0
210.12167	4.9
213.11307	4.9
223.09756	45.6
225.11317	39.7
227.12900	17.6
235.08162	5.1
235.13321	2.0
253.09293	17.0
415.21112	3.1
441.17584	2.9
459.18600	8.1
461.20587	9.4
477.19675	2.6
597.30096	3.0
615.31891	2.1
625.28613	3.1
633.29810	3.8
651.30029	16.2
652.31274	2.6
669.31317	14.6
670.31525	4.2
687.32428	11.2
688.32861	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	843.452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	11.7
61.98849	8.2
69.57866	48.3
71.01406	13.5
80.96542	12.1
84.52236	7.0
86.00968	7.3
89.02446	12.6
96.64107	6.7
101.02429	14.6
113.02454	12.6
120.62080	6.8
125.02385	9.9
171.10262	92.0
201.65295	8.0
225.00777	8.3
235.08362	9.1
255.23332	68.2
356.57233	8.2
379.12393	39.1
397.13477	47.9
415.14487	18.2
415.22601	8.6
559.46832	9.9
581.21063	8.7
595.08130	9.0
635.36029	12.7
653.37402	12.5
843.45178	100.0
844.45459	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	843.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.0
65.03940	1.9
67.01862	2.9
68.99817	4.7
69.03443	2.4
71.01376	33.7
71.55733	0.9
72.99303	7.6
73.02949	2.5
75.00871	21.9
79.05496	1.1
80.36697	0.7
81.03438	1.8
83.01366	2.5
83.04995	0.9
84.06010	0.7
85.02950	32.0
86.03238	0.8
87.00871	11.8
89.02428	8.5
91.03970	1.7
91.05506	2.3
93.03457	100.0
94.03781	2.2
95.01382	6.8
96.96011	8.9
99.00268	1.3
99.00878	17.3
99.04539	1.1
101.02428	2.3
103.00372	2.2
107.05025	7.3
108.02105	1.0
109.02926	2.1
109.06590	1.8
111.00838	2.4
111.04494	2.7
112.01594	1.0
113.02446	39.8
115.00333	3.1
117.01915	2.9
117.03400	1.0
119.05017	15.0
121.02907	1.7
129.01918	3.2
130.02098	0.8
133.02975	1.1
133.10216	1.4
135.04535	5.0
135.11783	4.0
137.02443	29.4
137.06079	22.2
138.02782	1.0
138.06374	0.8
143.08662	1.0
151.03981	0.9
157.01369	2.4
159.08159	1.0
159.11746	1.1
161.02425	1.7
161.04572	1.3
161.09727	8.2
163.03992	7.7
165.01942	1.2
173.04431	1.0
175.02455	1.7
179.03467	1.2
179.10768	13.1
180.11021	0.8
181.05072	25.6
182.05392	1.3
188.66795	0.9
191.05592	8.6
193.12309	1.2
205.07085	2.6
205.08714	1.1
207.02921	4.1
207.05035	2.1
221.44586	0.9
223.09846	1.2
225.03984	3.0
231.04980	1.7
249.03783	1.2
249.06174	15.4
253.16554	0.9
265.10867	0.9
267.07205	55.7
268.07501	3.1
317.49570	0.8
411.16531	2.3
429.17282	1.4
455.15625	5.3
456.15533	0.9
473.16531	3.6
575.19446	1.4
617.20886	7.9
618.21808	1.7
635.21643	4.9
678.71649	0.9
755.27570	1.7
776.64795	0.9
799.11279	1.2
799.26593	41.0
800.26904	8.4
843.25616	64.0
844.25720	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	841.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.1
66.12342	0.3
67.01873	0.4
68.99812	0.9
69.03442	0.6
69.26295	0.8
69.26712	1.7
70.81789	0.3
71.01382	16.6
71.05003	0.5
71.96356	0.3
72.99305	4.3
73.02948	0.8
75.00870	30.3
81.96973	0.3
83.01397	0.8
85.02949	24.1
87.00870	6.6
89.02446	2.3
92.69234	0.3
93.03506	0.3
95.01388	2.6
96.96040	1.6
99.00877	5.5
101.02432	1.0
103.00428	0.3
111.00887	0.7
111.04580	0.3
112.01666	0.6
113.02446	18.8
114.02785	0.5
115.00388	1.9
116.01144	1.4
117.01940	1.0
129.01941	0.9
133.01448	0.3
134.03694	0.4
135.04509	0.7
136.35025	0.3
139.00337	0.3
139.18423	0.2
149.06114	0.3
152.26457	0.3
157.01389	1.2
158.13240	0.3
161.02441	0.4
173.04628	0.5
175.02412	1.0
186.05217	0.3
191.05634	1.4
267.07108	0.6
277.52637	0.3
315.30328	0.3
317.24509	0.3
391.30002	0.3
405.93106	0.2
435.28851	0.3
485.32846	0.6
503.33978	1.7
599.36414	0.4
617.37195	1.5
635.37970	0.5
679.36285	1.7
833.29236	0.4
841.42261	100.0
842.42560	22.2
843.42865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.7
61.39533	0.8
61.98809	1.2
67.01880	2.0
68.99815	2.6
69.00989	0.8
69.03463	1.1
71.01383	25.0
72.01748	0.9
72.99293	2.7
73.02937	1.6
74.57881	0.9
75.00873	9.5
83.01380	2.1
85.02953	18.0
87.00879	5.7
89.02446	7.3
93.03428	2.1
95.01398	4.2
96.96006	5.0
98.98747	0.8
99.00260	1.6
99.00880	19.6
101.02453	7.4
111.00880	57.1
112.01198	10.4
113.01331	3.6
113.02446	16.4
116.92871	1.6
119.03497	2.0
131.03510	0.9
133.02928	1.5
135.04521	3.0
157.01370	2.2
158.57423	0.8
160.01642	0.9
161.02422	3.2
161.04535	2.2
173.00897	6.5
173.04523	2.1
175.01202	1.2
179.03416	0.9
191.05577	8.4
196.73857	1.0
239.11740	1.1
285.12564	1.2
426.57074	1.0
437.30643	1.7
453.29916	1.0
455.31650	3.4
485.32947	1.7
492.13388	0.9
524.82849	1.0
594.20605	1.0
641.26276	2.1
650.31219	0.9
707.41089	1.1
841.42242	100.0
842.42542	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	834.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.1
61.98834	100.0
62.98537	0.1
71.01384	0.2
71.55349	0.1
78.95927	0.1
79.95746	0.1
80.96531	0.2
89.02431	0.1
92.72377	0.1
96.96017	0.2
109.06612	0.1
111.00872	0.4
189.71501	0.1
191.05666	0.2
207.10316	0.2
209.11879	0.3
225.11421	0.1
431.28223	0.2
432.28229	0.2
445.29736	0.1
624.46924	0.1
834.38007	0.2
834.52832	0.2
835.38275	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.4
59.01384	8.8
61.98812	0.2
69.03455	0.5
71.01385	8.0
71.05051	0.3
72.01696	0.1
72.99311	0.7
73.02956	1.3
75.00859	0.2
80.02671	1.3
81.03456	2.0
83.01383	1.1
83.04516	0.2
83.05030	5.8
84.02173	0.9
85.02948	2.0
87.00886	1.6
89.02449	7.2
91.03997	0.2
92.30944	0.1
93.03467	0.5
95.01386	0.4
95.05026	0.8
96.95998	1.0
97.02937	1.1
97.06591	0.3
99.00883	0.4
99.04568	0.3
101.02449	5.9
106.35699	0.2
109.06573	0.2
111.00890	1.8
111.04539	0.2
111.08124	0.2
113.02451	3.4
119.03492	2.0
121.02946	0.2
123.00896	0.2
125.02457	2.2
125.06074	0.5
125.09721	0.2
131.03488	0.3
133.05099	0.2
135.08182	0.9
139.04031	0.2
143.03548	0.9
145.05032	0.2
147.11765	0.2
149.04530	0.2
161.02472	0.2
161.04576	1.8
163.11298	4.6
165.12857	2.6
167.03511	0.2
171.10272	0.7
171.11757	0.2
173.00963	0.3
173.04521	0.2
179.05626	1.8
181.12376	0.5
191.05682	0.9
191.10820	1.1
198.78435	0.1
209.11833	100.0
210.12161	5.1
217.07172	0.4
221.06664	0.7
221.11786	0.2
227.12891	14.7
228.13206	0.6
234.64766	0.2
235.08228	2.4
247.13405	0.7
251.12888	0.5
253.09352	0.6
259.08047	0.2
263.07755	0.3
287.07648	0.7
305.08801	1.3
323.09805	0.5
324.10001	0.2
361.11319	0.2
379.12460	3.2
397.13507	19.1
398.13858	1.6
415.14569	5.3
416.14835	0.5
583.82184	0.2
589.25256	0.5
607.26147	1.5
727.02203	0.2
799.37817	0.5
817.10083	0.2
835.43958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.1
59.01379	27.6
65.03961	0.6
67.01907	0.6
69.03455	1.5
71.01380	22.4
71.05003	0.8
72.99303	2.3
73.02951	3.1
75.00864	1.2
80.02697	2.9
81.03457	6.4
83.01392	3.0
83.05023	9.0
84.02174	2.1
85.02954	5.3
87.00871	5.1
89.02445	17.4
90.02780	0.5
93.03468	2.7
95.01398	3.1
95.05048	1.7
96.96001	3.7
97.02949	10.0
97.06551	0.7
99.00858	2.4
99.04562	0.6
101.02439	14.3
107.05045	1.2
109.02956	1.1
109.06588	28.3
110.03737	2.0
110.06924	0.7
111.00883	9.0
111.04528	0.9
112.01218	1.0
113.02451	8.4
119.03488	3.8
121.02972	0.6
121.06606	2.2
123.04486	1.0
125.02450	6.0
125.06092	0.9
125.09702	2.8
126.90411	1.2
131.03516	0.9
133.05058	0.7
135.04539	0.6
135.08154	5.5
136.05290	1.9
141.01912	1.0
142.02736	2.4
143.03510	1.8
145.05147	0.5
147.11826	0.7
149.04559	1.0
149.21620	0.5
158.93898	0.6
161.04567	3.0
161.09692	2.3
163.11285	19.8
164.11644	0.9
165.12817	3.1
171.10251	2.2
173.00958	1.3
179.05589	5.4
179.10689	0.7
181.12361	5.6
185.11780	1.4
187.09775	1.1
189.09184	1.5
191.05617	3.2
191.10785	1.7
201.11310	0.7
207.10255	74.5
207.86197	0.5
208.10536	3.4
209.11823	100.0
210.12144	3.9
213.09102	0.6
217.12309	0.9
221.06592	2.8
221.11790	0.8
223.13290	0.7
223.27722	0.6
225.11314	40.5
226.11684	1.2
227.12878	13.8
228.13156	0.6
235.08162	3.7
235.13271	0.7
243.12357	1.8
247.13451	0.9
249.11263	1.7
251.12990	0.9
253.09163	0.8
263.12878	2.1
269.54840	0.6
281.13974	0.7
287.07614	1.1
299.15085	1.5
305.08853	1.0
323.09998	1.0
373.23782	0.8
379.12476	2.1
397.13486	27.5
398.13925	1.8
399.21686	3.9
401.88882	0.7
415.14569	10.2
417.22897	4.9
418.23218	0.9
435.23917	0.7
509.28348	0.7
523.44696	0.5
605.24725	4.1
606.24786	0.7
607.26782	0.7
623.25604	7.5
655.11652	0.6
680.36902	1.4
681.37628	0.6
789.36169	0.6
797.21252	0.9
797.36017	14.2
798.36664	3.0
815.36987	19.5
816.37439	3.8
833.38068	37.0
834.38489	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	832.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
61.98830	100.0
65.97291	0.1
66.36376	0.1
66.38982	0.1
71.01384	0.3
71.47808	0.1
78.95926	0.4
81.88391	0.2
85.02980	0.2
90.49731	0.1
92.92815	0.2
96.96034	0.2
98.19836	0.2
116.38182	0.1
128.39996	0.1
191.05704	0.3
197.11743	0.2
207.10339	0.2
209.11893	0.5
225.11459	0.2
232.36490	0.2
255.23227	0.2
267.19153	0.1
309.20950	0.2
315.25406	2.1
396.23703	0.2
510.47699	0.2
832.51044	0.2
833.39673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00569	0.4
59.01109	0.4
59.01382	5.9
61.98828	0.5
67.01875	0.9
68.99813	1.1
69.03457	0.6
70.70024	0.8
71.01386	12.6
72.99310	4.2
73.02938	1.1
75.00876	33.5
79.95734	0.4
82.40002	0.3
83.01382	1.0
85.02956	29.0
86.03288	0.4
87.00873	5.0
89.02455	1.6
93.03470	1.7
95.01369	2.3
96.96011	6.9
98.95598	0.7
99.00891	4.2
99.04491	0.6
100.88542	0.4
101.02463	1.1
108.02164	0.4
111.00884	3.7
112.01685	0.7
113.02454	20.7
114.02770	0.5
115.00406	1.9
116.01154	1.1
117.01935	1.2
118.98000	0.4
119.05004	0.4
127.03904	0.3
129.01917	1.3
133.01440	0.6
135.04474	0.5
137.89752	0.3
139.00352	0.3
150.04227	0.8
157.01399	1.0
161.02438	0.9
161.04568	0.5
173.04579	1.2
175.02518	0.8
179.03485	0.5
191.05637	6.2
208.85904	0.4
267.07333	0.4
330.04395	0.3
377.28659	0.5
393.31656	0.7
405.31754	0.8
437.30429	0.5
439.31775	0.4
441.33530	0.4
449.14563	0.4
487.34348	1.5
621.52283	0.5
663.37616	1.4
664.37640	0.5
753.97296	0.5
825.42810	100.0
826.43079	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	825.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.6
60.03469	2.4
61.98822	6.0
71.01382	26.8
72.99316	4.8
73.02945	7.0
75.00881	11.7
79.95729	3.1
85.02951	19.8
85.52684	1.9
87.00879	8.9
88.98833	2.3
89.02433	4.9
93.03466	7.9
95.01364	3.2
96.96002	42.0
99.00876	24.1
99.04496	3.2
99.92590	7.6
101.02450	6.9
111.00881	16.3
113.02460	11.2
115.51656	2.5
116.92858	65.8
117.01919	5.9
117.92870	24.4
118.92639	12.9
118.93432	2.7
118.96944	3.1
118.99823	3.5
119.03500	2.3
119.05081	1.9
134.89565	3.3
135.04520	3.0
144.78784	2.4
161.02454	4.1
173.04558	5.5
191.05617	31.2
192.05931	2.3
203.48837	2.2
209.11797	9.9
253.09308	2.2
329.06723	3.4
385.89291	2.5
455.31277	5.3
825.42847	100.0
826.43280	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	827.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67794	0.4
59.01371	1.5
59.84499	0.4
65.00329	0.7
68.76516	0.5
70.04323	1.0
70.04713	1.1
71.01356	0.5
83.01415	0.5
85.06621	0.5
93.03475	1.3
96.96078	0.5
98.20562	0.6
103.59737	0.4
107.01392	1.8
108.02174	1.7
109.02978	1.3
113.06097	0.7
121.02989	1.4
131.07143	2.0
135.00945	0.5
135.04587	0.5
148.01715	0.4
151.00380	7.7
152.01205	0.5
153.01880	0.7
161.02429	1.0
163.00389	1.8
164.01198	0.9
178.99852	3.9
191.05626	2.5
193.01457	0.4
211.03941	0.6
216.04317	0.5
224.97684	0.5
227.03468	1.6
229.05104	0.7
243.02965	5.5
245.04523	0.8
254.02208	1.6
255.03000	17.2
256.03351	1.0
271.02487	34.8
272.02911	2.8
283.02545	1.1
299.01846	1.2
300.02756	72.1
301.03467	27.5
302.03876	1.6
609.14618	100.0
610.14935	13.6
721.05255	0.6
827.30908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.3
59.01099	0.4
59.01379	5.3
61.98825	0.3
67.01885	0.3
68.99805	0.8
69.03471	0.5
69.23757	2.2
71.00999	0.5
71.01385	9.0
72.99310	3.2
73.02941	0.8
75.00876	28.9
83.01383	0.7
84.02155	0.3
85.02958	14.4
87.00379	0.4
87.00873	3.9
89.02431	0.8
93.03464	0.6
95.01387	1.6
96.96007	0.7
98.19894	0.3
99.00891	4.6
99.92555	0.3
100.43654	0.2
101.02425	0.6
103.00368	0.4
111.00880	2.9
113.02452	8.2
113.13524	0.3
115.00365	1.7
116.01144	0.5
116.92862	3.8
117.01923	1.1
129.01917	0.8
144.44205	0.2
157.01421	1.4
175.02551	1.2
191.05591	2.1
242.69342	0.3
403.53629	0.3
439.32346	0.5
469.33133	0.4
487.34274	4.5
488.34671	0.6
501.35663	0.3
529.35278	2.3
530.35468	0.5
543.33490	0.7
570.90656	0.3
587.36200	0.4
601.37457	9.1
602.38141	1.4
619.38635	4.1
620.39008	0.4
663.37488	2.2
825.42804	100.0
826.43127	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	825.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.4
59.01384	12.5
61.98829	0.6
67.01893	0.5
68.99825	1.5
69.03470	1.2
71.01387	28.1
71.05022	0.8
72.01740	0.3
72.99313	3.6
73.02952	4.3
75.00877	9.7
81.03478	0.4
83.01398	2.1
83.05030	0.3
84.02165	0.4
85.02956	20.3
86.00098	1.4
86.03314	0.4
87.00882	8.0
87.04523	1.1
89.02448	3.0
93.03465	0.6
95.01395	2.1
96.96012	1.2
99.00887	25.7
99.04509	0.3
99.92596	0.2
100.01237	0.4
101.02457	1.7
103.04005	0.6
109.02972	0.3
111.00889	9.4
112.01729	1.1
113.02458	15.3
114.02811	0.2
115.00404	0.9
115.04015	0.8
116.92861	1.1
117.01936	0.2
119.03507	0.4
120.42416	0.2
120.99660	0.2
127.04013	0.3
129.01967	0.2
131.03505	1.8
133.02951	0.2
134.89465	0.2
135.04559	0.4
137.02493	0.2
139.00331	0.4
143.03517	1.4
145.02977	0.3
145.05080	0.3
157.01440	2.1
161.02457	0.5
161.04530	0.2
171.10249	0.2
173.00914	1.5
173.04562	0.4
183.91129	0.2
191.05663	2.5
191.14432	0.2
192.05962	0.2
201.11185	0.2
205.07213	0.3
209.11833	0.4
225.38602	0.2
233.06726	1.1
235.08186	0.2
259.08234	0.6
263.07693	0.3
295.08191	0.2
306.11050	0.2
321.08423	0.3
343.21283	0.2
389.28979	0.2
395.29602	0.2
407.29840	0.2
409.31009	0.3
411.32715	0.3
435.28659	0.3
437.30612	1.3
438.30948	0.2
453.30142	2.2
455.31668	4.5
455.38025	0.3
456.31860	0.6
461.29141	0.2
485.32693	1.2
503.33582	2.1
533.30762	0.2
567.33081	0.3
585.34167	0.8
593.19354	0.2
599.36108	0.2
617.37103	0.3
643.34863	0.4
661.35834	1.0
691.41101	0.3
763.42725	1.5
764.43213	0.3
781.43658	0.7
820.00531	0.2
825.42816	100.0
826.43140	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	825.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85577	2.0
58.99948	2.1
59.01382	4.6
60.50223	2.1
61.98832	3.4
70.92436	2.0
70.92744	3.6
71.01381	30.5
82.95432	23.1
83.05038	2.9
85.02924	2.6
87.00885	2.3
89.02500	2.4
96.96023	28.8
109.06612	7.4
113.02427	2.7
115.07653	6.9
163.11388	4.9
165.12910	2.1
171.10236	10.1
181.12358	2.0
191.05600	6.9
199.09755	8.6
201.11342	6.0
207.10263	14.5
209.11833	100.0
210.12256	4.9
225.11310	14.3
226.11650	2.4
227.12920	23.6
235.08206	4.9
236.53886	2.1
253.09337	11.5
353.49722	2.0
421.40829	2.4
445.20975	2.4
461.20535	3.4
609.28796	4.9
627.29999	5.8
635.30737	3.2
653.30475	7.3
671.32782	5.3
689.33234	2.3
791.54694	2.5
825.40186	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	825.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.6
60.01700	0.2
69.53706	1.1
71.01368	0.2
79.95715	1.1
85.02956	0.4
93.03479	0.4
96.96015	65.7
97.95981	0.3
98.19888	0.4
101.02454	0.4
121.11066	0.2
123.08169	0.6
127.03985	0.2
135.04509	0.2
167.10735	1.1
173.04515	0.3
179.03593	0.2
191.05603	2.6
227.12895	19.1
228.13341	1.0
307.08569	100.0
308.08899	5.5
517.23022	0.6
633.18591	0.3
656.53955	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.6
61.98824	12.1
69.03454	2.6
70.68058	1.7
70.68396	2.3
71.01379	13.5
71.38593	1.1
73.02928	2.4
75.75397	1.2
79.95722	1.7
80.96516	11.2
82.95420	6.6
83.01395	1.4
84.58014	1.0
85.02940	5.5
87.00871	3.7
89.02440	11.2
94.98087	2.5
95.01360	1.4
95.05028	2.5
95.83165	1.2
96.96024	5.8
97.02938	3.7
97.06590	12.4
98.95607	1.2
99.00909	1.1
101.02443	10.3
111.00860	6.6
113.02452	3.7
119.03483	3.6
123.08205	7.3
125.02433	3.5
125.09726	60.6
137.09641	1.6
143.03506	1.3
161.04498	3.2
171.10260	13.1
187.09760	31.7
205.53471	1.2
211.13374	3.5
221.06786	1.8
221.11977	1.8
225.00690	3.3
229.14462	4.8
235.08229	3.1
253.09300	11.0
255.23289	37.7
256.23648	2.6
269.13132	1.3
277.21716	25.1
278.22116	2.5
291.19675	4.2
293.21216	1.2
299.02374	1.3
309.20688	10.0
326.24069	1.1
327.21774	31.3
328.21906	2.2
378.95224	1.2
397.13385	2.2
545.29895	1.2
567.23297	1.7
733.38586	5.3
763.73944	1.4
823.46997	100.0
824.47284	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	823.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.8
61.98837	7.1
71.01005	1.7
71.01382	29.6
78.95911	2.1
80.02670	1.5
80.96522	3.3
82.95407	8.8
83.05025	3.4
85.98307	1.5
89.02441	2.0
95.04993	1.3
96.95992	4.9
97.06576	2.2
98.19859	3.4
101.02448	2.9
107.56905	1.4
109.06575	3.3
111.00897	9.5
113.02473	2.5
113.06099	3.0
125.09697	2.4
125.66535	1.2
161.04527	1.3
163.11269	5.3
165.12692	1.2
166.74547	1.2
169.97282	1.2
171.10226	11.0
171.95268	1.2
181.12323	2.2
185.11748	1.9
190.19429	1.2
191.05537	1.5
191.14415	1.5
199.09715	9.2
201.11313	4.8
206.39763	1.4
207.10257	15.7
207.83453	1.3
209.11819	100.0
210.12169	4.2
215.12915	1.6
225.11311	13.9
227.12874	23.5
235.08260	4.6
245.19099	3.1
253.09314	11.4
277.21677	6.6
279.15985	1.4
289.18149	8.4
307.19144	10.9
346.34186	1.3
417.22333	1.7
445.20688	1.5
461.20331	4.6
482.92752	1.4
502.29282	5.1
627.30023	3.4
635.30731	2.9
645.30603	2.4
653.30676	6.5
671.32965	4.4
672.33551	2.6
823.38776	16.8
824.39423	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	823.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	11.0
61.98829	25.0
66.61517	3.8
71.01369	19.4
71.55334	6.4
79.95749	4.0
80.96502	25.5
82.96104	5.2
87.00894	6.1
94.98088	7.2
96.96025	11.0
97.02964	4.1
101.02440	10.2
111.00887	100.0
112.01219	23.2
113.01360	5.9
113.02452	5.3
125.09667	7.9
144.58421	4.8
161.04463	5.1
163.11255	6.3
165.98851	4.3
171.10262	17.9
173.00891	12.1
177.97305	4.7
179.10780	6.9
187.09743	6.9
191.05650	4.9
197.11842	14.7
199.09755	16.1
201.11200	6.2
207.10251	20.3
209.11812	88.3
213.04741	5.2
223.09769	5.1
223.50850	4.6
225.00717	6.5
225.11304	14.8
225.71764	4.7
227.12880	19.6
235.08173	10.3
253.09393	21.6
289.18005	11.7
291.19574	20.0
307.19016	9.8
309.20709	57.4
543.27649	4.9
545.29462	9.0
552.45544	5.5
715.38867	5.5
823.41760	72.3
824.42450	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	821.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	4.6
63.11063	0.9
69.55077	7.1
74.31686	1.0
79.95733	2.9
80.96510	2.0
94.98042	2.1
96.96008	45.0
97.06597	2.0
111.00874	18.9
131.01404	1.1
160.63243	1.1
173.00841	2.6
185.02336	1.3
191.05544	1.0
407.33142	4.4
423.32730	2.0
451.31891	5.9
469.33191	100.0
470.33566	12.2
670.95032	1.2
803.37775	1.6
821.40912	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	14.5
60.64234	7.2
61.98837	51.0
64.10152	8.2
71.01378	91.6
71.10630	15.4
79.73347	7.7
79.95776	9.0
80.96514	17.9
82.95428	51.4
83.05023	10.4
93.03466	13.4
96.96037	40.3
101.02452	16.5
109.06598	23.9
109.81407	8.5
111.00876	38.6
113.02412	10.7
115.07650	22.2
117.98320	9.0
125.09746	10.6
163.11299	21.5
171.10294	19.9
191.05577	77.0
201.11261	12.6
205.08632	12.4
207.10269	100.0
209.11850	91.1
223.09723	21.7
225.11293	68.2
227.12827	20.0
235.08260	15.3
253.09323	35.0
461.20142	24.6
625.28680	26.1
643.29034	10.3
651.29602	34.2
669.30890	19.4
687.32056	20.6
823.38538	43.3
824.38330	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	821.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01373	2.3
67.01886	0.8
69.03451	0.8
71.01394	3.9
75.00873	1.5
77.26234	0.7
79.95749	1.6
85.02956	3.0
86.97689	0.6
87.00896	1.2
89.02467	1.6
89.03973	2.8
93.03470	2.3
96.96017	28.8
98.95618	1.3
99.00888	1.5
101.02444	1.2
103.82693	0.7
105.03459	4.4
111.00898	5.7
111.04494	0.7
113.02459	2.5
115.00370	0.9
129.01970	0.8
133.01471	1.2
133.02965	11.0
135.04486	1.3
137.02409	0.9
149.02440	1.3
161.02409	0.8
171.10284	1.4
173.04605	0.9
176.01199	1.2
177.01939	100.0
178.02235	4.1
187.11320	1.2
191.05626	6.8
192.05928	0.8
209.11876	2.4
215.07288	0.9
245.32336	0.7
249.11186	0.7
267.07181	2.4
339.07214	3.3
448.88043	0.8
449.14728	1.2
643.22626	1.2
821.24915	17.0
822.25476	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	821.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.7
59.01372	3.0
59.17583	0.7
60.58940	0.6
61.98835	4.8
62.38555	0.6
67.01897	3.6
67.75937	0.6
71.01379	9.5
73.02935	0.7
80.96509	1.0
82.95422	2.7
85.02953	1.6
87.00881	1.9
97.02936	1.4
99.00877	0.8
101.02472	1.9
109.06573	5.3
111.00882	100.0
112.01225	1.2
112.58427	0.8
113.02437	0.9
113.06097	1.8
125.09776	1.4
163.11284	2.8
171.10243	4.7
173.00905	17.7
173.02370	1.2
176.72791	0.7
179.10817	0.9
181.12331	0.9
196.09830	0.6
198.43936	0.7
199.09734	2.1
201.11333	0.8
205.08630	1.4
207.10258	13.9
209.11804	10.8
223.09740	3.0
225.00761	0.8
225.11307	8.7
227.12897	2.1
229.32532	0.8
235.08226	1.5
253.09274	3.0
264.38425	0.6
443.19153	1.0
459.18976	0.9
461.20245	3.2
465.00656	0.7
562.17700	0.7
597.29077	1.1
604.76337	0.9
607.27887	2.6
615.30121	1.2
625.28723	2.2
643.30096	2.4
647.38281	1.6
651.29608	3.0
669.31335	4.2
670.32916	1.0
671.32544	0.9
687.32147	1.9
821.38019	5.3
821.52228	0.8
822.39899	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
67.01888	4.1
70.92658	0.2
71.01385	0.2
75.00863	0.5
83.01382	0.2
85.02954	0.8
87.00876	2.3
87.01373	0.2
111.00880	100.0
112.01219	2.0
113.02415	0.2
148.23317	0.1
154.99886	0.3
173.00903	16.3
174.01250	0.4
179.34801	0.1
211.42453	0.1
240.88350	0.1
647.37994	0.7
715.08582	0.1
821.39795	1.6
822.39685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
59.01380	0.3
61.98830	100.0
62.98572	0.2
63.99231	0.2
67.01872	0.3
71.01382	0.4
71.55647	0.2
78.95911	0.5
78.98574	0.1
79.95743	0.3
80.96511	2.0
81.72944	0.1
83.04993	0.1
85.02975	0.1
87.00861	0.3
94.98106	0.4
96.96023	0.7
101.02495	0.2
111.00883	6.5
125.02478	0.1
148.89380	0.1
152.98569	0.2
161.02405	0.1
171.10283	0.5
173.00929	1.3
191.05537	0.3
197.11917	0.2
207.10237	0.2
209.11928	0.7
209.13699	0.2
211.13419	0.3
218.04970	0.1
225.00784	0.6
253.09335	0.2
297.73969	0.1
311.22409	0.3
329.23422	0.3
482.06293	0.1
819.53271	0.2
820.38458	0.4
820.51575	1.4
821.39392	0.7
821.53314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
58.00595	0.9
59.01378	17.4
61.98818	0.8
65.15923	0.2
67.01890	0.4
68.99796	0.3
69.03452	1.7
70.87744	0.7
71.01379	16.7
72.99314	1.5
73.02943	2.6
80.02667	1.0
81.03452	2.0
83.01388	2.1
83.05022	5.7
84.02164	0.8
85.02948	4.1
87.00877	3.8
89.02441	13.7
93.03461	1.1
95.01388	1.4
95.05019	0.9
96.96011	4.5
97.02943	2.3
98.95613	0.4
99.00874	1.2
101.02442	11.1
109.02956	0.4
109.06613	0.5
111.00883	3.3
111.04552	0.6
112.98561	0.3
113.02451	7.2
114.02720	0.4
114.93390	0.5
115.04030	0.4
119.03493	3.4
121.02939	0.3
125.02437	6.1
125.06054	0.5
131.03513	0.8
135.04515	0.6
135.08125	0.6
137.02437	0.4
139.04008	0.5
141.01924	0.6
143.03470	2.3
149.04561	0.4
161.02452	0.3
161.04550	3.5
163.11279	4.6
165.12827	2.6
167.03435	0.5
167.10786	0.5
167.14452	0.4
171.10266	0.8
173.00900	0.4
173.04507	0.5
179.05574	3.6
181.12387	0.6
182.61781	0.3
183.13875	7.5
191.05623	3.3
191.10748	1.1
192.05942	0.3
193.12263	1.7
199.06023	0.4
206.91679	0.3
207.10210	0.5
209.11816	100.0
210.12169	4.7
211.13379	94.2
212.13708	5.0
217.07155	0.6
221.06630	1.3
227.12871	16.4
228.13147	0.9
235.08199	5.0
249.15028	0.4
251.12791	0.5
253.09235	0.9
253.14296	0.3
263.07788	0.5
287.07751	1.5
305.08826	2.1
323.09769	1.3
363.95847	0.3
379.12415	7.3
380.12689	0.6
397.13480	42.3
398.13818	3.1
415.14529	10.2
416.15341	0.4
429.21021	0.4
467.76895	0.4
524.06268	0.3
589.25012	1.2
591.26544	2.9
592.27216	0.5
607.26306	1.8
609.27570	5.2
610.27771	0.5
617.12726	0.3
783.38257	1.2
784.38068	0.4
801.39551	1.1
819.40900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.98833	100.0
63.42950	0.1
63.99270	0.2
64.01189	0.1
69.41116	0.6
71.01392	0.3
71.62034	0.1
78.95914	0.1
79.95793	0.1
80.96530	0.5
89.84393	0.1
94.98101	0.1
96.96006	0.2
103.92813	0.1
109.02953	0.1
111.00909	0.2
132.32051	0.1
141.01747	0.4
155.75342	0.1
156.43942	0.1
163.11337	0.1
171.10292	0.2
191.05656	0.2
207.10225	0.2
209.11876	0.5
210.12152	0.1
211.13530	0.2
225.11336	0.2
265.61893	0.1
291.19870	0.1
293.21072	0.1
353.77414	0.1
413.55624	0.1
455.25241	0.1
618.31940	0.1
819.39301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
58.00591	0.7
59.01382	14.0
61.98826	0.3
64.59629	0.2
65.82865	0.2
68.99554	0.4
69.03461	1.1
70.44315	0.4
70.44710	0.4
71.01385	12.5
71.05011	0.2
72.99303	0.9
73.02953	2.0
75.00886	0.4
79.95718	0.3
80.02672	0.9
80.96510	0.7
81.03458	1.8
83.01396	1.8
83.05031	5.8
84.02164	1.0
84.05357	0.2
85.02950	3.8
86.00090	0.2
87.00875	3.4
89.02448	11.2
91.04041	0.2
93.03455	0.7
95.01402	1.0
95.01941	0.2
95.05026	0.7
96.96019	5.9
97.02969	1.8
97.06564	0.2
99.00879	0.8
101.02450	10.3
109.02964	0.4
109.06608	0.4
111.00883	2.0
111.04507	0.4
111.08208	0.4
112.98581	0.5
113.01715	0.4
113.02456	5.7
114.93391	0.5
115.04050	0.3
119.03503	3.5
120.76186	0.3
125.02462	4.8
125.06075	0.5
125.09681	0.2
126.02747	0.3
127.03991	0.3
131.03508	0.8
133.05054	0.4
135.04561	0.2
135.08150	0.8
135.31480	0.2
139.00421	0.2
139.03993	0.4
141.01933	0.5
143.03490	1.9
148.35933	0.2
149.04541	0.6
161.04582	2.6
163.11288	3.9
165.12851	2.5
166.13297	0.2
167.03540	0.3
167.14375	0.7
169.05145	0.3
171.10280	0.5
172.61490	0.2
173.04512	0.4
179.05627	3.2
181.12370	0.8
183.13904	5.2
191.05606	2.1
191.10782	0.9
193.12410	1.1
199.06091	0.3
199.13376	0.3
209.11829	100.0
210.10663	0.1
210.12161	5.6
211.13393	68.8
212.13737	3.9
217.07147	0.6
221.06729	1.3
226.11765	0.2
227.12892	13.0
228.13243	0.9
235.08206	4.2
249.15005	0.4
251.12794	0.7
253.09303	0.9
259.08380	0.3
261.91171	0.2
263.07654	0.3
281.13641	0.2
287.07870	1.2
305.08765	1.6
323.09827	1.3
351.75934	0.2
379.12473	5.7
380.12726	0.4
397.13510	34.2
398.13812	2.3
415.14551	8.1
416.14929	0.4
429.21130	0.3
497.20837	0.2
532.09381	0.3
589.25110	0.9
591.26270	1.6
607.25964	2.8
608.26630	0.3
609.27734	1.9
783.38159	0.8
801.39410	0.6
819.40344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.1
61.98830	100.0
62.98534	0.1
71.01392	0.2
73.20443	0.1
78.95934	0.1
78.98638	0.1
79.95745	0.1
80.96513	0.9
87.00909	0.1
94.98112	0.2
96.96045	0.1
97.02972	0.1
98.03274	0.1
116.23111	0.1
148.99136	0.1
164.98625	0.2
191.05621	0.1
207.10313	0.2
208.10735	0.1
209.11899	0.3
210.12386	0.1
225.00719	0.1
225.11342	0.1
227.12965	0.1
309.20795	0.1
311.22421	0.1
471.31137	0.7
556.86237	0.1
756.41608	0.1
816.49982	0.7
817.51740	0.2
829.22595	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	816.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
61.98830	100.0
62.98548	0.3
63.99264	0.3
65.90630	0.2
71.01389	0.5
71.56197	0.2
78.63829	0.2
78.95939	0.2
79.95735	0.3
80.96510	2.0
93.03425	0.2
94.98100	0.3
96.96040	0.4
101.02492	0.4
111.82571	0.2
117.34466	0.2
123.23748	0.2
130.85909	0.2
143.86894	0.2
164.98512	0.2
191.05629	0.9
193.12961	0.2
197.11888	0.4
207.10237	0.2
207.50682	0.2
209.11700	0.3
219.07571	0.2
223.72319	0.2
225.00751	0.4
300.02853	0.2
301.03571	0.3
369.05017	0.2
521.99176	0.2
541.64441	0.2
816.49854	1.6
817.37970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.1
59.94445	0.1
61.98832	100.0
62.15730	0.1
70.59818	0.3
71.01391	0.1
78.95934	0.1
79.95755	0.1
80.96523	0.3
85.02940	0.1
86.60813	0.1
91.80044	0.1
91.87278	0.1
96.96034	0.1
149.93167	0.1
171.10323	0.1
191.05623	0.2
197.11836	0.2
209.11891	0.3
210.12204	0.1
250.07637	0.1
253.09277	0.1
308.00116	0.1
311.22083	0.1
327.22015	0.1
378.12238	0.1
818.36896	0.2
818.50079	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
60.30191	0.1
61.98831	100.0
71.01398	0.1
71.54578	0.1
71.55045	0.1
74.68576	0.1
78.84844	0.1
79.95717	0.1
80.96537	0.4
85.03005	0.1
87.00900	0.1
89.00098	0.1
90.25354	0.1
94.98093	0.1
96.96004	0.2
108.86781	0.1
111.00883	1.1
134.97595	0.1
164.98596	0.1
170.87396	0.1
173.00931	0.2
191.05699	0.1
209.11848	0.4
210.12349	0.1
219.38354	0.1
444.00818	0.1
818.51471	0.4
819.39001	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.4
63.96234	2.5
64.82690	0.7
71.01375	10.2
73.02930	2.4
78.98590	9.2
79.95732	17.2
80.96513	98.9
81.03452	1.2
85.02942	3.0
87.00871	2.1
94.69886	0.8
94.98084	21.9
96.96008	1.4
97.02926	2.5
99.00871	0.9
101.02432	2.8
106.98083	3.2
122.97595	5.7
125.02435	2.8
126.97546	0.8
127.04036	1.0
134.97568	7.7
136.99155	1.4
148.99132	9.8
150.97011	1.0
152.98599	7.6
163.85526	0.7
164.97325	1.1
164.98625	16.1
198.44373	0.8
206.99651	3.0
225.00728	23.3
226.01089	1.0
255.23282	2.3
270.32397	0.7
277.21548	1.1
283.04840	0.9
494.39832	0.8
537.27490	1.8
559.25708	2.2
679.65283	0.8
815.49835	100.0
816.50104	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	816.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
61.98828	100.0
71.01380	0.2
72.99332	0.1
78.98627	0.1
79.95752	0.3
80.96507	1.2
85.02988	0.1
87.79783	0.1
89.02444	0.1
92.15113	0.1
94.98091	0.2
96.96021	0.1
97.12402	0.1
109.06664	0.1
109.88596	0.1
121.72115	0.1
141.01709	1.3
148.99205	0.1
164.98604	0.1
191.05637	0.1
197.11775	0.2
207.10304	0.2
209.11848	0.2
225.00812	0.2
244.37253	0.1
277.21780	0.2
303.26630	0.1
311.22287	0.1
317.59296	0.1
397.13559	0.3
437.13077	0.1
613.45062	0.1
692.38550	0.1
751.38776	0.1
756.42163	0.1
815.49634	0.2
816.49878	0.8
817.37134	0.2
817.51044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.0
61.98829	100.0
67.89063	0.5
71.01376	4.7
71.54971	0.5
71.55432	0.7
73.02942	1.2
74.19694	0.5
75.00858	0.7
78.95919	0.6
78.98608	1.7
79.95730	2.8
80.96514	15.8
81.03474	1.3
83.01389	1.1
83.05043	2.3
85.02965	0.8
87.00894	1.1
88.98782	0.6
89.02460	2.0
94.98076	3.4
96.96011	1.0
97.02964	2.3
97.06592	0.5
99.00882	0.8
99.08187	0.5
101.02456	3.7
109.06593	7.9
113.02472	1.2
113.09740	0.7
118.29915	0.6
121.84761	0.5
125.02455	0.7
129.09218	0.7
134.97560	0.9
135.08202	1.0
136.99147	0.6
139.00375	0.5
148.99159	1.5
152.98587	1.2
161.04630	1.1
161.09772	0.7
163.11264	5.9
164.98608	2.7
165.12839	0.7
171.10327	2.4
172.23073	0.4
181.12404	2.0
185.11847	0.6
189.09244	0.6
197.11797	2.4
199.13425	1.2
201.11334	0.6
207.10249	25.6
208.10623	1.5
209.11824	22.8
209.13774	1.1
210.12178	2.6
211.13463	4.6
225.00760	3.7
225.11328	8.6
226.11642	0.7
227.12833	2.8
235.08304	1.9
247.20741	0.6
253.09247	7.9
279.76694	0.5
291.19629	2.7
293.21237	6.1
307.19193	0.7
309.20679	3.8
311.22253	26.1
312.22803	2.0
327.96387	0.6
375.85095	0.5
415.07095	0.5
438.14551	0.6
443.19461	2.0
461.20691	1.6
462.21353	0.5
487.34488	2.4
501.32233	1.0
519.33887	0.8
547.31500	2.1
581.07007	0.6
611.30280	0.6
689.48730	0.6
703.80115	0.6
737.42047	1.0
755.42224	11.8
756.43134	2.2
815.35931	2.1
815.49579	11.6
816.49719	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	814.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
59.48809	0.2
61.98832	100.0
64.69730	0.1
71.01375	0.2
71.54774	0.2
79.95743	0.2
80.96506	1.0
85.02950	0.2
94.98103	0.3
96.96021	0.6
99.41563	0.1
102.92165	0.2
111.00880	0.2
121.55582	0.2
152.98697	0.2
191.05692	0.3
207.10313	0.3
208.10704	0.2
209.11768	0.2
225.00772	0.3
301.99503	0.2
307.19574	0.2
408.75177	0.2
585.36548	0.2
754.41571	0.2
797.37305	0.2
815.49713	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
59.01384	1.9
67.01920	0.4
71.01384	1.6
71.55696	0.4
80.96529	0.3
81.03455	2.2
83.01396	0.3
83.05029	6.3
84.05371	0.3
85.02958	1.7
87.00882	0.9
89.02457	0.4
91.05537	29.9
92.05876	0.9
93.03459	3.3
96.96026	3.1
97.94136	0.3
99.00878	0.5
99.04556	0.4
101.02460	0.8
107.01420	0.3
109.02946	0.8
111.04506	0.4
113.02451	0.6
123.04547	0.4
125.07255	0.6
127.04077	0.3
133.01450	0.5
133.02994	1.0
134.86505	0.4
134.89453	1.2
135.04530	59.0
136.04887	2.5
137.02449	0.6
137.27460	0.3
149.02440	0.3
151.00404	1.3
151.03885	0.5
152.01141	0.8
153.01955	0.5
161.02446	1.8
161.04590	0.9
163.03954	0.4
173.04553	1.4
177.01944	1.4
178.99930	0.4
179.03537	1.0
191.05618	13.6
192.05920	0.8
224.17758	0.7
225.16109	4.9
226.16432	0.4
240.04308	0.4
264.04318	0.6
292.03766	0.5
295.06180	0.3
300.02637	0.6
341.29285	0.4
353.08865	0.7
354.09241	0.5
367.27185	0.5
433.31702	0.7
449.14349	0.4
450.34213	0.4
451.32797	4.0
452.33191	0.5
474.66345	0.3
659.48840	0.9
660.49042	0.7
677.49719	100.0
678.49988	18.7
785.19843	0.6
813.54901	2.2
814.54681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01379	6.9
61.98832	43.4
71.01377	4.0
71.55548	1.0
75.00851	1.2
78.95872	1.0
80.02648	1.3
80.78075	1.1
81.03451	1.7
81.90069	0.9
83.05027	5.9
85.02961	2.3
87.00883	1.1
89.02458	1.3
93.03448	1.8
95.05024	0.9
96.96017	4.5
97.06604	2.6
101.02420	3.0
109.42249	0.9
113.02449	2.4
151.11293	1.7
161.04578	1.5
162.83893	1.8
163.11301	6.4
165.12901	4.7
179.10616	1.2
181.12286	1.2
185.11841	1.4
191.05603	1.3
191.10727	1.5
191.14389	1.1
196.69588	0.9
197.11816	1.8
207.10255	3.1
209.11842	100.0
210.12132	5.1
223.09621	1.2
225.11238	2.8
227.12866	16.0
235.08205	2.8
245.19093	3.3
253.09279	7.3
262.13281	1.0
263.20145	2.2
289.18124	7.6
289.44904	0.9
290.18387	1.4
307.19186	18.2
308.19391	1.7
380.86200	1.0
445.20706	3.3
493.26672	1.0
525.27026	1.7
565.00525	1.1
637.32422	1.7
753.40692	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	811.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14120	1.3
60.18236	1.3
62.88869	1.3
63.96247	1.5
69.45211	9.7
69.69231	1.2
71.01381	9.9
73.02956	1.2
77.75168	1.3
77.75608	1.4
78.98597	5.4
79.95744	11.6
80.96518	75.1
81.95260	1.3
82.96075	3.5
85.02943	2.0
87.00853	3.4
90.39199	1.4
94.21120	1.1
94.98089	17.0
99.00867	1.8
100.17471	1.3
101.02425	1.9
106.98067	3.2
122.97560	5.7
125.02467	3.1
125.71999	1.5
134.97551	6.4
148.99126	6.7
152.98607	6.3
156.83157	1.4
164.98616	12.9
173.51907	1.5
179.00204	1.7
204.06099	1.5
225.00755	22.4
227.82513	1.5
483.15244	2.8
527.17908	1.8
757.88470	1.7
767.42511	4.2
775.42303	1.4
779.38458	3.9
811.44977	100.0
812.45459	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	811.4115
Annotation	Segetalin E
Peak:m/z	Relative Intensity
57.03441	4.3
59.01382	12.0
60.99308	1.4
61.98823	2.2
67.01884	1.8
68.99816	1.6
71.01384	23.7
71.55869	1.8
72.99295	3.2
73.02924	1.1
75.00880	11.0
83.01373	2.6
85.02948	17.9
86.03326	1.0
87.00880	7.1
88.98815	6.1
89.02451	7.2
93.03433	3.8
95.01383	3.5
96.96004	7.5
99.00883	20.2
101.02451	2.4
103.70766	1.0
106.21294	1.0
110.27448	1.0
111.00175	1.2
111.00893	16.4
113.02455	14.9
115.00365	2.1
129.01981	1.3
131.03458	2.2
133.02988	1.0
135.04506	2.0
157.01457	1.8
161.02446	2.0
161.04597	1.7
171.10231	1.5
173.00928	2.7
173.04501	1.5
179.03545	1.9
191.05598	16.9
209.11867	3.1
318.39990	1.0
344.30817	1.0
425.35324	1.1
437.30490	1.7
453.30264	2.1
455.31464	4.1
477.23233	1.8
503.33496	1.4
661.35828	1.5
749.40692	1.5
767.35602	1.9
810.42694	1.4
811.41449	100.0
812.41705	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	811.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.4
59.01378	22.2
61.98828	2.7
66.94036	1.4
69.03437	1.5
71.01387	10.1
71.53503	1.3
73.02940	1.6
78.85837	1.3
80.02686	1.9
80.75967	1.3
81.03454	5.2
83.01387	4.7
83.05022	5.7
85.02945	3.7
85.32877	1.2
87.00888	2.7
89.02419	6.6
95.05009	2.5
96.96022	2.4
97.02948	9.4
97.06584	5.6
99.00864	2.9
101.02427	8.2
106.04244	1.5
107.05040	2.4
109.06589	39.2
110.06918	1.5
111.04489	1.3
113.02434	4.2
119.03519	2.0
121.06583	4.9
123.04510	4.1
123.08118	2.1
125.09733	8.6
128.67065	1.2
135.08177	5.7
136.05296	3.5
137.09689	2.9
141.12888	1.4
142.02696	2.6
147.08205	1.2
149.09831	1.3
151.88730	1.2
161.04591	2.7
161.09732	3.2
163.11292	26.4
165.09166	1.6
165.12791	2.0
166.14461	1.3
179.10818	1.6
181.12383	4.9
185.11838	8.0
187.09778	1.7
189.09143	3.2
191.14420	7.6
195.66141	1.3
197.11768	1.1
203.14398	1.2
207.10254	100.0
208.10593	5.2
209.11783	25.8
211.13399	2.2
217.16101	1.2
223.13353	1.6
225.11322	43.9
226.11626	3.3
235.08220	6.2
237.11404	1.4
245.19092	9.6
253.09261	15.8
263.20120	2.5
271.17068	2.8
287.16684	1.7
289.18088	43.4
290.18326	2.8
299.15002	2.2
305.17560	1.6
307.19135	45.0
308.19495	3.0
311.22339	1.6
345.20554	2.0
399.21716	4.5
417.22708	3.1
443.19257	4.9
453.30289	2.2
461.20389	13.9
479.28000	3.0
497.29190	8.1
498.29059	1.7
609.30017	1.4
635.30847	9.3
636.31451	1.6
653.31354	4.5
715.36877	4.7
733.38171	12.9
734.38538	3.5
751.39105	42.8
752.38873	8.4
779.96741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
58.00585	0.7
59.01384	16.7
60.01711	0.2
64.82384	0.2
65.03960	0.4
65.83127	0.2
67.01877	0.3
68.99815	0.4
69.03461	0.6
71.01385	11.4
71.55260	0.3
72.52686	0.2
72.99316	1.4
73.02934	0.5
81.03453	2.7
83.01380	0.9
83.05029	2.6
85.01305	0.2
85.02956	4.6
87.00872	1.2
89.02447	11.6
93.03438	0.9
95.01385	0.9
95.04999	0.2
96.96026	1.2
97.02962	1.3
99.04522	0.6
101.02447	7.0
107.05032	1.4
109.02960	3.9
111.04527	4.7
113.02450	4.6
114.02823	0.2
119.03503	5.2
119.04972	1.2
121.02903	0.2
121.06594	4.4
123.04533	3.1
123.69857	0.2
125.06079	0.3
127.04020	3.7
130.45148	0.2
131.03500	0.5
131.05023	0.6
133.65617	0.2
134.03709	0.6
137.06081	1.1
139.07718	0.3
141.05579	1.3
143.03543	0.4
149.06079	6.6
150.06389	0.3
152.07733	0.2
152.27675	0.2
153.12732	0.2
161.04587	0.5
163.72226	0.2
164.22842	0.2
167.03479	1.6
167.07140	10.0
179.05638	0.7
183.06528	0.3
185.08200	7.9
186.08536	0.5
191.05537	0.4
193.05037	1.3
208.64000	0.2
211.06142	1.9
225.32317	0.2
229.07185	6.7
334.83694	0.2
389.10846	0.2
390.11783	0.2
391.12463	100.0
392.12799	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	809.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
63.96243	2.9
69.03471	1.1
69.03816	0.7
70.02676	2.1
70.97488	0.6
71.01385	10.6
73.02950	1.6
78.95910	2.0
78.98590	6.7
79.95742	27.8
80.96523	100.0
81.03449	1.4
82.96120	1.7
85.02962	2.9
86.59052	0.6
87.00884	4.0
94.98093	19.7
96.96005	1.6
97.02972	1.8
101.02432	3.3
106.98104	4.3
109.02842	0.6
122.97572	5.2
125.02469	4.4
127.04030	1.4
134.97601	6.4
136.99118	2.2
141.04839	0.9
144.78651	0.7
148.99153	8.0
152.98628	8.1
152.99632	1.8
160.11975	0.7
164.62756	0.6
164.98630	16.3
167.00108	0.7
171.00638	0.8
206.99696	4.5
209.11938	1.2
225.00749	29.2
226.00917	1.0
241.00652	0.7
255.23325	1.8
283.26480	2.7
355.82220	0.9
525.16620	1.1
537.27759	0.9
565.30542	2.2
623.25677	0.8
760.95612	0.8
791.42694	8.2
792.42938	2.0
809.43604	96.4
810.44049	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	809.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.0
59.01378	6.3
67.01883	1.2
68.99818	1.2
69.03445	0.7
71.01003	0.6
71.01381	10.0
71.05023	0.3
71.54860	0.4
71.55237	0.5
72.99310	4.3
73.02962	1.6
75.00872	40.4
81.25394	0.3
81.92758	0.3
83.01379	1.4
84.02180	0.7
84.95103	1.1
85.02948	29.6
86.03284	0.6
87.00877	3.0
89.02450	2.3
93.03447	2.0
95.01379	3.8
96.96005	4.0
97.02964	0.5
98.95586	0.3
99.00878	6.8
99.92588	1.4
101.02438	2.0
106.06743	0.3
109.02967	0.3
111.00871	2.9
112.01672	0.7
113.02450	15.2
114.02723	0.3
115.00388	1.0
116.01128	0.9
116.92859	15.3
117.01945	3.0
117.92886	0.9
119.03506	0.3
119.05006	1.2
129.01932	0.9
133.02951	0.7
135.04485	1.0
137.02452	0.9
145.02866	0.3
147.39520	0.4
150.03235	0.3
151.04079	0.3
157.01416	1.6
160.01628	0.3
161.02422	0.7
161.04556	0.6
163.04001	0.5
169.83189	0.3
173.00909	0.7
173.04553	0.6
175.02422	0.8
177.01894	0.5
179.03441	0.5
191.05603	4.7
192.05969	0.4
195.06645	0.4
203.95592	0.3
209.11816	1.9
210.12228	0.5
254.43381	0.3
329.81137	0.3
398.09381	0.4
407.33273	0.4
425.29935	0.5
427.32086	0.5
443.35324	1.7
471.34735	0.7
557.38129	0.9
558.39404	0.4
585.37787	1.0
629.36664	0.6
647.37744	4.6
648.38373	0.8
765.44427	1.1
809.43243	100.0
810.43622	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	809.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.2
58.00586	0.6
59.01382	10.9
59.87704	0.2
61.96076	0.2
61.98827	0.3
67.01887	0.4
68.99815	1.3
69.03445	0.7
70.65787	0.4
71.01388	15.6
71.67606	0.2
72.99319	1.9
73.02950	2.4
75.00877	8.9
81.03421	0.2
83.01399	2.0
83.05026	0.2
84.02132	0.2
85.02958	17.1
86.00098	0.6
87.00883	3.7
87.04536	0.5
89.02451	1.9
93.03455	0.3
95.01391	2.2
96.95987	0.6
97.02975	0.2
99.00887	21.1
99.04505	0.2
100.01174	0.2
101.02437	1.1
103.04033	0.9
109.02921	0.2
111.00152	0.3
111.00878	3.5
112.01695	1.2
113.02455	11.0
115.00356	0.8
116.92844	0.5
117.01892	0.3
119.03493	0.2
129.01915	0.4
131.03493	0.6
139.00336	0.3
157.01411	2.1
159.02905	0.2
173.00900	0.7
191.05603	0.9
201.96574	0.2
209.11794	0.2
233.06549	0.4
263.07687	0.3
377.28317	0.4
391.30139	0.3
393.31726	1.0
405.31723	0.8
409.31177	0.2
411.32678	0.3
425.30341	0.4
437.30615	0.7
439.32104	0.4
441.33911	0.3
453.30075	0.5
455.31564	1.2
457.33215	0.3
469.33414	0.2
485.32819	0.8
487.34604	2.0
488.34665	0.4
645.36603	0.8
675.40894	0.2
747.43591	1.3
748.43164	0.3
765.43994	0.6
809.43317	100.0
810.43622	17.4
810.59442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
58.00594	0.7
58.94272	0.3
59.01378	17.0
68.00697	0.3
68.99825	1.8
71.01380	19.1
72.99306	1.1
73.02958	2.3
75.00868	7.1
83.01379	2.5
84.27232	0.4
85.02949	9.8
86.00082	0.4
86.03278	0.4
87.00869	1.6
89.02447	6.0
95.01385	4.3
99.00880	15.1
101.01794	0.5
101.02440	8.0
111.00913	0.7
112.01628	0.6
113.02448	7.5
119.03535	2.0
129.01939	0.4
148.96588	0.3
157.01396	1.4
157.68202	0.3
171.78909	0.4
181.37656	0.4
229.04314	0.4
305.72983	0.3
407.33429	0.7
423.32791	0.5
453.33963	0.5
469.33334	1.6
470.33881	0.4
471.34900	1.3
539.37457	2.6
540.37939	0.5
567.36407	0.6
585.38177	1.0
629.36871	1.1
650.69238	0.4
747.42938	1.3
809.43243	100.0
810.43573	19.9
839.58521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.0
57.50590	1.7
57.89525	1.6
58.00591	1.6
59.01381	8.6
59.55633	1.4
61.98838	3.3
63.53394	1.5
69.80251	4.8
69.80656	3.5
71.01375	10.1
73.02953	1.8
78.71553	1.6
81.03469	1.8
83.01414	2.0
83.05018	2.1
85.02973	2.1
87.00916	2.8
89.02452	3.6
92.12250	1.7
96.96013	9.1
99.00907	1.5
101.02446	5.7
106.81709	1.6
109.06612	5.5
111.00886	23.8
112.01221	8.5
113.01301	3.7
113.02435	3.5
117.06190	1.5
125.09767	3.2
132.86295	1.5
149.51752	1.7
151.11269	1.8
152.36630	1.6
160.84285	2.4
161.04536	3.2
163.11295	7.2
165.12852	5.1
167.10739	2.3
171.10295	10.8
181.12346	2.7
185.11870	3.2
191.05595	3.2
191.10718	1.6
197.11821	2.9
199.09819	2.3
201.11414	3.6
207.10306	14.4
208.10706	2.2
209.11835	100.0
210.12151	6.4
211.13370	2.5
225.11348	17.6
227.12852	22.4
235.08328	7.5
253.09335	23.9
265.21680	2.6
291.19672	27.7
292.19901	2.5
293.21249	8.5
295.22433	2.5
307.19003	2.4
309.20715	43.0
310.21033	5.0
311.22330	42.1
312.22803	3.3
443.19287	2.6
445.20599	2.6
447.21683	1.6
461.20343	2.8
466.02594	1.5
483.19925	1.7
588.32031	2.2
667.30157	1.8
755.42236	7.0
773.43433	3.0
791.39935	1.9
809.40942	11.7
810.40283	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	807.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
59.01369	0.8
61.98839	0.5
64.37183	0.2
67.01888	3.1
71.01383	0.9
71.55883	0.2
72.99329	0.3
73.02938	0.2
83.01405	0.5
85.02944	0.8
87.00878	10.1
88.01213	0.2
89.02402	0.3
96.96018	0.7
98.95617	0.3
99.92579	0.3
101.02454	0.3
111.00880	100.0
112.01217	2.2
116.20908	0.2
116.92858	3.4
155.00000	0.3
158.75378	0.2
167.64262	0.2
171.10292	0.3
173.00893	9.4
174.01225	0.4
191.05627	0.9
207.10301	0.3
209.11804	0.9
211.13350	0.3
225.11098	0.2
227.12895	0.2
238.61926	0.2
309.20825	0.4
535.76526	0.2
673.64441	0.3
807.41614	16.7
808.42151	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
61.98829	0.3
67.01892	3.7
70.30048	0.3
75.00838	0.1
83.01413	0.3
85.02954	0.4
87.00886	4.5
96.96051	0.1
111.00889	100.0
112.01227	2.1
154.99873	0.3
157.01453	0.1
162.09538	0.1
173.00923	19.2
174.01263	0.3
191.91391	0.1
207.10294	0.2
225.11485	0.1
395.70972	0.1
544.91235	0.1
630.06818	0.1
649.38336	0.3
715.01819	0.1
807.41711	3.8
808.42340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05785	0.7
57.03442	2.0
57.82765	0.7
59.01381	2.1
61.98821	2.0
67.01885	3.7
69.37588	5.1
71.01397	1.6
83.05048	0.8
85.02943	1.7
87.00888	5.0
89.02442	1.0
96.96029	5.6
97.02989	0.8
98.95618	1.3
101.02431	1.0
103.71558	0.7
109.06596	2.2
111.00882	100.0
112.01222	1.5
113.02472	0.8
116.60027	0.7
116.92874	2.9
119.03442	0.9
129.79468	0.7
154.77167	0.7
163.11215	2.1
171.10307	1.8
173.00905	17.0
183.89371	0.7
191.05670	1.2
197.11856	3.1
201.11377	0.9
207.10245	4.5
209.11813	29.4
210.12192	1.5
211.13416	2.9
225.11334	3.0
225.42474	0.7
227.12843	7.9
235.08252	3.3
237.14911	0.8
253.09291	7.5
268.02576	0.8
325.20212	13.7
326.20633	1.0
327.21729	8.1
340.55170	0.8
376.74146	0.9
445.20938	1.7
461.20334	1.1
517.31610	1.1
561.29413	1.6
563.30872	1.2
771.42041	5.7
772.42340	1.1
807.39349	21.2
808.39301	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	807.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91647	0.3
57.03445	0.4
59.01385	2.8
65.03959	0.6
67.01894	28.0
67.70297	0.3
68.02231	0.6
68.99821	48.6
69.03471	0.8
69.34449	1.9
69.34867	0.4
70.00151	0.9
71.01380	3.4
72.99308	2.2
73.02924	0.3
75.00872	2.2
76.07542	0.3
81.03474	2.2
83.01401	0.4
85.02956	2.8
89.02464	1.6
93.03465	2.1
95.01389	1.5
96.96010	0.9
97.02953	1.0
98.19888	0.5
99.00906	0.7
99.04535	0.5
101.02450	100.0
102.02159	0.2
102.02782	1.5
105.03465	0.4
107.05036	2.2
108.02194	0.4
109.02959	69.5
110.03280	1.6
111.04521	0.6
112.01691	1.4
113.02462	1.0
119.03543	0.9
119.05035	2.7
121.02966	6.7
123.04522	1.6
125.02461	2.6
127.04021	58.0
128.04359	1.3
129.01958	0.4
133.02966	0.8
133.06671	0.3
135.04535	2.2
137.02377	1.3
137.06042	0.4
139.04021	54.3
140.04320	1.5
145.02985	0.5
147.04543	0.9
149.02461	0.7
151.00359	0.4
151.04022	2.2
153.05605	0.5
155.03500	2.0
155.71292	0.2
161.02472	0.9
163.04033	3.2
165.01967	1.1
165.05556	1.6
167.03502	0.8
169.05107	0.6
177.05504	0.3
179.03484	1.8
181.05067	1.3
183.06671	0.4
191.03543	0.9
191.05617	1.3
193.05067	0.8
195.06642	0.7
197.04636	0.6
205.05133	0.6
205.90416	0.3
209.04507	2.0
211.06129	9.3
212.06442	0.5
223.06142	6.3
239.05516	0.6
241.07190	63.7
242.07542	3.2
271.02478	1.0
299.01889	1.3
300.02591	0.6
301.03589	0.5
325.09155	0.3
379.53436	0.2
403.11975	1.9
403.16757	0.3
409.80389	0.3
743.73730	0.3
771.20111	1.2
789.86395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01721	0.9
61.98836	2.6
70.70171	0.6
71.01415	0.5
71.38293	0.3
78.95930	0.3
79.95734	0.2
80.96534	1.0
94.98109	0.4
96.96055	0.3
111.00881	4.5
173.00931	0.7
183.34703	0.3
191.05753	0.4
302.13470	0.3
395.19650	0.3
485.91888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.3
59.01383	1.4
61.98833	0.2
66.99928	0.2
67.01896	0.6
68.99839	0.4
69.03458	19.5
70.03806	0.3
70.91247	0.4
71.01385	7.2
72.93849	0.2
72.99313	1.4
73.02940	0.3
75.00875	18.6
76.01239	0.2
83.01394	0.8
85.02952	16.6
86.03294	0.3
87.00877	1.7
87.04534	0.5
87.82850	0.2
89.02451	0.5
90.74084	0.2
95.01395	2.1
96.96013	0.2
97.02972	0.5
99.00868	1.5
101.02480	0.2
111.00920	1.0
111.01573	0.2
112.01670	0.7
113.02452	15.8
115.00388	0.9
116.01147	1.2
116.92877	0.7
117.01936	1.4
122.61120	0.2
129.01929	0.8
130.99872	0.2
131.03542	0.2
139.00375	0.2
157.01425	32.4
158.01799	0.8
175.02473	1.7
203.42714	0.2
357.54568	0.2
407.33289	0.7
423.32587	0.2
441.33600	0.2
469.33014	0.6
471.34863	1.1
525.35876	0.7
571.36224	0.4
585.38245	0.3
629.37244	0.3
647.37976	100.0
648.38324	20.2
805.40045	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.5
59.01383	0.1
64.61248	0.1
67.01893	4.1
69.46965	0.5
69.47376	0.3
71.01398	0.1
71.34295	0.1
75.00883	0.5
83.01407	0.1
85.02954	1.1
87.00890	1.3
111.00888	100.0
112.01221	2.0
113.02451	0.1
136.05177	0.1
141.22639	0.1
152.99338	0.1
154.97687	0.1
154.99872	0.3
173.00917	17.6
174.01300	0.5
191.02046	0.6
207.10301	0.1
209.11765	0.2
228.26515	0.1
349.04010	0.1
537.02551	0.1
631.38586	0.8
805.40186	0.7
806.40509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
61.98827	0.1
68.99578	0.3
71.01360	0.1
78.95906	0.9
79.95744	3.7
82.95432	0.2
85.02952	0.1
93.03455	0.2
96.96017	100.0
97.95930	0.3
97.96464	0.1
98.20646	0.1
101.02458	0.1
109.02950	0.1
112.98608	0.2
134.03732	0.1
135.04517	0.1
173.04546	0.2
173.93178	0.1
191.05579	0.5
192.05928	0.1
209.11880	0.3
225.11345	0.1
226.24744	0.1
227.12984	0.1
228.98466	0.1
469.73639	0.1
664.48389	0.1
671.39343	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.3
57.35793	0.3
58.00584	0.6
59.01384	9.1
63.59807	0.3
65.03976	0.3
68.99820	41.8
69.49241	1.4
69.49643	0.5
70.00150	0.5
71.01383	7.5
72.99297	0.5
80.44926	0.3
81.03443	0.3
82.79857	0.3
83.01392	0.4
85.02935	1.6
87.00906	0.4
89.02451	5.4
89.02998	0.3
91.05550	0.5
93.03465	14.3
94.03815	0.4
95.01397	0.7
96.45558	0.3
96.96006	0.5
99.00894	0.7
101.02449	94.4
102.02769	2.0
105.03461	0.4
105.07101	0.5
107.05030	5.9
109.02963	0.4
113.02446	2.1
117.03481	2.8
118.03820	0.4
119.03538	1.8
119.05032	1.8
121.02951	2.1
121.06591	1.3
123.04545	0.4
133.02965	3.8
135.04536	9.3
137.02451	6.6
143.03462	0.6
145.02969	2.2
147.04703	0.3
149.06076	0.9
151.04044	2.1
153.05528	0.7
159.01849	0.3
161.02466	1.2
161.04584	0.3
162.03232	1.6
163.04016	3.5
173.04478	0.4
177.05574	3.8
179.05611	0.4
180.60078	0.3
189.02071	0.4
191.05637	2.1
195.06627	42.4
196.06946	2.2
197.04552	1.1
207.02974	1.6
221.04565	3.8
239.05623	8.5
240.05986	0.4
325.09320	1.3
357.11893	1.2
383.09921	0.3
401.10876	100.0
402.11230	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	802.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89838	0.3
61.98830	100.0
67.01900	0.3
70.55031	0.2
71.01408	0.7
75.00874	0.3
91.04265	0.2
111.00882	11.6
129.12218	0.3
129.83948	0.3
156.94368	0.3
173.00925	2.3
191.05653	0.4
209.11954	0.4
295.94272	0.3
434.06766	0.3
802.37854	0.3
803.39923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12337	0.1
59.01369	0.4
61.21919	0.1
61.97351	0.1
61.98831	1.0
68.99580	0.3
71.01380	0.6
71.55050	0.1
78.95900	0.9
79.95737	3.5
80.96530	0.1
83.05034	0.1
85.02946	0.3
87.00859	0.2
89.02452	0.2
93.03448	0.3
94.98102	0.2
96.96011	100.0
97.95957	0.3
101.02440	0.2
106.12446	0.1
111.00882	0.3
112.98587	0.3
113.02512	0.2
127.04040	0.1
131.77013	0.1
135.04495	0.2
161.02455	0.1
163.11247	0.2
171.10297	0.2
173.04558	0.1
178.36166	0.1
187.07605	0.1
191.03932	0.2
191.05594	1.2
207.10313	0.4
209.11841	1.1
211.13380	1.0
225.11276	0.2
273.61728	0.1
276.93155	0.1
379.12616	0.1
397.13544	0.3
398.14108	0.1
449.14316	0.1
517.26379	0.3
517.76093	0.5
518.26654	0.3
518.77045	0.1
623.25946	0.1
644.13849	0.1
801.38904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98527	0.2
70.12483	0.3
70.12846	0.5
78.21663	0.1
80.96518	0.1
85.02984	0.2
105.48523	0.1
191.05765	0.3
197.11880	0.2
209.11855	1.8
210.12231	0.6
211.13449	0.2
227.12959	0.3
293.21167	1.3
294.21613	0.8
295.22525	0.2
368.25082	0.1
599.28931	0.4
800.47473	0.3
805.96674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.9
67.01878	1.2
69.85210	0.5
71.01371	2.4
71.56319	0.7
73.02963	0.6
85.02953	7.1
87.00896	2.4
93.03462	8.1
96.96012	3.3
99.00883	0.5
101.02469	0.7
104.78716	0.5
109.02960	2.0
111.04504	1.8
113.02433	0.7
121.02961	0.6
121.06574	0.5
123.00864	0.8
123.04514	0.7
125.02438	0.7
127.03974	1.4
135.04568	1.4
137.02458	5.3
147.04507	1.9
149.02393	0.6
149.05978	0.7
151.00386	7.6
151.04083	0.8
152.01118	0.6
152.04784	1.8
153.01915	0.5
154.02748	0.5
155.03459	0.8
159.04556	1.3
161.02441	1.2
161.04559	0.9
163.04109	1.1
166.02715	36.2
167.03351	2.1
172.05217	0.6
173.02452	2.4
173.04576	4.6
174.03174	1.6
175.04015	2.6
177.01913	1.7
179.03484	0.8
181.05072	62.7
182.05360	2.7
184.03769	0.7
185.02339	0.7
187.03958	2.2
187.07527	0.7
190.06343	0.7
191.05614	46.2
192.04358	0.6
192.05989	1.6
201.01923	3.7
201.05414	0.7
203.03477	1.6
203.07118	0.6
205.05077	0.7
205.08652	1.4
207.06563	0.9
211.04076	0.6
215.07027	1.7
219.03004	3.7
229.01430	1.1
240.04315	2.1
255.06558	1.3
273.07721	1.0
274.06351	0.6
289.05573	0.9
305.11365	0.8
345.11188	1.0
347.09167	0.8
347.13074	0.5
349.10358	0.7
359.11118	1.0
371.09357	0.5
371.14771	0.5
373.10757	0.8
387.06213	0.8
387.10858	7.1
389.10272	1.4
391.11923	1.6
391.45432	0.5
392.30783	0.5
393.08408	3.4
402.13190	8.3
403.13391	0.6
417.10019	5.5
417.15509	100.0
418.10242	0.5
418.15848	11.2
421.08566	0.5
435.10736	3.3
463.10678	2.5
579.20544	2.7
581.16193	0.6
591.15021	3.7
609.16125	19.5
610.16431	3.5
801.21997	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	800.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98831	100.0
67.37222	0.1
71.01381	0.3
79.95735	0.3
80.96545	0.2
85.02969	0.3
87.00899	0.2
93.03472	0.5
93.45800	0.1
94.98107	0.1
96.96014	3.6
96.96948	0.2
101.02464	0.1
111.00922	0.2
135.04527	0.2
173.04572	0.3
187.07848	0.1
191.05643	1.8
193.35373	0.1
194.21564	0.1
209.11891	0.3
269.93332	0.1
468.25742	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	797.252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.3
58.00584	1.4
58.03321	1.1
59.01385	12.5
61.98819	2.4
67.01881	2.2
68.60713	1.2
68.99811	2.2
69.03448	1.9
69.36157	7.2
69.36561	2.8
71.01383	22.4
72.75256	1.2
72.99307	3.1
73.02947	3.4
75.00878	11.4
80.96510	1.4
81.03462	1.8
83.01385	2.9
85.02959	25.0
87.00887	10.1
88.98800	4.2
89.02441	4.1
91.04054	1.3
93.03465	11.2
95.01378	7.2
96.03519	1.1
96.96019	10.5
99.00872	8.1
99.04514	1.6
101.02460	4.7
103.00388	1.8
103.24821	1.1
108.02180	81.3
109.02967	43.6
111.00883	11.8
111.04509	1.6
113.02459	21.0
117.01884	1.2
119.05004	1.2
121.02966	2.4
123.00864	2.4
123.04533	3.1
125.02440	1.7
127.04011	1.4
133.02954	2.1
134.03700	1.2
135.04526	4.7
137.02515	1.2
145.02994	1.5
146.53030	1.1
151.04015	2.3
152.01163	87.5
153.01955	35.8
154.02251	2.1
157.01363	1.4
161.02364	2.0
161.04568	2.8
161.13342	4.5
163.04030	2.5
171.10278	2.1
173.04527	5.3
175.02521	1.9
175.03987	2.4
177.02011	1.9
185.09663	1.3
187.11354	6.2
191.05612	25.6
192.05986	2.6
201.11311	3.2
205.12346	4.4
209.11850	4.0
213.09245	2.0
227.12929	1.4
249.06136	5.2
263.03433	3.3
267.07214	13.0
306.01678	2.7
309.04047	5.9
315.07239	24.2
316.07864	1.2
334.01147	12.6
335.01926	7.3
360.46735	1.2
372.27121	1.3
431.07300	2.0
449.14407	2.0
483.09195	2.9
485.18353	1.4
529.17212	6.1
616.99017	1.3
621.21942	3.9
700.12787	13.4
701.13257	2.1
753.25934	9.6
754.26147	2.1
797.25189	100.0
798.25568	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	797.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
59.01384	7.9
61.98825	1.8
62.67358	0.7
65.03963	1.5
67.01903	1.5
68.26962	0.9
68.99819	4.8
71.01385	12.4
72.99285	1.4
73.02942	3.6
75.00858	1.1
75.71042	0.8
79.95740	6.8
80.96508	1.2
83.01390	2.2
85.02946	8.8
87.00863	2.5
89.02452	2.5
89.31217	0.7
89.88818	0.7
91.05546	1.3
93.03461	56.9
94.03808	1.8
95.01396	1.3
95.04984	0.9
95.95242	2.3
96.96009	100.0
97.08045	0.8
97.46030	0.8
99.00873	1.1
99.04501	1.1
101.02440	9.0
103.09798	0.8
107.05031	9.2
109.02940	1.0
111.00888	3.3
111.04485	1.1
113.02436	5.8
117.03493	1.4
119.05025	22.2
120.05352	1.4
121.02979	1.4
133.02983	1.3
134.03754	1.3
135.04527	11.0
136.04881	1.0
137.01454	1.4
137.02443	18.5
137.06075	11.9
143.03445	1.2
145.02948	1.8
147.74413	0.7
150.97075	1.2
151.00281	1.3
152.98645	1.6
161.02429	4.7
161.04550	2.5
161.05937	0.8
163.04008	20.9
164.04393	1.1
173.04506	2.3
179.03439	1.0
180.98117	1.0
181.05022	5.6
185.11790	1.3
187.07628	0.8
189.01935	2.4
191.05603	13.2
207.02992	16.8
224.66621	0.7
241.00269	5.0
267.07239	1.6
271.06000	3.6
287.09564	1.4
327.07550	2.6
329.16125	9.0
347.17123	11.5
348.17368	1.4
361.18753	1.3
389.18082	2.2
427.12753	5.7
431.07834	0.9
469.13684	1.6
497.12735	1.7
571.17053	10.1
572.16449	1.3
589.17853	2.2
673.26715	2.3
717.25787	5.9
718.25232	1.3
753.22607	1.3
797.21381	90.2
798.21802	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	795.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01369	0.8
60.99308	16.9
61.98821	0.8
69.61754	1.6
71.01393	1.7
79.95728	0.4
84.26513	0.2
85.02950	0.5
87.00889	1.0
88.00409	0.9
88.98808	100.0
89.02441	4.1
89.99123	1.2
93.03454	0.6
96.96020	4.9
98.95604	0.5
99.00896	0.3
101.02449	0.4
105.01991	0.3
109.01337	0.2
111.00861	1.4
113.02460	0.5
119.04999	0.3
125.70692	0.3
135.04521	0.5
137.02409	0.3
138.02773	0.3
161.02301	0.3
171.10260	1.2
173.04468	0.4
175.03995	0.2
191.05641	1.8
201.11435	0.3
207.10249	0.6
209.11829	2.6
218.23897	0.2
227.12872	0.6
234.51062	0.3
271.02472	0.3
283.66345	0.3
312.88800	0.2
397.13675	0.3
587.31726	0.3
628.61615	0.3
708.92767	0.3
795.45392	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.5
58.00587	1.1
59.01377	25.9
61.98814	1.9
64.23700	0.7
67.01883	1.4
68.99807	1.8
69.03446	1.1
69.70605	2.3
69.71011	1.1
71.01379	33.5
72.99303	6.6
73.02934	2.6
75.00874	16.0
79.05506	0.7
79.95731	2.1
81.03416	0.8
83.01373	2.8
85.02949	32.5
87.00871	9.3
89.02444	15.1
89.45160	0.7
91.04034	1.1
93.03462	6.0
95.01395	7.1
95.05076	0.7
96.96007	25.3
98.20620	1.3
99.00877	10.4
99.04517	1.8
101.02446	7.1
103.00362	2.4
107.05019	1.1
109.02925	1.4
111.00163	1.1
111.00877	17.0
111.04485	0.7
112.01684	1.3
113.02446	35.4
114.02729	0.9
115.00372	2.4
117.01918	2.5
119.03517	3.4
119.04996	1.3
121.02985	0.7
123.04478	0.8
123.82093	0.6
129.01929	1.9
131.03481	1.2
133.02910	0.8
135.04509	2.2
137.02367	1.4
138.03021	0.7
139.03905	0.7
143.03455	0.8
145.02866	0.6
145.10150	0.6
146.61679	0.7
149.04582	0.9
149.06053	0.7
151.06128	4.6
157.01430	0.8
159.08104	0.7
159.11804	0.7
161.02382	1.0
161.04521	1.0
161.13351	10.8
163.03984	1.0
173.00873	2.7
173.04562	1.5
175.02493	1.6
175.06026	0.8
179.05615	1.3
187.11276	9.1
191.05592	11.0
192.05891	1.0
203.12851	1.6
205.07152	2.8
205.12321	8.8
205.24731	0.7
207.03078	1.1
207.05022	1.2
213.09201	1.0
245.13817	0.9
249.06149	9.9
267.07181	34.1
268.07462	1.8
313.11224	1.0
327.08859	1.1
393.18878	0.8
481.17017	2.3
780.73730	0.8
795.29242	100.0
796.15869	1.1
796.29523	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4415
Annotation	A 77003
Peak:m/z	Relative Intensity
59.01401	0.4
63.96232	1.6
71.01384	7.5
72.99311	0.5
73.02946	2.0
76.24915	0.5
78.95902	1.4
78.98588	6.8
79.95734	16.0
80.54961	0.5
80.96516	81.9
81.03465	1.4
81.96474	0.4
82.96100	1.0
85.02953	3.4
87.00874	2.6
88.94907	0.4
94.98088	17.4
96.96014	1.9
97.02956	1.6
98.20685	0.6
101.02432	1.8
106.98088	3.4
113.02419	0.6
122.97593	4.8
125.02393	3.4
127.04014	0.9
130.57127	0.4
134.97597	4.7
136.99141	1.7
146.97636	0.6
148.99120	6.1
152.98593	7.1
152.99600	0.7
154.61896	0.4
164.98615	13.5
171.10278	0.7
206.99739	2.7
209.11809	2.1
225.00731	22.6
226.01059	1.4
255.23215	1.1
283.04858	0.5
283.26508	1.6
310.84171	0.4
385.61655	0.5
509.16641	3.1
565.30347	1.5
622.29956	0.5
715.58673	0.5
793.44061	100.0
794.44415	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	795.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
58.00582	0.4
59.01381	14.7
68.99813	0.3
69.03445	0.5
71.01383	9.3
72.99313	0.7
73.02921	0.4
81.03468	2.1
81.48749	0.2
83.01392	0.8
83.05022	2.7
85.02946	4.6
87.00869	0.8
89.02443	11.1
92.01743	0.2
95.01378	0.8
95.05026	0.3
97.02946	1.2
99.04529	0.3
99.76605	0.3
101.01790	0.3
101.02448	5.8
107.05005	1.7
109.02962	3.6
111.04524	0.5
113.02445	3.6
119.03500	4.6
119.05000	0.7
121.02969	0.3
121.06596	4.7
123.04531	3.8
125.02378	0.4
127.04008	3.9
131.03474	0.3
131.05019	0.9
134.03758	0.6
139.07683	0.3
141.05544	0.7
143.03517	0.4
149.06070	7.6
150.06398	0.3
150.88254	0.2
161.04558	0.7
167.03494	1.7
167.07129	7.8
168.07410	0.4
179.05609	0.7
185.08183	7.2
186.08473	0.4
193.05049	1.5
211.06139	1.6
215.03987	0.2
229.07130	4.4
340.77316	0.2
391.12430	100.0
392.12796	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	793.4377
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03445	1.8
58.00588	0.6
59.01380	11.3
67.01898	0.4
68.99808	1.1
69.03445	0.9
70.99425	0.5
71.01382	9.6
72.99303	1.3
73.02947	2.2
75.00873	7.7
83.01385	1.1
85.02954	10.4
87.00857	1.0
89.02429	1.2
93.35941	0.4
95.01371	1.7
99.00879	13.0
101.02443	0.7
111.00875	0.5
111.41202	0.3
113.02445	4.5
127.70313	0.4
136.01927	0.4
157.01427	0.9
469.32886	0.5
471.34708	1.3
539.38013	0.5
585.37708	0.8
629.36053	0.5
659.41467	0.9
672.15247	0.4
726.30750	0.4
731.44019	2.9
793.43750	100.0
794.44128	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	793.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
60.94658	0.8
61.98822	1.9
71.01396	10.3
71.41934	1.6
73.02921	1.8
78.95914	1.2
78.98601	6.4
79.95737	16.7
80.96520	82.4
81.03448	1.3
82.96098	2.4
85.02935	3.3
87.00876	5.3
94.98091	19.5
96.96018	1.9
97.02918	2.3
99.36613	0.9
101.02425	2.0
106.98059	4.1
112.91319	0.8
122.97575	5.5
125.02402	3.1
127.04005	1.3
134.97598	6.0
136.99086	2.4
148.99138	6.9
152.98631	8.4
158.85077	0.9
164.97310	1.2
164.98636	14.8
168.40126	0.8
205.72435	0.9
206.99553	2.2
209.11780	1.8
224.98659	1.6
225.00740	23.8
226.01010	1.8
281.61710	0.9
283.26419	1.6
509.16653	2.7
565.29968	1.3
660.67273	1.1
793.43744	100.0
794.44250	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	793.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
55.59115	0.4
57.03440	0.4
59.01107	0.7
59.01385	10.1
60.41526	0.4
65.03966	24.3
66.04277	0.5
68.99819	0.9
69.03458	6.1
69.41167	2.4
69.41583	1.0
71.01003	0.7
71.01388	11.1
72.99299	0.8
73.02955	2.4
77.50542	0.4
81.03441	0.6
83.01372	2.2
85.02962	4.4
85.90320	0.4
87.00881	0.5
89.02444	5.8
93.03468	4.7
95.01391	0.7
95.05013	2.6
99.00891	2.2
101.02439	7.2
103.05532	1.0
103.32417	0.5
106.04253	1.9
107.05050	0.7
109.06593	0.5
111.00881	0.5
113.02448	4.5
119.03522	1.6
119.05029	3.3
121.06593	16.0
122.06937	0.7
123.04589	0.5
137.06046	1.2
139.04018	36.2
139.07657	1.2
140.04353	1.2
147.04543	0.9
161.04547	0.8
163.03996	0.6
163.07692	1.0
165.05571	21.9
166.05907	0.7
181.05099	0.6
183.06621	20.1
184.07048	0.9
207.06705	0.5
209.04573	7.4
210.04906	0.5
227.05579	2.2
301.04538	0.4
329.08542	0.7
345.11908	23.9
346.12225	1.3
378.91116	0.4
388.09415	0.6
389.10898	100.0
390.11197	7.8
602.21838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	3.6
59.01368	10.2
67.01900	4.2
71.01388	9.8
71.34517	5.4
74.25979	3.7
75.00887	6.1
78.95898	4.6
80.96545	4.5
85.02969	10.4
87.00893	5.7
96.96033	18.3
99.00909	6.3
110.26539	3.2
111.00163	6.9
111.00886	100.0
113.02419	5.0
113.16837	3.6
119.52671	3.5
137.00197	3.7
173.00871	20.4
176.94276	4.0
191.05580	4.9
209.11850	53.3
210.12167	4.3
211.13330	7.5
227.12836	16.5
243.79968	3.6
253.09244	12.3
293.21219	6.6
305.17569	10.5
311.22293	58.7
346.38992	4.0
445.20648	4.9
448.82684	4.0
487.34653	12.3
547.31775	4.6
775.42944	6.1
793.42340	80.4
794.42889	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	791.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.9
61.98811	10.6
71.01379	11.5
71.55149	3.8
78.95905	7.8
80.96529	3.9
83.05027	3.8
89.02407	3.3
96.96014	3.7
101.02422	4.9
109.06567	7.3
111.00852	8.6
113.02408	3.2
146.69405	2.7
152.99617	5.0
163.11316	5.4
165.12744	2.9
171.10268	13.4
174.12518	3.5
181.12100	3.0
191.05589	3.1
207.10272	25.0
209.11823	100.0
210.12099	7.7
225.11259	11.7
227.12956	20.4
235.08185	6.7
253.09293	20.2
291.19632	41.0
292.20221	7.4
293.21173	19.7
307.19092	7.4
309.20621	21.9
311.22324	21.2
312.22589	3.3
445.20990	3.3
461.20352	4.6
501.31384	3.2
535.48224	3.0
606.91162	2.9
705.32635	4.8
729.94055	3.2
737.41028	6.0
755.42377	15.1
756.42328	4.5
791.39136	38.8
792.40057	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	791.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89140	0.9
61.98834	5.2
63.96234	1.7
67.01868	1.2
70.36619	4.3
71.01386	9.6
73.02918	1.4
78.95920	2.4
78.98602	6.9
79.95734	13.9
80.96514	85.2
81.03471	1.2
85.02943	1.7
87.00871	2.7
92.16811	1.0
94.98083	16.2
96.96024	2.4
97.02932	1.4
98.20654	1.2
101.02415	2.4
106.98042	3.5
113.02438	1.2
122.97546	4.3
125.02435	4.3
134.97603	5.9
136.99117	1.5
143.70747	1.0
144.88605	1.1
148.99139	6.1
152.98601	7.3
164.98596	11.5
186.01089	1.3
192.13036	1.1
196.63557	1.1
206.99675	3.4
209.11903	2.3
225.00710	24.3
236.70554	1.1
281.24780	1.9
400.42474	1.2
453.02271	1.1
483.53650	1.1
509.16190	2.6
563.28583	1.4
791.42426	100.0
792.42719	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	791.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.6
57.03453	14.0
59.01387	8.0
61.98826	8.1
68.99816	1.4
71.01383	9.3
71.56161	1.6
72.99324	1.6
73.02959	1.1
75.00868	17.0
78.95883	1.4
83.01393	1.4
85.02950	21.4
87.00870	2.0
87.52081	1.0
93.03442	2.1
95.01386	2.1
96.96011	6.0
99.00851	2.1
99.04522	10.0
101.02421	5.3
111.00862	6.0
113.02452	12.9
116.92873	1.8
128.03911	1.0
161.04543	15.6
163.11255	1.1
170.68248	1.0
171.10286	5.7
173.58713	1.1
191.05591	3.4
197.11790	1.9
201.11343	2.1
209.11819	39.9
210.12155	2.6
211.13385	1.7
227.12883	8.5
235.08150	2.8
253.09363	10.4
291.19717	5.3
309.20712	33.1
310.21027	3.9
311.22366	2.4
445.20663	4.4
453.33881	1.6
471.34851	2.7
545.29425	2.6
585.37970	1.8
629.37122	1.5
647.37976	100.0
648.38275	17.7
689.39075	19.6
690.39276	3.1
737.40948	2.5
791.40125	30.6
792.40552	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	791.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.3
57.03448	1.3
58.00593	1.5
59.01383	53.0
59.28820	0.9
61.72363	0.8
65.03980	2.1
67.01890	4.2
68.99818	3.0
70.86275	1.3
70.86594	1.5
71.01382	33.2
72.99304	3.1
73.02947	1.9
81.03510	0.8
83.01375	2.0
85.02965	8.5
87.00886	4.1
89.02444	31.2
91.05540	5.6
93.03461	100.0
94.03786	3.1
95.01375	1.8
95.05031	1.1
101.02453	16.0
105.03431	1.4
107.05050	8.9
111.04548	1.9
113.02450	14.1
114.02749	0.9
114.48470	0.8
117.03453	0.9
119.03554	12.4
119.05025	32.4
120.05402	1.2
121.02945	3.0
123.04512	1.1
131.05031	1.1
133.02950	0.9
133.06540	1.6
135.04526	10.5
137.02457	34.0
137.06085	31.0
138.02780	2.4
143.03554	1.2
149.06107	1.2
151.03961	2.2
161.02464	10.0
161.04674	1.7
161.06078	3.8
163.04016	27.0
165.05557	1.4
171.93739	0.9
177.05534	3.0
179.03441	5.0
179.05623	6.9
179.07141	2.4
181.05067	64.1
182.05379	3.7
187.11026	1.1
193.05061	1.4
195.06595	3.9
205.05055	22.9
206.05452	1.5
207.02983	7.7
223.06120	20.9
224.06444	1.4
225.04062	2.9
235.06146	2.4
236.99290	0.9
247.06198	1.0
253.07184	1.2
261.20175	0.9
283.08411	1.9
297.43906	1.1
343.10339	96.8
344.10809	7.6
387.09335	97.6
388.09711	9.2
473.67371	1.0
482.86560	1.1
527.83447	1.0
683.03204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
57.03446	1.0
58.00591	2.6
59.01384	45.6
64.75104	0.8
65.03959	2.0
67.01898	2.7
68.99832	1.7
69.03465	1.5
70.00833	3.3
71.01387	33.8
71.55955	0.6
72.99300	2.2
73.02947	1.8
83.01408	2.0
85.02963	7.1
86.77027	0.8
87.00410	0.7
87.00864	3.8
89.02449	32.8
90.92245	0.6
91.05540	5.5
93.03462	100.0
94.03772	1.5
95.01408	1.5
95.05040	1.4
101.02447	15.3
102.56998	0.7
105.03474	1.1
107.05033	9.2
109.06607	1.5
111.04485	1.4
113.02460	12.4
117.03463	1.5
119.03546	12.8
119.05035	30.3
119.05916	1.5
120.05380	1.3
121.02972	2.7
131.03499	1.2
131.05025	1.1
133.06592	1.6
135.04541	9.3
137.02454	34.0
137.06085	32.5
138.06422	1.5
143.03496	1.7
143.05011	1.1
147.04478	0.8
149.04491	0.9
149.06104	1.0
151.03973	3.0
153.05492	1.7
158.10855	0.9
161.02470	7.5
161.04553	3.9
161.06084	3.9
163.04013	24.3
165.05667	0.8
175.59891	0.8
177.05600	2.5
179.03522	5.4
179.05612	5.6
179.07137	2.8
181.05069	65.5
182.05423	2.2
193.05086	1.7
195.06628	3.5
205.05051	21.3
206.05414	1.4
207.03008	6.5
223.06133	15.9
224.06555	1.1
225.04045	3.0
235.06134	2.0
253.07037	0.8
283.08203	1.5
343.06036	1.3
343.10333	83.9
344.10599	5.9
387.09338	98.3
388.09714	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	789.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89981	0.9
59.11420	1.0
61.98811	1.7
63.96261	1.4
64.21950	1.1
71.01380	7.5
71.28326	1.9
73.02939	1.7
75.47913	1.0
75.64182	1.1
76.95567	0.9
78.95895	2.8
78.98595	6.6
79.95739	15.5
80.96517	86.4
81.23346	1.1
83.42644	0.9
85.02943	3.7
87.00859	2.3
94.98094	21.0
96.96010	1.7
97.02927	2.9
101.02424	3.1
106.98071	4.2
118.00716	1.0
122.12967	1.1
122.97598	5.2
125.02419	3.4
134.52107	0.9
134.97569	7.1
136.99152	1.5
137.14076	1.0
148.99161	8.4
152.98598	6.6
164.98636	14.6
206.99684	3.1
222.72992	1.1
225.00757	23.1
226.91617	1.1
280.51614	1.2
281.24805	2.5
318.13071	1.0
507.15506	3.5
563.28528	1.2
744.61072	1.1
789.40997	100.0
790.41327	22.2
795.58185	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.0
61.98827	37.6
71.01382	67.2
71.46992	11.7
73.02915	7.1
78.95896	19.2
80.96524	11.6
83.05006	6.5
85.02930	11.3
89.02464	6.4
95.52493	7.7
96.96008	13.5
97.02959	9.8
101.02435	13.9
109.06574	30.1
111.00883	7.0
111.08124	9.3
112.35693	5.5
113.02450	10.0
152.99574	6.9
161.04541	6.7
163.11261	17.8
171.10275	32.7
177.12796	9.7
181.12383	6.5
185.11903	6.1
191.05717	15.9
195.13864	13.0
197.11913	8.1
201.11372	7.9
205.08696	11.8
207.10225	90.5
208.10355	7.1
209.11829	46.5
223.09756	15.4
225.11296	64.6
235.08237	16.7
253.09259	43.5
287.19778	6.4
291.19675	100.0
293.21194	65.2
294.21469	7.7
295.22775	36.7
309.20633	31.1
327.21741	20.6
342.85263	6.6
443.19504	9.3
461.20096	23.7
481.29297	8.4
648.11359	7.6
717.38788	10.5
735.39142	32.3
753.40778	32.8
789.37988	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.7
59.01368	4.5
61.98828	22.4
69.03454	24.8
70.09779	3.7
71.01382	12.2
75.00874	19.1
85.02956	14.8
87.00847	2.7
95.01391	2.2
96.96012	2.7
97.06561	1.4
98.20611	3.0
99.00883	1.5
101.94854	1.5
102.28128	1.3
111.00874	3.8
112.98605	1.8
113.02449	18.7
123.95195	1.3
145.71840	1.2
151.11302	1.3
157.01421	42.3
178.63734	1.3
191.05551	1.9
197.96678	1.7
207.10130	2.7
209.11810	25.2
225.11272	3.0
227.12881	8.2
235.08278	1.7
253.09364	2.9
263.20093	2.1
289.18222	3.7
307.19089	13.3
401.34570	1.5
445.20813	3.5
455.35468	4.6
497.46832	2.1
543.27832	3.8
555.36731	4.1
631.38525	100.0
632.38885	15.5
735.40021	2.6
753.41174	3.5
789.38879	12.5
790.39716	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	789.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	6.1
64.08300	1.2
66.78128	1.3
68.99575	99.0
71.01402	1.7
83.54270	1.3
87.00893	1.7
88.13926	1.3
96.96029	2.2
101.02444	1.4
109.06592	2.7
111.00893	5.3
112.98571	100.0
113.02464	3.4
113.98883	1.6
133.95341	1.2
134.89478	1.4
140.72949	1.3
163.11327	1.9
180.40767	1.2
197.11818	4.8
197.61700	1.1
207.10233	8.5
209.11833	2.8
225.11281	2.3
229.58498	1.5
235.08228	2.3
253.09311	3.4
291.19608	2.5
309.20807	11.1
342.74487	1.2
364.98975	1.3
443.19431	1.7
446.97012	1.4
461.20807	1.4
753.40363	7.9
754.41486	1.8
789.38141	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	789.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
57.21105	0.2
58.00592	0.7
59.01383	40.0
60.01727	0.3
63.94855	0.2
65.46452	0.2
69.53584	1.2
71.01384	9.6
71.01779	0.5
72.99318	0.8
73.02944	0.5
83.01400	0.6
85.02956	2.1
85.38929	0.2
87.00896	0.5
89.02445	9.1
93.03460	0.7
95.01395	0.8
96.96029	1.2
98.20685	0.4
99.00908	0.3
101.02448	6.6
111.90993	0.2
113.02461	3.4
119.03512	3.5
131.03528	0.4
135.04553	0.3
137.02448	0.5
149.04610	0.3
161.02461	0.6
161.04532	0.3
163.04129	0.3
163.11301	4.4
164.11551	0.2
179.05672	0.4
188.94896	0.2
191.03838	0.3
191.05623	2.0
201.85973	0.2
207.10258	7.7
208.03624	0.3
208.10593	0.5
210.46011	0.2
223.06134	0.7
225.11302	0.5
305.06976	0.4
307.08737	0.5
310.56760	0.2
353.09274	0.3
387.16608	100.0
388.16928	9.2
388.21030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.1
61.98839	0.4
68.38127	0.0
71.01379	0.1
74.74103	0.1
76.48734	0.0
78.95905	0.6
79.95741	3.4
80.96518	0.1
82.95399	0.1
85.02952	0.1
96.96015	100.0
97.95972	0.3
98.95679	0.1
101.02469	0.1
159.94221	0.1
169.12370	0.2
171.10291	0.3
191.05624	0.1
197.11835	0.4
207.10213	0.1
209.11858	0.2
211.13368	0.1
224.43904	0.1
247.00035	0.1
253.09247	0.1
327.21750	0.1
339.52396	0.1
397.13535	0.1
434.24100	0.1
606.16595	0.1
630.62274	0.1
771.10065	0.1
787.41754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69282	7.5
57.02083	7.4
59.01372	25.9
61.98813	32.3
64.04202	7.1
65.62242	7.3
69.36840	62.8
71.01376	25.7
85.02941	15.5
87.00861	16.4
89.02436	13.4
92.60841	8.9
96.96031	12.0
98.20711	14.4
101.02433	16.9
109.06560	29.1
111.00907	10.6
130.85269	8.5
163.11270	17.2
171.10178	17.8
185.11839	8.2
191.05560	44.6
207.10222	100.0
209.11855	58.3
210.12535	8.0
211.13351	8.6
225.11325	57.0
235.08228	17.0
245.19205	12.3
253.09254	22.6
289.18045	35.9
291.19547	13.2
293.21338	15.9
307.19223	69.8
443.18979	11.8
461.20239	19.6
515.30255	9.7
635.30615	19.3
673.17822	8.6
715.38025	12.5
733.38300	27.1
751.39154	85.7
752.39215	9.5
787.35815	59.8
788.38196	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	787.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
58.00596	0.4
59.01381	9.4
65.03944	0.3
65.36918	0.2
68.99814	40.6
69.35487	0.6
69.35906	1.2
70.00159	0.5
71.01003	0.5
71.01381	7.1
72.99295	0.5
73.02943	0.9
75.00989	0.2
81.03457	0.4
83.01385	0.5
84.73335	0.2
85.02944	2.0
87.00873	0.7
89.02447	5.0
91.05517	0.3
93.03455	13.0
95.01377	1.0
96.96017	1.8
98.20612	0.3
99.00880	1.0
101.02440	100.0
102.02796	1.9
105.03445	0.3
105.07114	0.8
106.04276	0.4
107.01433	0.3
107.05029	5.2
108.02137	0.3
108.05373	0.3
109.02978	0.3
111.00818	0.2
113.02445	2.0
117.03452	2.9
119.03531	1.6
119.05041	1.6
121.02952	2.6
121.06593	1.3
123.04507	0.4
133.01421	0.2
133.02943	3.7
135.04523	8.5
136.04869	0.2
137.02434	6.6
138.02789	0.3
143.03494	0.3
145.02937	2.4
149.02451	0.2
149.06058	1.0
150.06387	0.3
151.04004	1.8
153.05528	0.6
154.24150	0.2
161.02422	1.6
161.04491	0.3
162.03172	1.2
163.03992	3.1
174.09633	0.2
177.05583	3.5
179.05644	0.2
179.18190	0.2
185.03828	0.2
189.01996	0.4
191.05612	5.2
191.07333	0.3
192.05969	0.3
195.06619	40.2
196.06964	2.1
197.04547	1.0
207.02950	1.7
209.11786	1.1
211.06183	0.5
221.04535	3.5
239.05602	8.3
240.05853	0.5
288.48434	0.2
291.12683	1.3
292.12973	0.3
325.09204	1.0
337.09271	0.8
341.08481	0.3
357.11847	1.0
369.08350	0.5
372.97186	0.2
397.13760	0.5
401.10852	97.8
402.11227	8.3
417.97461	0.2
446.08487	0.3
534.85925	0.2
640.42737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98829	100.0
62.98552	0.2
65.05423	0.1
68.99574	0.7
71.01391	0.3
71.55156	0.1
75.00848	0.2
78.91906	0.2
78.95918	0.1
79.95713	0.6
80.96511	0.3
81.54264	0.1
85.02976	0.2
89.02396	0.1
93.03466	0.5
94.98097	0.2
96.96010	12.2
101.02441	0.2
111.00917	0.2
112.98550	0.8
135.04538	0.3
137.02402	0.2
137.29883	0.1
141.21336	0.1
154.38908	0.1
163.11296	0.2
173.04497	0.3
191.05595	1.3
197.11542	0.1
207.10275	0.2
209.11858	0.5
225.11382	0.2
253.09209	0.1
289.18256	0.1
341.52945	0.1
449.14371	0.1
564.26801	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.7
59.01382	52.0
61.98835	10.1
65.00326	1.7
69.03471	1.6
71.01003	1.5
71.01387	25.0
72.99311	1.5
73.02946	21.0
74.74216	0.8
75.00877	1.1
79.95730	1.2
80.96525	1.5
83.01380	8.5
85.02944	6.2
87.00871	3.0
89.02449	8.8
91.01904	3.7
93.03483	6.5
95.01393	1.7
96.96015	17.4
99.00838	1.4
99.04524	4.5
101.02447	26.5
109.02924	1.6
111.00862	3.8
111.04509	1.7
113.02467	10.8
116.92854	1.3
117.03429	1.4
119.01371	9.8
119.03471	3.7
119.05028	1.1
121.02967	12.4
121.94668	0.9
125.02446	2.1
127.04021	0.9
131.03464	2.5
132.02097	1.5
133.03000	2.3
134.03732	2.6
135.04526	11.9
137.02431	5.1
138.03192	1.6
143.03455	2.3
145.02985	1.5
147.00893	7.0
147.04495	2.9
149.02452	47.0
149.04456	2.9
150.03271	4.5
151.03944	3.2
152.01129	2.7
155.03464	2.5
159.04469	1.4
161.02489	5.1
161.04559	13.5
162.03192	2.1
163.04021	5.9
164.04796	33.5
165.01929	2.5
165.05554	2.9
166.02715	1.0
167.03448	1.4
173.02361	1.5
173.04578	9.2
175.00374	43.8
175.03943	3.9
176.01097	6.1
176.04591	1.1
177.01944	1.4
177.05522	3.1
179.03558	4.6
179.05675	1.1
179.07031	5.2
181.05011	2.0
184.71060	0.9
187.04018	1.7
188.04712	1.8
189.01889	2.4
189.05536	2.0
190.02734	100.0
191.03336	9.6
191.05592	27.5
191.07135	1.3
192.04260	1.6
192.05934	1.8
193.01404	1.8
193.04999	2.1
194.02048	1.1
195.06570	1.1
203.03481	1.1
203.07103	2.0
205.05066	93.7
206.05701	10.8
207.02991	2.4
207.06488	1.4
208.03833	4.8
209.04497	3.0
219.06445	1.6
221.08223	9.7
222.05264	1.3
223.06122	50.3
224.06377	2.8
233.06654	1.2
235.02470	1.5
235.09682	1.0
237.07845	2.0
250.04816	1.9
251.05399	1.2
265.07175	27.6
266.07532	1.3
271.02374	1.2
295.08197	8.7
325.09274	12.9
326.09354	1.5
335.07404	1.5
341.10248	1.5
352.07834	2.6
353.08780	2.2
363.52795	1.0
371.10803	1.1
385.11292	3.9
386.13519	1.1
387.14410	2.9
401.16168	6.8
497.12973	8.0
535.19800	8.4
544.45947	1.1
549.19843	3.1
563.21466	1.8
581.22504	1.4
625.21332	1.2
697.26599	1.4
772.26392	1.2
787.28076	70.0
788.28442	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	783.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
58.00589	0.6
59.01382	15.9
59.45844	0.2
65.03956	0.2
68.99844	0.3
69.03458	0.4
71.01387	8.9
72.01734	0.3
72.99309	0.5
73.02948	0.5
75.43081	0.2
81.03452	1.8
83.01385	0.7
83.05021	3.3
84.02203	0.2
85.02957	4.5
87.00866	1.0
89.02445	11.3
93.03459	0.6
95.01392	0.7
95.05029	0.3
97.02959	1.1
98.20649	0.5
99.04535	0.4
101.02443	5.3
106.04250	0.4
107.05044	1.9
109.02946	4.3
111.04527	0.3
113.02438	3.9
114.02738	0.3
119.03511	4.5
119.05020	0.8
121.06598	5.6
122.06982	0.3
123.04527	3.0
124.04782	0.2
125.06131	0.3
127.04018	3.8
128.04315	0.3
131.03539	0.3
131.05009	0.7
132.88635	0.2
134.03691	0.4
139.07655	0.6
141.05598	0.9
143.03537	0.3
149.06075	7.6
150.06412	0.3
153.01958	0.2
161.04541	0.5
162.45483	0.2
167.03511	1.6
167.07133	9.8
168.07491	0.6
169.74399	0.2
179.05630	0.8
185.08186	8.1
186.08580	0.3
193.05000	1.3
211.06052	1.7
229.07195	5.2
230.07521	0.2
391.12451	100.0
392.12808	8.6
596.34790	0.3
691.91693	0.2
731.75464	0.2
759.53180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39500	2.8
59.01375	8.4
71.01395	10.6
71.02487	4.7
72.00902	8.2
75.00906	2.8
80.96546	4.1
82.01743	7.7
85.02943	3.3
87.95910	2.5
88.98811	8.3
89.02448	7.6
91.05565	5.7
91.35545	2.1
93.03460	17.5
95.02541	2.8
96.96019	8.0
97.00420	4.9
98.01247	6.9
101.02442	4.8
106.04276	2.7
107.05043	4.1
108.02218	2.7
111.00857	13.1
111.02029	7.5
113.02435	4.2
116.05047	18.6
117.03483	15.1
118.06641	20.3
119.03500	5.6
119.05028	25.6
121.03018	2.5
128.05078	6.0
131.03764	2.3
131.05049	3.8
133.05333	4.7
134.06107	15.8
135.04517	3.5
145.03056	2.5
146.06102	11.3
147.04530	3.4
149.06094	2.5
157.05357	3.6
158.06071	3.3
160.07747	4.3
162.05614	19.2
163.03996	30.9
171.05644	47.7
171.10316	3.0
172.04034	10.1
172.06412	64.9
173.04637	3.6
173.07083	9.5
180.06650	100.0
181.07066	3.5
186.05611	10.4
187.05106	19.2
189.06685	42.6
191.05612	9.0
191.08334	3.4
200.05952	6.4
201.06712	3.4
206.04553	15.1
209.11778	3.4
215.04614	3.5
216.05415	18.8
217.06036	3.7
217.65408	3.1
236.10933	3.0
246.09145	14.0
247.12294	4.3
248.10829	8.5
261.10446	4.1
262.08966	2.7
263.11874	92.6
264.10132	19.1
266.11728	12.8
275.11896	4.4
289.09842	53.4
290.10193	7.2
291.11392	8.9
292.09769	11.0
302.10574	3.3
307.10916	24.3
309.12192	4.1
310.10846	7.7
327.13489	4.0
330.12369	3.8
335.53467	2.9
344.10434	10.4
353.11432	11.8
365.16422	4.8
368.35880	2.7
393.16129	23.8
419.13925	4.8
455.16113	4.0
472.19040	6.7
482.16934	8.1
500.18280	13.9
509.15842	6.5
538.21210	15.6
539.21661	3.4
556.22430	5.9
557.22705	2.5
574.23553	46.4
575.23657	7.2
582.20178	3.3
600.21326	90.7
601.21558	19.5
616.24615	5.1
618.22626	21.2
619.23022	4.1
638.95135	2.7
642.22552	24.9
643.22290	4.9
660.23444	3.2
661.25024	3.1
702.24854	5.6
720.26288	4.1
762.26630	5.0
780.27783	36.3
781.28290	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	779.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03421	1.6
58.00577	0.9
59.01379	25.2
61.98832	5.6
63.78047	0.4
67.00156	0.4
67.01882	0.6
68.99803	0.8
71.01384	15.9
71.04999	0.8
71.55449	0.6
72.99296	1.4
73.02943	1.6
75.00873	10.1
79.95766	0.5
80.96534	0.5
83.01383	1.8
83.05029	0.7
83.22375	0.4
85.02948	9.3
87.00870	1.6
88.98804	3.3
89.02452	5.4
89.39878	0.4
93.03457	0.7
94.86675	0.4
95.01407	2.4
96.96011	2.3
99.00260	0.7
99.00875	10.9
99.04469	0.5
101.02437	2.6
109.02960	0.4
111.00851	1.9
113.01826	0.5
113.02461	6.0
116.01091	0.5
129.01898	0.7
154.25081	0.4
157.01419	1.1
161.02390	0.6
161.04460	0.7
170.85583	0.4
171.10197	0.5
173.04541	0.7
175.55547	0.5
191.05594	1.9
209.11775	1.9
223.92422	0.5
245.02774	0.4
397.13577	0.7
453.33673	0.7
469.33292	1.2
471.34937	2.7
539.37372	1.0
565.44611	0.5
585.37994	0.9
611.36102	0.6
629.36548	1.7
644.09595	0.5
645.40320	1.0
717.41388	3.1
718.42194	0.4
719.21210	0.6
767.37933	0.6
779.42230	100.0
780.42664	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03450	2.2
58.00568	0.7
59.01384	10.0
67.01859	0.5
68.99815	1.5
69.20000	4.2
69.71359	0.4
71.01385	13.6
71.86787	0.5
72.99307	0.8
73.02943	1.6
75.00880	7.3
77.19949	0.4
83.01390	1.5
85.02956	10.3
87.00877	1.3
89.02444	4.8
95.01383	2.0
96.96058	0.6
98.19831	1.0
98.70702	0.4
99.00888	13.4
101.02451	0.7
109.30398	0.5
111.00880	1.1
113.02451	6.0
131.03517	0.7
157.01405	1.3
204.73868	0.5
208.46446	0.6
223.67943	0.4
362.05139	0.5
469.33322	1.2
471.34735	1.4
520.38171	0.5
539.37836	0.8
629.36951	0.9
645.39587	0.6
717.42285	2.8
730.91296	0.5
779.42224	100.0
780.42566	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	777.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01376	0.8
63.96228	1.5
68.99821	0.4
69.03458	0.8
71.01009	0.5
71.01380	8.3
71.40928	0.5
71.41261	0.4
73.02950	1.9
78.09479	0.3
78.95908	2.7
78.98592	5.9
79.28829	0.3
79.45818	0.4
79.95734	15.1
80.96516	78.0
81.03432	0.8
83.01346	0.6
85.02951	2.8
87.00880	3.0
94.98085	17.4
96.96001	1.4
97.02972	1.4
99.00902	0.7
99.04465	0.4
101.02441	2.7
106.98091	3.1
113.02475	0.5
122.97568	5.4
125.02447	3.2
127.03989	0.9
134.57060	0.4
134.97578	5.7
136.99129	1.3
140.02895	0.4
146.97665	0.5
148.99127	6.7
152.98621	6.3
152.99716	0.7
161.04547	0.5
164.98621	12.7
167.00195	0.7
182.99750	0.4
188.98714	0.5
196.89420	2.1
206.99686	2.8
207.10237	0.4
223.13440	0.5
225.00735	20.3
226.01077	0.6
241.01178	0.8
255.23218	2.9
283.04816	0.5
391.23117	0.5
507.15268	0.7
521.16797	2.0
537.27478	1.0
551.28607	0.5
684.18945	0.5
738.64954	0.5
777.40967	100.0
778.41223	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	775.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
66.20782	0.1
69.25761	0.6
71.01376	0.1
78.95900	0.7
79.95742	3.2
85.02910	0.1
93.03452	0.2
93.66714	0.1
94.77088	0.1
96.96015	100.0
97.95947	0.3
98.20602	0.1
109.02979	0.1
118.53172	0.1
135.04544	0.1
154.94395	0.1
191.05605	0.5
197.11859	0.1
201.75465	0.1
315.14581	0.1
352.08359	0.1
775.46558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
58.00582	1.5
58.70181	0.5
59.01382	31.2
67.01886	0.6
69.03116	0.8
69.03458	12.4
69.77200	2.7
70.03787	0.5
71.01384	22.3
72.99313	1.5
73.02930	0.9
79.05534	1.9
80.02690	0.6
81.03458	1.0
83.01390	1.5
85.02952	4.6
87.00888	1.8
89.02442	18.7
92.88323	0.5
93.03467	2.2
93.07119	0.7
93.40714	0.5
95.01399	1.1
95.05036	4.9
97.02958	10.8
97.06544	0.7
99.00826	0.6
99.04497	0.9
101.02445	11.1
102.27422	0.6
105.03465	2.0
106.04264	2.7
107.05048	2.9
108.02158	3.9
113.01706	0.9
113.02459	12.5
119.03509	7.4
119.05034	0.8
121.06603	17.1
123.04529	68.9
124.04813	2.6
125.02482	0.8
125.06046	0.6
131.03528	0.6
131.05029	3.5
134.03737	6.7
143.03490	2.3
149.06088	29.1
150.06427	1.1
161.04573	6.4
167.07137	20.3
168.07452	0.5
175.03987	0.8
179.05624	11.0
180.05824	0.7
191.07129	1.2
193.05054	100.0
194.05424	5.1
200.15228	0.6
200.38573	0.5
201.55023	0.5
209.08212	0.8
211.06042	4.1
221.08203	0.5
373.11386	69.1
374.11737	6.5
520.82715	0.6
623.35492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03453	1.5
59.01385	13.1
61.98815	1.2
67.01865	0.7
68.99815	0.8
71.01003	1.3
71.01384	24.3
72.99301	2.9
73.02954	4.1
75.00470	0.9
75.00875	13.6
82.95443	1.6
83.01383	2.1
84.95124	3.1
85.02456	1.0
85.02956	19.8
86.00092	1.4
87.00880	7.0
87.04505	0.9
87.31967	0.7
89.02451	3.4
93.03445	1.0
95.01398	2.2
96.96014	10.8
98.95600	1.4
99.00268	1.0
99.00886	15.9
101.02467	3.1
103.04004	1.2
105.69354	0.6
111.00877	2.7
113.02454	14.0
115.00346	0.8
115.04002	1.1
119.03559	0.8
119.21236	0.6
131.03513	2.2
135.04489	0.9
137.02431	0.8
143.03468	1.4
157.01401	1.1
161.02477	1.0
161.04573	0.7
171.10170	0.8
171.55638	0.8
173.04526	0.7
187.07680	0.9
191.05621	3.8
207.10318	0.7
209.11812	1.7
215.07088	2.4
225.11299	0.8
233.06471	1.1
259.08237	0.9
339.62515	0.7
403.26465	2.9
405.28030	1.4
449.26608	1.0
454.16278	2.3
537.15460	0.7
594.57684	0.7
775.39081	100.0
776.39441	23.4
776.53888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.6
61.98835	6.2
62.04453	2.2
69.52509	13.1
69.52922	5.2
71.01360	3.4
78.95905	3.9
80.96525	3.3
85.02955	6.4
87.00880	3.2
93.03464	5.9
96.96017	44.4
101.02423	4.0
103.86652	2.6
111.00921	2.3
113.02467	3.0
113.09729	4.1
133.99574	2.4
153.73090	2.4
161.02417	2.3
169.12328	7.9
174.56462	2.1
191.05624	68.7
191.10747	2.4
192.06042	6.5
207.10263	3.5
209.11829	50.7
210.12143	3.3
222.04332	2.7
225.11443	2.8
227.12869	20.2
235.08293	4.6
253.09253	10.5
293.21259	100.0
294.21591	7.3
296.15643	2.3
445.20496	3.7
508.64694	2.8
529.30176	18.8
702.98547	3.1
721.41534	4.6
775.40411	49.9
776.40717	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	775.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
57.03442	0.8
58.00595	0.5
59.01383	30.8
64.89057	0.4
67.01922	0.3
68.99840	0.4
69.03477	0.3
71.01384	7.3
71.56080	0.5
73.02949	1.7
73.29422	0.3
81.37122	0.3
83.01385	0.8
83.90347	0.3
85.02950	3.8
87.00885	1.0
89.02449	3.5
93.03470	1.8
96.96015	6.6
99.00885	0.9
99.04499	0.8
101.02448	6.2
103.30795	0.4
108.79883	0.3
113.02460	3.1
117.01786	0.4
119.03525	1.9
119.04982	0.5
135.04526	0.4
137.02515	0.4
151.00372	0.4
161.04523	1.2
165.12845	1.0
172.72495	0.4
173.04549	2.1
179.03549	0.6
179.05617	0.5
191.05624	9.9
209.11868	2.9
210.15918	0.4
227.12984	1.7
242.06824	0.3
307.08679	5.9
307.12253	1.1
308.08850	0.8
314.14291	0.4
329.15942	0.6
353.08664	0.4
371.17017	0.6
389.18182	100.0
390.18585	8.0
432.44443	0.4
535.10968	0.7
593.81555	0.4
621.12384	0.7
775.23517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98818	0.3
63.60001	0.1
70.68575	0.1
70.68938	0.2
71.01395	0.1
78.95905	1.5
79.95744	3.2
94.92523	0.2
96.92226	0.4
96.96015	100.0
97.95961	0.2
109.12351	0.1
111.00932	0.1
113.02442	0.1
113.85172	0.1
154.01315	0.1
183.09966	0.1
191.05608	0.1
209.11967	0.1
225.11417	0.1
279.23352	0.2
293.21298	0.1
350.72198	0.1
435.08539	0.1
453.09338	0.3
477.94519	0.1
596.33698	0.1
631.38623	0.2
688.14911	0.1
715.32605	0.4
775.42145	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.3
55.63233	1.4
57.03445	3.8
58.00592	4.4
59.01379	99.4
60.01717	1.4
60.99296	1.9
61.98827	4.8
67.01895	1.6
69.39825	1.4
71.01381	83.6
71.55616	2.3
72.99301	7.4
73.02941	3.4
75.00880	1.3
78.40021	1.3
79.95714	1.5
81.03415	1.4
83.01375	3.3
85.02957	16.8
87.00861	9.0
88.98809	1.5
89.02444	100.0
90.02808	1.4
90.67899	1.3
90.86745	1.3
93.03474	9.2
95.01387	6.5
95.60017	1.3
96.96014	15.5
97.95921	1.5
99.00874	1.5
99.04526	2.6
101.02441	45.7
107.03437	1.4
107.05048	1.5
107.59511	1.3
108.02163	1.7
109.02980	3.0
111.00909	2.9
111.04534	1.4
113.02455	36.5
117.03438	1.6
119.03502	40.6
119.04909	1.6
120.03848	1.4
120.24213	1.2
121.02930	4.7
122.03718	7.7
123.00854	2.0
123.04539	1.6
124.01694	1.8
125.02451	2.4
131.03488	4.9
132.92400	1.2
133.02975	2.9
134.03758	2.6
135.04541	3.0
136.01680	3.2
137.02463	7.4
139.03966	1.8
143.03534	8.7
145.02946	10.1
146.03720	4.2
147.04472	1.9
149.02437	11.5
149.04515	3.2
149.06128	1.8
150.03226	55.0
151.00377	11.8
151.03990	5.9
153.01979	1.7
161.02477	9.8
161.04559	10.5
161.05920	2.6
162.03223	35.3
163.03830	2.2
164.04785	2.5
165.05571	56.3
166.02722	39.5
166.05815	2.9
170.09859	1.3
173.04562	4.1
175.04059	3.3
177.01958	4.6
177.05559	20.2
179.03397	1.5
179.04019	2.0
179.05620	24.5
180.04269	6.3
181.05070	38.3
182.05327	2.2
187.04037	1.5
191.03627	2.4
191.05585	25.0
192.04314	2.4
195.06625	56.1
196.06932	3.8
205.05019	3.1
205.08682	1.6
206.54190	1.6
207.06578	3.3
219.06651	2.3
220.07539	1.3
285.03894	3.0
357.11932	3.8
383.61032	1.4
386.13608	2.0
387.10110	6.3
387.14587	4.3
402.12976	4.1
417.15558	28.9
418.15845	3.3
482.47400	1.8
498.87079	1.6
546.27502	1.5
565.20990	4.0
577.20831	22.0
578.21332	3.6
613.22870	13.9
614.24103	1.9
775.28400	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.8
59.01379	8.2
68.99825	1.0
69.03435	0.8
71.01379	50.2
71.55280	0.9
72.99306	0.9
73.02914	0.8
83.01392	0.8
85.02954	1.6
89.02447	4.7
92.10168	0.6
93.03452	15.4
95.01421	0.7
95.05048	0.8
96.95973	0.7
101.02480	2.8
101.03974	0.8
107.05024	1.3
113.02429	2.7
119.03533	0.9
119.05012	11.3
121.02930	4.4
121.06606	1.1
135.04524	2.8
137.01443	1.1
137.02440	13.7
137.06075	2.9
147.04510	9.8
163.04010	3.4
163.36305	0.6
165.05560	30.8
166.05898	1.8
181.05046	1.3
191.03510	10.9
209.04518	14.4
250.15164	0.6
327.10767	2.9
371.09796	100.0
372.10147	7.5
616.96051	0.6
656.03802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.4
58.00594	1.0
59.01380	10.0
61.98817	4.1
64.25117	0.8
69.37247	7.0
71.01387	25.7
73.02964	4.2
78.95921	2.0
79.95715	1.1
80.02683	1.0
81.03457	2.7
83.01387	1.9
83.05022	7.4
85.02951	4.4
87.00867	4.5
89.02438	4.0
95.01360	1.3
95.05033	2.0
96.96012	53.9
97.02948	3.1
97.06582	1.7
98.19844	1.7
99.00869	1.8
101.02447	7.4
109.02979	0.9
109.06622	6.4
113.02426	4.3
113.09719	1.8
113.26726	0.9
116.92855	1.4
120.03502	0.8
121.10229	2.1
123.04510	1.3
123.08150	1.3
125.02398	1.1
125.06020	0.9
125.09739	6.2
127.11269	2.9
135.08156	2.1
137.02496	1.0
137.09698	1.5
139.11281	4.4
143.03464	1.8
145.05046	1.4
151.11284	2.6
155.10776	1.4
161.04530	3.2
163.11267	9.8
165.09203	1.0
165.12865	6.4
167.10756	2.6
169.12341	1.8
171.10274	57.2
172.10641	2.7
173.04572	0.9
179.10686	1.1
181.12358	5.8
183.13841	1.4
185.11830	5.9
191.05603	1.4
191.10686	0.8
193.12335	5.7
193.15901	1.2
197.11813	4.2
199.09851	1.3
199.13359	1.2
201.11333	21.1
202.11584	1.6
207.10272	20.9
208.10591	1.5
209.11833	70.9
210.12241	4.1
211.13380	9.5
215.12860	3.3
225.11316	33.3
226.11615	2.4
227.12961	6.7
235.08255	7.3
243.12318	2.2
247.20659	2.6
249.22195	1.2
253.09277	24.0
265.21661	2.5
273.18542	1.5
291.19675	15.1
292.20065	1.1
293.21268	21.6
294.21600	2.1
309.20718	13.0
310.20795	1.2
311.22290	100.0
312.22665	9.3
443.19037	2.5
445.20779	1.0
461.20261	3.6
465.31799	1.3
479.21548	1.1
547.31122	3.1
717.38049	1.0
755.42212	5.1
756.42847	1.1
773.43011	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	773.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	19.3
61.98828	36.8
68.73454	7.5
70.51760	8.5
71.01379	13.4
71.54031	9.8
96.96001	15.9
98.39526	8.5
135.03899	8.5
191.05591	11.7
207.10258	67.1
209.11862	27.7
215.13872	9.9
225.11258	25.5
253.09259	35.3
293.21280	100.0
295.22800	20.5
391.34680	10.0
737.41119	54.2
773.38470	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
56.13431	0.2
57.03456	1.7
58.00590	0.3
59.01376	4.1
61.98831	1.6
62.82621	0.2
69.03458	1.3
71.01379	5.2
71.55148	0.4
72.99299	0.3
73.02937	1.1
78.95934	0.4
79.95750	0.4
79.99491	0.2
80.02678	0.9
81.03458	1.3
82.95421	1.9
83.01390	0.8
83.05024	4.6
84.02160	0.8
84.95115	0.4
85.02948	5.9
87.00887	1.2
89.02447	2.9
91.04012	0.5
93.03453	0.5
95.01384	0.4
95.05036	0.7
96.96011	14.0
97.02956	1.2
97.06603	1.3
98.95592	0.9
98.96451	0.2
99.00880	0.7
101.02435	4.6
109.06606	0.7
111.00867	0.7
111.08176	0.3
111.81174	0.2
113.02461	2.9
116.92845	0.5
119.03492	1.3
123.08212	0.3
125.02428	0.2
125.06060	0.5
125.09715	0.8
127.11292	1.4
129.55939	0.2
133.05098	0.3
135.04482	0.3
135.08174	0.6
137.09717	2.2
143.03502	0.4
145.05055	0.7
153.09201	0.3
155.10765	0.6
161.02444	0.2
161.04536	1.9
163.11296	4.3
165.12848	2.3
167.14369	0.2
171.10268	18.9
172.10614	0.9
173.04375	0.2
175.39931	0.2
177.12755	0.3
179.05617	0.7
181.12328	1.0
183.13940	1.4
185.11797	0.6
191.05473	1.2
191.10788	0.9
193.12244	0.5
197.11911	0.4
199.13362	0.5
201.11327	1.3
207.10225	0.9
209.11819	100.0
210.12158	5.6
211.11455	0.4
211.13385	6.6
212.13672	0.4
221.11923	1.5
225.11328	0.8
226.11746	0.3
227.12885	14.4
228.13142	0.7
229.12263	0.4
229.14442	5.8
230.14783	0.3
235.08214	9.5
236.08527	0.3
239.12839	1.0
247.20863	0.3
253.09273	20.8
254.09563	1.0
291.19690	2.8
292.19943	0.3
296.12512	0.3
307.19293	0.3
309.20724	8.5
310.21005	0.6
327.21753	63.8
328.22095	6.2
434.30264	0.2
445.20825	2.3
446.20990	0.3
479.21313	0.3
508.58633	0.2
519.33002	1.1
537.34070	0.5
545.29675	1.9
563.30707	4.1
564.31384	0.3
773.43958	0.3
776.38641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62007	10.5
59.01366	18.2
60.16330	9.2
61.98833	89.1
71.01381	19.4
78.95908	16.5
80.96514	16.0
84.92417	9.9
92.92783	15.8
96.96010	77.1
108.63645	10.4
109.06596	12.6
111.00826	16.0
116.92837	42.7
117.92861	19.7
118.92680	11.6
118.96959	46.0
119.03529	14.0
130.14230	10.6
137.73024	11.2
191.05603	43.8
206.35271	11.5
207.10191	43.2
209.11783	15.1
225.00864	11.5
225.11348	23.4
272.99603	10.4
293.21292	100.0
294.21811	12.4
295.22592	16.9
328.92044	11.5
375.18207	26.6
523.02496	10.7
719.39923	46.8
737.40863	47.9
773.38739	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	773.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92073	0.1
54.14958	0.1
59.01373	0.3
61.98810	0.2
64.65900	0.1
64.69058	0.1
70.69122	0.1
70.69456	0.2
71.01377	0.8
78.95900	1.4
79.95737	3.6
83.05016	0.1
85.02939	0.1
87.00832	0.1
89.02446	0.1
96.96010	100.0
97.95943	0.3
109.06577	0.1
113.02460	0.1
125.09737	0.1
127.78366	0.1
159.86977	0.1
163.11288	0.3
165.12759	0.1
169.12384	0.2
171.10266	1.2
176.53253	0.1
181.12366	0.1
182.01488	0.1
185.11810	0.2
193.12332	0.1
197.11853	0.1
201.11279	0.4
207.10281	0.6
209.11810	1.3
210.12080	0.2
211.13382	0.1
218.48163	0.1
225.11305	0.8
227.12871	0.1
235.08162	0.1
243.58322	0.1
253.09232	0.5
256.21008	0.1
268.82156	0.1
291.19748	0.2
293.21280	0.5
309.20789	0.3
311.22290	1.9
312.22708	0.1
453.09702	0.1
603.83325	0.1
713.30750	0.2
773.42828	0.1
784.34802	0.1
791.61835	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	771.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03435	1.1
59.01381	5.2
61.98831	4.6
64.26191	0.3
69.03458	1.1
71.01383	4.5
71.05014	1.4
71.55994	0.3
72.99296	0.3
73.02955	1.2
80.02671	1.7
81.03474	1.6
82.95429	1.1
83.01404	0.5
83.05032	6.1
84.02177	1.1
84.92028	0.3
85.02968	2.5
85.06530	0.3
87.00896	0.8
89.02454	2.7
93.03449	0.7
95.01430	0.4
95.05031	1.3
96.96014	7.9
97.02940	2.1
97.06602	1.4
98.95607	0.6
101.02460	3.6
107.05031	0.7
109.06596	11.3
110.06947	0.4
111.00880	0.4
111.04556	0.3
113.02446	2.1
119.03487	0.8
123.04522	0.4
125.02426	0.4
125.06068	1.0
125.09740	0.4
127.07661	1.0
127.11313	0.5
130.64778	0.3
135.08115	1.1
137.09692	0.5
145.05067	0.4
151.11227	0.4
153.12856	0.4
161.04581	1.7
161.09656	0.4
163.11287	6.3
163.12560	0.6
164.11635	0.4
165.12851	2.3
169.12361	1.1
171.10262	5.7
179.05623	0.8
179.10764	0.5
181.12326	1.9
183.13889	0.7
185.11836	0.4
191.05637	1.2
191.10809	1.2
193.12328	0.7
197.11847	11.7
198.12224	0.8
199.13377	0.9
201.11301	0.5
207.10272	13.4
208.10655	1.0
209.11829	100.0
210.12148	5.8
211.13402	9.7
212.13730	0.6
217.92175	0.3
219.13795	0.3
221.11871	0.3
223.09660	0.3
225.11304	6.5
226.11728	0.4
227.12886	13.0
228.13245	0.7
229.14400	1.6
235.08205	4.8
235.13348	2.0
237.14928	1.6
249.14944	0.5
253.09276	15.6
254.09706	0.9
289.18106	2.0
291.19711	1.1
307.19064	1.9
309.20663	2.3
325.20190	32.0
326.20554	3.0
327.21762	13.9
327.25668	0.4
328.22205	0.9
433.21039	0.4
443.19208	0.9
445.20691	1.5
461.20340	1.7
462.20203	0.3
517.31525	0.7
543.28210	0.6
545.29895	0.4
546.90460	0.4
561.29022	1.3
563.30652	1.3
608.14386	0.3
753.40558	1.1
771.41864	6.6
772.42010	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
55.34303	1.1
57.03440	2.9
59.01105	1.3
59.01377	15.3
61.98825	1.6
67.01859	1.4
69.03444	3.3
69.62675	7.0
71.01382	37.1
72.99326	1.1
73.02931	5.6
79.95721	1.3
80.02667	1.9
81.03469	2.7
83.01379	3.6
83.05021	8.1
84.02160	1.5
85.02948	5.7
87.00874	4.2
89.02455	6.1
89.52862	1.2
93.03438	1.3
93.04707	1.3
95.01374	1.8
95.05006	4.6
96.96007	24.1
97.02946	10.0
97.06586	3.1
99.00877	2.7
101.02443	10.1
109.06603	11.1
110.03746	1.4
111.00864	2.5
111.08139	3.0
113.02457	7.5
119.03522	1.3
119.08690	1.2
123.04543	2.1
123.08159	1.3
125.06098	1.2
125.09732	6.7
126.22856	1.1
127.11256	4.3
135.08125	2.8
137.09694	2.5
139.07692	3.0
139.11288	1.6
143.03490	1.9
145.05026	1.6
151.11308	1.4
153.12943	1.3
153.16685	1.1
155.03421	1.3
155.10800	2.7
158.30617	1.2
161.04533	3.4
163.11310	14.9
165.09242	1.5
165.12849	9.0
167.10625	1.4
169.12328	1.6
171.10263	79.1
172.10619	1.8
179.05518	1.7
179.10840	2.3
181.12347	8.1
185.11798	8.9
191.05553	2.2
191.14484	1.6
193.12328	2.1
193.65790	1.2
197.11838	14.7
198.12074	1.4
201.11324	37.9
202.11636	2.3
207.08328	2.2
207.10254	33.4
208.10550	2.5
209.11819	100.0
210.12166	5.5
211.13344	4.5
215.12840	3.9
225.11313	56.4
226.11755	3.1
227.12863	14.1
235.08270	7.9
243.12410	1.9
245.19196	5.5
247.20596	4.2
253.09262	27.4
254.09602	1.7
263.20218	1.4
284.52921	1.2
289.18088	12.4
291.19672	41.4
292.19876	4.0
300.02673	3.1
307.19113	10.3
309.20706	67.4
310.21030	6.2
407.19077	1.4
433.20874	1.3
443.19067	2.0
461.20056	9.2
479.21304	1.4
545.29968	2.2
609.14508	1.9
753.40466	7.5
771.41589	10.4
772.41406	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68825	0.1
61.98824	0.2
62.94447	0.1
69.86986	0.2
71.01338	0.1
78.95902	0.9
79.95736	3.3
88.98824	0.1
94.98093	0.1
96.96009	100.0
97.95939	0.3
134.06776	0.1
149.45007	0.1
174.38753	0.1
182.14978	0.1
191.05545	0.1
209.11873	0.1
237.65378	0.1
247.75911	0.1
300.02927	0.1
306.49655	0.1
457.31384	0.1
563.30432	0.1
653.29700	0.1
681.36682	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	771.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.8
59.01377	9.7
59.74533	0.8
61.98833	16.6
65.03957	1.6
67.01888	2.5
68.99815	14.9
69.00169	1.6
69.03450	1.2
71.01384	13.5
71.56362	1.2
72.99294	0.8
73.02952	1.6
78.95895	3.0
78.98585	0.8
79.95734	2.7
80.96519	5.7
81.03478	1.0
83.01382	1.1
85.02953	4.9
87.00861	2.5
88.98827	0.9
89.02427	4.8
91.05530	3.4
91.64504	0.8
93.03461	98.7
94.03790	2.8
94.98078	2.4
95.01373	1.4
96.96019	15.8
96.96955	2.9
97.60841	0.9
99.00871	1.4
99.04530	2.0
101.02467	6.7
106.04266	0.8
107.01366	0.9
107.05030	24.1
108.05402	0.9
109.02941	1.0
109.06597	1.1
111.00870	2.2
111.04482	1.7
113.02438	3.6
117.03458	2.0
119.03576	1.6
119.05029	23.7
120.99670	1.0
121.02949	2.9
123.00929	1.5
123.04496	2.0
125.02436	1.2
133.02957	1.8
134.03697	2.2
135.00885	1.0
135.04532	22.4
137.02454	42.3
137.06075	10.1
138.03189	1.2
145.02974	2.5
146.03748	1.0
147.04521	1.7
148.05324	1.1
149.02480	0.9
149.05968	1.3
150.03220	0.8
151.00352	1.3
151.03979	3.0
152.01198	0.8
153.05603	1.4
153.41455	0.7
159.04539	1.3
160.01620	1.4
161.02425	6.8
161.04536	3.3
161.05894	1.7
162.03133	1.0
163.04015	34.6
164.04399	1.8
164.98601	1.1
171.04445	0.9
173.02451	2.6
173.04509	4.8
174.03232	10.6
175.03957	1.5
177.01907	1.2
177.05595	1.3
178.02725	0.8
179.03435	2.7
179.06999	0.8
181.05066	15.5
186.03136	0.8
188.04741	2.3
191.03653	1.8
191.05606	18.4
191.07135	1.3
192.05928	1.5
193.04941	2.0
195.06575	1.3
202.02705	3.5
205.05034	2.4
206.02197	1.5
207.02995	100.0
208.03346	6.6
214.02754	1.4
217.05014	2.5
220.03697	1.3
223.06117	1.4
225.00677	2.2
229.05016	2.2
235.05989	2.0
237.05553	1.0
249.05559	1.0
250.35051	0.8
251.07126	1.0
253.09317	11.2
255.03004	1.1
257.08078	0.9
263.03476	1.4
264.04135	1.3
265.04858	1.1
267.02936	0.9
267.06668	1.1
271.02521	2.1
277.04724	0.9
277.07346	1.4
279.06567	2.3
281.04089	1.0
282.05307	2.4
287.22211	1.1
291.02945	0.9
293.04413	1.1
293.07623	1.0
294.05035	0.9
295.06061	2.7
295.09625	1.4
296.06662	1.6
297.07648	3.7
298.08533	1.0
300.02841	4.8
301.03101	1.7
308.03171	2.3
309.04132	1.1
309.07501	1.7
312.09882	1.5
313.10651	1.3
319.06070	1.9
322.04868	1.2
323.05576	3.7
324.06284	1.9
327.12335	1.4
335.05582	1.7
335.09503	0.9
336.06348	1.9
337.07068	4.6
338.07947	6.8
339.08521	4.2
343.10284	3.5
348.14493	0.9
350.07718	1.1
351.08688	2.5
352.09531	2.4
353.06537	3.4
353.10220	18.1
354.10800	2.6
356.08951	1.8
364.05750	1.2
365.48495	0.9
367.08011	1.0
368.09146	4.7
369.09448	1.6
371.11334	8.8
378.07074	1.0
379.07974	4.3
380.09644	1.0
383.11395	38.9
384.11957	4.5
387.09305	1.5
394.10406	3.2
395.07559	2.6
395.11768	1.4
398.10114	1.3
401.12115	1.2
410.10101	2.4
413.12555	4.4
425.12445	14.0
426.12592	1.7
443.13565	4.4
449.27368	1.4
455.13513	3.6
473.14557	3.7
474.15558	1.0
485.14859	6.6
503.15610	7.6
504.15714	0.9
527.15710	1.6
533.16473	2.8
545.16449	1.8
561.15997	1.5
563.17645	19.0
564.18042	2.8
609.14685	3.4
667.39014	1.2
693.22577	1.1
697.21436	11.5
698.21564	2.1
709.21436	16.4
710.21686	3.4
727.22278	5.8
738.61212	1.0
741.20166	2.1
753.19739	1.9
771.32343	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	769.402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95706	0.7
55.96243	0.8
57.03452	1.5
58.74520	0.8
59.01377	6.7
61.98826	2.6
65.16723	0.6
68.99556	1.2
69.03454	3.9
71.01397	6.8
71.05003	1.8
71.45423	1.5
73.02923	1.7
80.49916	0.7
81.03458	1.0
83.05029	1.0
85.02950	2.0
87.00877	1.6
89.02436	2.2
93.03425	0.8
95.01349	1.0
96.96007	7.3
97.02953	1.2
97.06558	1.4
101.02457	3.8
109.06585	1.6
111.00880	1.4
111.08154	3.7
112.98527	0.8
113.02437	2.3
119.03444	0.8
123.08147	1.8
125.09704	3.0
151.11307	1.9
153.12839	2.2
161.04532	1.1
161.09718	3.8
165.12886	1.1
169.12299	3.0
171.10248	3.4
179.10771	7.1
191.05638	1.6
197.11832	81.6
198.12199	3.6
199.13362	1.4
207.10268	2.5
209.11861	5.1
211.13362	2.5
223.09743	2.4
225.11320	2.2
227.12982	1.1
235.08133	0.9
241.10764	2.3
253.09143	3.8
289.18024	1.6
291.19586	4.6
307.19067	1.0
309.20575	5.3
387.26974	1.0
459.18796	1.1
477.20154	1.2
751.39166	1.2
769.40149	100.0
770.40546	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	769.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
57.03439	1.0
59.01384	5.1
61.98859	0.5
64.02789	0.5
66.52610	0.4
69.03457	4.1
70.59487	1.1
71.01381	5.3
71.05027	1.0
73.02966	1.1
73.95491	0.4
78.95940	0.4
81.03439	0.6
83.01419	0.5
83.04998	1.1
85.02943	0.9
87.00916	0.6
89.02454	1.9
89.59795	0.4
95.01405	0.6
96.96025	0.7
97.02944	1.2
97.06606	0.8
99.00898	1.0
101.02444	3.9
109.06593	0.7
111.04508	0.7
111.08168	4.2
113.02466	2.1
119.03519	0.5
123.08170	1.2
125.09724	1.8
137.09702	0.5
144.60268	0.5
145.19252	0.4
151.11261	2.6
153.12852	1.7
161.04631	1.1
161.09723	4.5
163.11331	0.5
169.12340	3.0
171.10210	2.1
175.30554	0.4
179.10796	6.4
181.12338	1.2
191.05614	0.9
193.12401	0.5
197.11833	74.3
198.12172	4.2
199.13412	1.6
207.10303	1.3
209.11838	2.4
211.13332	3.7
223.09749	1.2
225.11357	2.1
227.12984	0.5
235.08250	1.1
241.10777	1.8
253.09341	2.8
263.20166	1.2
291.19617	3.0
292.20065	0.5
295.22861	0.9
309.20731	5.8
438.19977	0.5
441.30600	0.7
459.18588	1.1
459.31204	10.2
460.31485	1.1
477.19751	1.5
738.68420	0.6
751.39484	0.6
767.11127	0.5
769.40167	100.0
770.40540	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	769.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.1
61.98837	1.2
70.39716	0.1
71.01383	0.1
78.95903	0.9
79.95742	3.6
94.98094	0.1
96.96014	100.0
97.95945	0.2
111.00830	0.1
127.18226	0.1
131.36835	0.1
191.05638	0.2
209.11911	0.2
225.11380	0.1
268.04526	0.1
378.35892	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01377	1.4
61.98832	54.7
62.98512	0.5
63.96231	1.3
69.03473	0.7
71.01385	8.6
72.99328	0.4
73.02966	2.3
78.91926	0.6
78.98602	6.5
79.95742	14.0
79.96207	0.8
80.96520	74.0
81.03471	1.0
82.92319	0.4
83.01382	0.5
83.05013	0.5
85.02954	3.8
87.00884	3.4
93.03461	1.2
94.98087	15.6
96.96024	7.1
97.02959	2.1
98.54829	0.4
99.00863	0.9
99.04520	0.6
101.02451	3.1
106.98100	3.2
113.02447	0.6
122.97586	3.5
125.02470	3.5
127.04010	1.1
134.97606	5.6
135.09070	0.4
136.99138	1.8
148.99138	6.2
152.98654	6.4
161.04527	1.1
163.11305	0.6
164.98622	14.8
167.00093	0.6
173.04547	0.9
191.05621	5.2
206.99713	4.0
209.11839	3.6
225.00748	26.6
226.01115	0.8
227.12837	0.6
484.74191	0.7
509.17120	3.3
541.19739	2.3
737.30072	0.5
751.28583	0.6
769.33246	100.0
770.33582	19.8
770.47986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19240	0.6
59.01409	0.9
61.98859	2.8
63.02438	1.1
64.09953	0.7
64.78938	0.6
65.00363	1.3
67.22148	0.6
70.87990	1.5
79.95772	0.8
80.96515	4.8
83.01424	1.0
85.02969	1.3
93.03464	4.3
94.98127	0.8
96.96012	4.1
99.04514	0.8
101.02498	1.1
107.01395	3.4
109.02987	0.9
110.11032	0.6
111.00877	0.9
117.03493	1.4
123.61375	0.6
125.02485	1.0
129.66754	0.6
132.02199	4.1
133.02974	2.0
134.03773	6.6
135.00941	1.6
135.04565	1.5
137.02484	0.7
140.55205	0.6
141.83105	0.6
143.05138	0.6
145.03064	1.0
151.00369	6.3
155.67773	0.6
157.06650	0.7
158.23929	0.6
159.04504	1.2
160.01659	10.5
161.02472	6.1
161.04575	0.6
163.00403	2.7
164.01180	1.1
164.98701	1.6
167.00195	0.9
169.06602	1.1
171.04568	1.1
173.04590	1.5
175.04016	8.2
176.04353	0.6
183.04538	2.0
185.06108	2.0
187.04004	2.8
189.05492	1.0
191.05617	9.1
191.07175	1.0
193.05061	2.4
197.05922	0.7
199.04028	1.2
200.04605	0.7
211.04039	3.2
212.04541	0.6
213.05630	1.9
225.00764	2.2
227.03505	43.7
228.03897	3.2
229.05070	8.4
239.03505	1.5
240.04263	0.8
241.05078	1.9
255.02989	83.1
256.03571	10.0
257.04565	7.6
267.03214	0.7
271.02576	0.9
283.02515	2.2
284.03268	100.0
285.04028	92.6
286.04330	5.5
299.02005	1.0
299.05521	2.5
300.02698	1.5
306.27161	0.7
314.04303	1.4
315.05118	1.5
327.05145	1.2
367.10162	0.7
447.09186	1.0
449.14755	1.1
450.14655	0.8
469.13553	9.9
470.13818	0.8
483.14951	2.7
575.14130	6.1
593.15118	46.2
594.15613	5.3
607.16748	3.6
740.02362	0.7
769.19275	54.3
770.20105	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	767.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.9
63.96250	2.0
64.11311	0.9
65.46774	0.9
67.31022	1.0
71.01395	9.8
73.02946	2.0
78.95898	1.9
78.98595	8.5
79.95744	13.0
80.96520	82.7
81.03458	1.1
82.96107	1.2
85.02943	2.3
87.00873	2.5
94.98099	16.2
97.02981	1.1
98.20609	3.2
101.02464	2.7
106.98096	3.8
112.06987	1.2
122.97593	5.0
125.02441	4.0
127.04003	1.5
134.97572	5.4
136.99121	1.7
148.99132	7.0
150.44012	0.9
152.98611	6.7
153.94293	1.0
155.21606	1.0
164.98637	11.4
183.39160	0.9
196.89462	2.3
197.11833	2.3
206.99672	2.3
225.00726	22.7
255.23286	2.2
279.23318	2.5
421.47388	1.2
511.18558	1.9
537.27618	1.2
767.42511	100.0
768.42908	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	768.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.1
59.52658	0.1
61.98829	100.0
62.12419	0.1
62.98534	0.2
65.87799	0.1
67.19684	0.1
71.01373	0.1
79.95741	0.2
80.96521	0.4
88.89654	0.1
94.98112	0.1
96.95998	0.8
101.02441	0.1
104.44241	0.1
109.57672	0.1
119.69408	0.1
191.05621	0.3
209.11906	0.1
209.27557	0.1
225.00867	0.2
236.99963	0.1
244.84166	0.1
310.20810	0.1
312.68622	0.1
342.59409	0.1
768.31665	0.4
769.32507	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93384	1.0
57.03441	1.7
59.01379	5.4
61.55515	1.0
61.98817	3.5
69.03452	6.6
71.01383	6.7
71.05019	1.2
71.10329	1.7
73.02964	1.0
81.03447	2.4
83.01373	2.9
83.05038	1.6
84.08640	1.0
85.02933	3.8
87.00870	2.4
89.02448	2.7
95.05026	1.9
96.96029	4.7
97.02962	1.9
97.06583	3.6
99.00878	1.9
101.02434	3.6
109.06554	2.3
113.02429	2.8
116.92870	5.2
123.08140	2.4
125.09731	5.7
137.09721	1.5
146.01001	1.1
151.11279	3.4
161.04509	1.6
161.09668	3.5
163.11287	4.4
171.10301	1.5
177.29816	1.0
179.10776	7.9
185.11784	3.2
191.05638	3.0
191.14392	3.5
197.11836	60.2
198.12140	3.7
207.10280	3.2
209.11856	10.1
211.13379	1.1
223.09642	3.0
225.11330	2.0
235.08356	1.7
241.10756	2.8
245.19101	3.7
253.09367	3.3
289.18164	7.4
307.19125	3.9
358.04483	1.2
362.61243	1.1
362.91602	1.1
459.18909	1.4
547.04230	1.1
595.80426	1.1
602.42810	1.1
651.29834	1.8
669.31622	5.0
670.30475	1.3
767.38574	100.0
768.38861	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	767.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14066	0.2
57.03440	0.6
57.48383	0.2
58.00581	0.7
58.48615	0.2
59.01381	13.9
60.01717	0.2
65.03960	0.3
69.03445	0.7
69.69106	1.2
71.01382	9.6
72.99319	0.7
73.02935	0.3
81.03465	2.0
83.01383	0.7
83.05022	3.4
85.02952	5.1
87.00865	0.8
89.02448	9.8
95.01382	0.7
97.02944	1.3
99.04522	0.5
101.02451	5.8
106.04274	0.3
107.05018	1.5
109.02959	3.7
111.04517	0.4
113.02451	4.0
119.03497	4.1
119.05007	0.7
121.02926	0.3
121.05813	0.4
121.06601	4.8
123.04526	3.0
125.06023	0.4
127.04016	3.9
131.03510	0.4
131.05020	1.0
134.03728	0.6
139.07661	0.4
141.05568	0.7
143.03453	0.5
149.06082	7.7
150.06453	0.3
161.04562	0.4
167.03471	1.8
167.07130	8.6
179.05632	1.0
185.08191	7.4
193.05034	1.9
199.99966	0.3
211.06158	1.4
229.07205	4.5
273.04230	0.2
391.12448	100.0
392.12805	8.4
528.38556	0.3
585.58057	0.3
620.84772	0.3
738.95984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79543	0.1
59.01367	0.2
60.99293	0.1
61.98828	1.6
67.01882	0.3
68.37914	0.1
69.43798	0.6
71.01379	0.5
73.09473	0.1
75.00871	0.2
78.91884	0.1
78.95900	0.8
79.63984	0.1
79.95737	3.4
85.02945	0.2
87.00872	0.4
89.02471	0.1
93.03456	1.9
94.03815	0.1
94.98085	0.1
96.96011	100.0
97.95950	0.3
99.00887	0.1
106.81886	0.1
109.02933	0.1
109.06655	0.1
111.04516	0.3
125.09705	0.1
133.02946	0.2
134.03711	0.3
135.04506	0.7
151.03975	0.2
161.02533	0.1
173.04543	1.1
178.02750	0.1
179.03555	0.2
191.05614	1.5
192.06090	0.1
197.11818	0.1
199.09851	0.1
207.10341	0.2
209.11838	0.3
223.13426	0.1
247.76717	0.1
253.09381	0.1
308.09164	0.1
352.07922	0.1
378.15134	0.1
449.14484	1.6
450.15158	0.2
459.43713	0.1
465.13840	0.2
749.37976	0.1
767.30988	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01376	2.5
61.98831	22.9
62.01206	0.2
62.53774	0.2
65.12589	0.2
67.01890	3.2
71.01376	0.7
71.54684	0.2
73.02941	0.3
74.71719	0.2
79.95787	0.3
80.96536	0.2
83.01403	0.3
85.02961	0.9
87.00880	5.5
88.98800	0.5
89.02422	0.2
93.03460	0.6
96.96019	3.2
98.95567	0.2
99.00877	0.2
100.03973	0.2
101.02441	0.3
111.00883	100.0
112.01225	2.6
113.02442	0.4
118.84442	0.2
125.02450	0.2
133.02982	0.2
155.00069	0.2
161.02457	0.4
161.04591	0.2
173.00914	14.4
174.01236	0.6
191.05635	2.8
209.11836	0.5
309.20871	0.3
333.28497	0.2
360.30603	0.2
489.34314	2.3
490.35300	0.3
503.33829	1.0
504.33990	0.4
507.35605	0.6
516.29346	0.2
549.36536	1.6
550.36792	0.3
677.35583	0.4
681.37354	0.3
723.38062	0.4
767.36859	1.5
768.37799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59425	0.5
59.01385	1.0
63.96254	2.4
64.08542	0.4
69.45954	2.9
71.01387	7.8
73.02959	2.2
78.98591	6.8
79.95739	16.8
80.96516	87.9
81.03461	1.1
81.64748	0.4
83.01305	0.5
87.00878	3.5
94.98092	19.8
96.96009	1.7
97.02955	1.7
99.00885	1.1
101.02448	2.6
106.98128	3.0
115.35445	0.5
122.97579	4.3
125.02466	2.9
127.04003	0.6
134.97589	4.7
136.99092	1.2
148.99147	6.5
152.98633	6.9
164.98631	15.5
191.19444	0.5
206.99660	3.6
209.11852	1.5
225.00737	25.6
226.01079	1.2
255.23366	2.2
279.63544	0.5
283.04968	0.7
509.17114	3.3
510.17474	0.5
537.27411	1.3
765.40918	100.0
766.41235	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	766.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
61.98830	100.0
62.98543	0.2
66.80447	0.1
69.39687	0.4
69.40114	0.3
84.59872	0.1
85.02953	0.1
87.00887	0.1
88.98845	0.1
93.03461	0.2
93.45352	0.1
96.96016	0.5
99.46175	0.1
105.33459	0.1
147.76086	0.1
155.85255	0.1
169.55525	0.1
171.26341	0.1
173.04553	0.2
191.05650	0.3
197.11783	0.1
209.11891	0.4
214.30913	0.1
225.11229	0.1
237.38043	0.1
266.06842	0.1
291.19910	0.1
309.20673	0.2
392.79831	0.1
397.13577	0.1
454.01093	0.1
520.58246	0.1
659.73853	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	765.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
61.98829	5.2
70.85777	0.8
71.01384	2.6
73.02946	0.4
74.01515	0.3
80.02687	1.0
81.03452	1.0
83.01374	0.5
83.05021	3.6
85.02946	0.8
87.00864	0.8
88.98819	0.9
89.02464	0.7
95.05047	0.7
96.96004	1.7
97.06569	0.4
101.02430	1.3
103.93731	0.4
111.00887	11.8
112.01133	0.4
113.02441	1.6
116.92812	0.7
135.04533	0.5
154.18956	0.4
161.02461	0.4
161.04501	0.6
163.11299	2.7
165.12808	1.9
171.10287	0.7
173.00899	1.6
179.05524	0.4
191.05595	1.3
191.10776	0.6
209.11819	100.0
210.12164	6.5
227.12881	14.9
228.13280	1.1
235.08313	1.7
247.13193	0.6
253.09242	4.0
315.02689	0.3
432.41144	0.4
445.20694	3.9
446.21121	0.7
637.32214	0.8
655.33862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
60.99306	16.7
87.00876	1.2
88.00407	2.6
88.01217	0.5
88.98806	100.0
89.02442	12.4
89.99154	1.0
98.19853	0.8
111.00896	0.5
126.29780	0.4
135.22688	0.3
156.71527	0.4
277.21722	0.7
351.47668	0.4
397.13626	1.4
398.14099	0.4
415.14545	0.4
481.95316	0.4
781.61707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
59.97610	0.3
62.28113	0.3
63.96231	1.3
64.97006	0.4
69.03449	1.0
69.41163	2.7
71.01386	7.2
73.02951	2.0
74.36010	0.3
78.98592	5.5
79.95738	10.2
80.96519	65.2
81.03451	0.6
83.01424	0.5
83.60650	0.4
85.02944	2.6
87.00869	2.7
94.98090	14.8
96.96007	0.9
97.02950	1.3
101.02442	2.0
106.98095	3.0
109.06640	0.4
122.97597	3.2
125.02461	2.7
127.03998	0.8
134.97597	4.1
136.99120	1.3
137.74336	0.4
146.97632	0.4
148.99153	5.3
152.98647	4.9
164.98634	11.4
178.70712	0.4
185.27585	0.3
185.92584	0.3
188.98610	0.4
206.39247	0.4
206.99651	2.8
207.10291	0.6
225.00732	18.8
226.00964	0.7
255.23300	1.4
264.50946	0.3
283.04968	0.5
507.15244	2.5
533.99182	0.3
537.27332	1.1
756.06769	0.3
763.39417	100.0
764.39771	23.7
786.38586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49649	0.1
59.18932	0.1
61.98828	100.0
62.98537	0.1
63.96203	0.1
69.44449	0.7
71.01378	0.5
78.98607	0.4
79.95719	0.8
80.96516	4.7
87.00883	0.2
94.98089	1.1
97.03008	0.1
106.98083	0.2
122.97585	0.3
125.02449	0.2
127.61265	0.1
134.97572	0.4
136.99159	0.1
148.99135	0.5
152.98615	0.5
164.98631	0.9
206.99713	0.2
209.11894	0.3
210.12254	0.2
225.00743	1.9
255.23312	0.5
256.23639	0.3
422.54736	0.1
509.16962	0.4
520.80432	0.1
537.27118	0.1
764.40265	0.4
765.40869	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	763.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70192	0.8
59.01382	12.7
61.98838	4.8
71.01376	5.1
71.55910	1.5
72.99312	1.0
80.02689	1.5
81.03474	3.6
83.05024	8.6
84.02195	1.3
85.02962	2.1
87.00895	1.2
88.98814	3.8
89.02454	3.2
93.03458	2.7
95.05055	1.6
96.96008	10.0
97.02954	3.4
99.00925	1.0
101.02454	5.3
109.06592	22.7
110.03745	0.9
111.00893	2.7
111.04532	0.9
113.02473	2.6
121.06633	1.0
125.09747	1.4
135.08179	3.4
136.05258	1.1
142.02731	1.2
161.04533	2.9
163.11304	16.8
165.12830	2.8
171.10272	2.2
181.12349	3.6
185.11832	2.8
189.09230	1.8
191.05640	3.4
191.10812	1.3
207.10268	53.4
208.10608	2.5
209.11830	100.0
210.12204	5.2
211.13376	1.0
225.11327	26.5
225.13565	1.4
226.11699	0.9
227.12909	13.1
235.08182	2.7
247.13414	1.7
249.11270	1.0
253.09276	9.1
256.99762	1.7
281.13766	1.1
299.14935	1.3
395.13751	1.5
399.21701	3.9
417.22714	4.5
443.19119	3.3
445.20599	2.7
461.20236	7.5
462.20526	1.1
609.29407	1.3
625.18262	3.4
635.30792	21.9
636.31097	2.8
653.31805	20.1
653.41083	0.6
654.32312	3.9
671.32819	29.9
672.32947	4.9
763.32428	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35615	0.2
59.01374	0.3
60.18995	0.2
60.99306	16.8
69.23052	1.5
71.01384	0.3
78.64168	0.1
85.02943	0.2
87.00850	0.7
88.00408	0.9
88.98805	100.0
89.02438	3.4
89.78060	0.1
89.99161	1.1
93.03474	0.2
101.02486	0.2
111.00865	0.4
161.04507	0.2
173.04578	0.2
190.84888	0.1
191.05598	1.0
191.07121	0.2
209.11824	4.0
210.12120	0.4
211.13397	0.2
225.11147	0.2
227.12921	0.7
237.05771	0.2
253.09219	0.4
285.40094	0.2
342.04431	0.2
747.56799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
57.03477	0.4
59.01387	6.7
67.01891	6.9
68.42330	0.4
68.99820	17.7
69.03467	0.8
70.56335	0.6
70.56671	0.8
71.01387	46.6
71.05022	0.7
72.01729	0.7
72.99341	0.3
73.02943	0.4
75.00875	0.8
81.03456	5.0
83.01405	1.0
83.05041	0.7
84.02171	0.6
85.02959	3.9
85.49819	0.4
87.00922	0.4
89.02444	4.6
93.03452	2.3
95.01414	1.1
95.05036	0.5
95.88876	0.3
97.02982	1.3
99.04532	6.0
101.02451	50.2
102.02792	0.8
107.05039	2.0
109.02954	4.2
111.00865	2.2
111.04533	3.0
112.01654	0.4
113.02464	4.2
117.03471	1.2
119.03539	2.1
119.05045	1.4
121.02975	6.7
123.00918	0.6
123.04498	2.5
125.02460	2.9
125.06064	0.7
127.04025	31.8
128.04359	1.2
133.02953	1.6
133.06546	0.9
135.04546	2.1
137.02457	1.0
137.06107	0.6
139.04030	23.8
140.04405	0.6
142.02727	0.7
143.03542	1.0
145.02963	1.7
147.04543	0.9
151.04002	1.6
153.05568	5.1
155.03508	0.9
161.02481	7.3
163.04042	1.6
165.01985	0.9
165.05553	1.3
167.03569	0.5
173.02469	0.9
177.05623	2.2
179.03535	0.8
179.05595	1.3
179.07121	1.1
181.05026	0.4
191.03513	6.7
191.05620	2.5
193.05060	4.9
193.08688	2.1
194.05348	0.4
195.06642	1.1
197.04521	1.2
197.08203	32.1
198.08522	1.6
202.16394	0.4
205.05032	1.7
209.04581	1.7
211.06097	0.7
223.06134	4.6
239.09323	1.1
241.07185	100.0
242.07516	5.6
268.34189	0.4
305.96960	0.4
359.13477	21.1
360.13745	1.7
371.09952	0.8
403.12289	14.1
404.12781	1.0
655.02283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87834	0.1
61.98831	100.0
71.03893	0.1
80.96535	0.6
148.99185	0.1
157.26851	0.1
170.83524	0.1
215.38968	0.1
225.00739	0.3
253.21771	0.1
433.55939	0.1
530.30353	0.2
625.41626	0.1
763.39459	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27161	1.2
58.00610	1.2
59.01379	35.7
65.03957	1.9
67.01894	1.5
68.99813	2.7
69.20995	1.1
71.01376	31.2
72.99311	3.1
73.02955	1.6
73.67113	1.1
81.03452	1.5
82.11788	1.3
83.01402	1.8
85.02966	6.5
87.00889	2.8
89.02444	24.7
89.71925	1.1
91.05540	4.3
92.46505	1.1
93.03457	89.0
94.03821	2.7
95.01403	3.8
95.05022	1.1
96.96007	1.5
98.44553	1.2
99.00877	1.4
101.02445	19.8
107.05000	7.4
109.02938	1.5
111.04531	3.2
113.02441	11.2
117.03474	1.4
119.03568	8.4
119.05023	25.4
121.02972	3.0
123.04552	1.6
127.03971	1.7
133.06567	2.0
135.04524	8.6
137.02449	29.2
137.06075	26.3
140.01788	1.2
149.06143	1.4
151.04007	3.5
152.04733	1.3
153.05554	1.2
161.02441	9.6
161.04533	3.0
161.05991	2.4
163.04013	24.6
177.05608	2.4
179.03600	6.0
179.05579	6.3
179.07135	3.4
181.05057	58.5
182.05342	3.0
183.60812	1.3
191.05617	1.5
195.06625	4.0
197.04507	1.8
205.05045	22.7
207.02998	6.1
223.06094	13.8
235.06152	2.3
241.07182	3.0
283.08127	1.8
285.10352	1.3
343.10303	81.0
344.10654	6.0
352.19601	1.3
359.09579	2.0
372.08948	1.5
387.09290	100.0
388.09579	8.4
391.12393	2.8
432.37180	1.3
574.53394	1.2
645.70471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13492	0.2
59.01382	0.7
59.90200	0.2
60.99312	17.2
61.98819	0.3
71.01384	0.6
75.00879	0.2
79.95757	0.4
80.96503	0.2
87.00876	0.7
88.00414	1.3
88.98814	100.0
89.02444	4.9
89.99150	0.6
93.03465	0.4
96.52681	0.2
96.96021	10.6
99.04564	0.2
108.76015	0.2
109.06599	0.2
111.00893	0.3
135.04538	0.3
160.47717	0.2
161.04544	0.2
171.10258	0.3
173.04631	0.3
191.05646	1.2
201.11308	0.3
207.10280	0.6
209.11859	1.5
211.13376	0.3
225.11220	0.3
227.12886	0.2
239.10028	0.2
241.00345	0.2
253.09392	0.3
289.61133	0.2
359.58255	0.2
476.98718	0.2
503.34286	0.3
509.22119	0.3
509.72461	0.3
535.02307	0.2
653.31549	0.4
671.32489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11874	0.2
61.98830	100.0
62.98530	0.3
69.83190	0.8
71.01396	0.4
79.95745	0.5
80.96515	3.0
80.96958	0.3
85.02975	0.2
86.96371	0.1
87.00888	0.2
94.98094	0.7
103.40067	0.2
122.97615	0.1
134.97562	0.2
148.80417	0.1
148.99161	0.3
152.98659	0.2
156.20511	0.2
160.69769	0.1
164.98621	0.5
175.27986	0.1
206.99557	0.1
211.93137	0.1
225.00732	1.0
227.75708	0.1
283.26321	0.2
597.08087	0.2
763.39307	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	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
58.00564	0.3
59.01382	4.1
61.98832	2.7
66.71790	0.2
69.03477	0.3
70.56875	0.3
70.77264	0.5
70.77598	0.4
71.01375	3.1
72.90867	0.3
73.02952	1.1
75.34879	0.3
78.95925	0.3
80.02673	0.9
81.03032	0.3
81.03445	1.4
82.87637	0.3
83.01379	0.5
83.05025	4.7
84.02179	0.6
85.02948	1.0
87.00881	0.5
89.02457	2.2
95.01392	0.4
95.05042	0.6
96.96032	0.6
97.06596	0.4
99.08155	1.3
101.02444	3.2
111.00902	1.6
111.08169	0.7
113.02450	1.8
113.09747	1.3
114.40702	0.3
119.03519	0.4
123.08131	0.5
125.06074	0.4
125.09721	0.6
127.07742	0.3
129.09232	1.6
135.08113	0.4
139.11343	0.8
141.09244	0.3
145.05063	0.4
151.11282	0.7
153.09256	0.3
153.12880	0.4
161.04565	1.5
163.11276	4.1
165.12817	2.4
166.13161	0.3
167.10799	0.3
167.14326	0.4
169.12335	1.6
171.10268	4.4
179.05600	0.5
181.12314	2.3
183.13889	1.2
191.05656	0.5
191.10837	0.7
193.12312	1.8
195.13904	0.5
197.11830	4.5
199.13368	2.2
209.11827	100.0
210.12161	6.1
211.13412	9.4
212.13704	0.8
225.11345	0.9
227.11139	0.2
227.12897	10.4
228.13298	1.0
235.08275	2.5
253.09288	13.8
254.09723	0.6
275.20239	0.8
293.21240	10.5
294.21558	1.3
295.22855	1.4
309.20700	0.3
310.20993	0.4
311.22278	64.8
312.22626	7.0
312.26056	0.6
375.07074	0.3
445.20660	1.5
463.22122	0.3
503.33911	1.3
547.31244	2.0
757.42548	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
58.00601	0.4
59.01382	4.9
61.98832	2.3
69.03434	0.5
71.01385	4.0
72.99294	0.4
73.02956	0.8
75.00871	0.5
78.95905	0.5
80.02671	1.5
81.03455	0.7
82.95387	0.4
83.01377	0.7
83.05027	4.2
83.35123	0.4
84.02175	0.6
85.02956	0.7
87.00861	0.4
89.02457	2.9
89.15208	0.4
92.76640	0.4
95.01397	0.6
96.96000	0.8
97.02943	0.6
97.06561	0.5
99.08145	1.7
101.02447	3.3
102.44975	0.4
109.06605	0.5
111.08148	0.8
113.02436	1.8
113.09698	1.9
117.01839	0.4
119.03486	0.6
125.09666	0.4
129.09241	3.4
135.08224	0.5
139.11322	0.7
144.42751	0.4
151.11256	0.9
161.04576	1.8
163.11298	3.9
165.12822	2.6
167.10794	0.5
169.12321	2.2
171.10277	3.2
179.05652	0.6
180.21828	0.4
181.12360	3.4
183.13892	1.5
191.05624	1.0
191.10785	0.8
193.12334	1.4
195.13902	0.9
197.10208	0.6
197.11856	6.4
199.13411	3.4
207.10175	0.4
209.11830	100.0
210.12164	7.3
211.13411	12.6
212.13698	0.5
225.11386	1.3
227.12894	13.2
228.13266	1.0
235.08229	3.1
253.09285	18.6
254.09587	1.1
265.21585	0.6
270.02487	0.4
275.20096	1.0
291.19629	0.5
293.21259	9.4
294.21634	1.5
295.22653	2.6
311.22290	84.5
312.22641	8.7
329.23300	0.4
445.20493	1.0
503.33911	2.0
521.35059	0.6
547.31384	2.5
647.86548	0.4
757.43231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
57.98806	0.8
59.01379	7.4
61.98817	3.4
71.01009	1.2
71.01388	18.1
72.15977	0.7
75.52774	0.7
78.37920	0.8
79.95753	1.0
80.02655	1.6
81.03465	2.0
82.95415	6.6
83.05029	6.0
84.02158	0.9
84.95114	5.0
85.02940	2.2
87.00880	1.5
89.02429	2.5
90.24226	0.7
93.03465	2.2
95.01405	0.8
96.96018	17.6
97.02965	1.7
99.00883	1.6
99.04512	1.9
100.72064	0.8
101.02458	5.5
109.02951	0.7
109.06602	14.7
111.00902	1.3
113.02447	2.1
121.06602	0.8
123.04536	1.4
125.09703	1.2
133.02887	0.8
135.04512	0.8
135.08125	2.7
136.19269	1.0
145.05054	1.1
151.98495	0.9
161.04568	3.0
161.09700	1.4
163.11304	10.2
165.12836	2.5
171.10294	3.8
172.47935	0.8
173.04378	0.7
179.05702	0.9
181.12305	3.1
185.11801	2.1
187.09686	0.9
189.09195	1.3
191.05635	3.8
191.10658	1.0
199.09773	1.5
201.11285	1.6
207.10262	49.2
208.10544	3.6
209.11829	100.0
210.12172	7.0
225.11340	30.5
226.11726	2.0
227.03510	0.9
227.12901	18.2
228.13182	1.1
229.03745	0.8
235.08211	4.7
253.09305	14.2
273.17264	1.0
399.22012	4.2
410.46442	1.0
417.22833	3.6
425.38559	1.0
443.19080	3.4
445.20691	1.9
461.20300	12.6
462.20743	1.9
479.21368	1.0
635.30817	6.8
636.30420	0.9
653.31976	9.6
654.32208	1.0
671.32751	16.6
672.33246	4.9
689.33832	2.2
704.36316	2.4
757.34393	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2708
Annotation	Rhusemialin B
Peak:m/z	Relative Intensity
53.11576	0.6
57.03436	1.5
58.00610	0.6
59.01378	8.1
60.39397	0.6
61.59340	0.8
61.98832	1.3
64.61557	0.6
69.81075	3.3
71.01388	6.7
72.99315	0.8
73.02969	0.6
75.54416	0.7
80.96520	0.8
85.02960	3.5
86.75322	0.6
87.00890	2.0
88.98818	1.4
89.02452	2.7
89.03989	1.5
93.03471	2.7
95.01411	0.8
96.82855	0.6
96.95989	3.7
99.04533	1.5
99.77975	0.7
101.02446	3.7
109.03001	1.4
111.00855	0.8
113.02462	2.7
117.03480	4.2
119.03520	1.1
119.05032	1.2
121.02977	1.2
132.02176	33.0
133.03009	4.5
134.03749	60.1
135.04633	4.2
136.01732	0.8
137.02414	4.5
139.04059	0.9
145.02959	1.2
147.04559	3.7
148.05244	1.1
149.02391	0.7
149.06076	8.7
150.03285	0.9
151.04001	2.2
154.99876	0.7
155.03517	0.9
158.03857	0.8
160.01662	100.0
161.02406	8.2
161.04584	1.8
162.02979	0.8
163.03990	1.5
164.04741	0.9
173.04564	2.5
173.06128	1.9
174.03174	1.5
175.03999	97.8
176.04666	10.3
177.01918	1.5
177.05614	1.5
178.02702	4.6
179.03467	2.9
179.05634	0.8
180.04189	0.7
187.04008	1.7
188.04836	0.7
189.05522	0.9
190.02695	2.0
190.06322	1.5
191.05583	9.3
191.07164	12.3
192.04346	1.0
192.07507	1.2
193.05051	53.4
194.05382	3.1
202.06297	0.9
203.07121	1.5
205.05017	3.2
205.08714	1.3
206.05849	0.9
207.06627	5.2
209.11845	0.7
217.05051	1.0
219.06645	1.5
220.03726	1.2
220.07390	1.8
221.04416	0.9
221.08157	1.4
223.06102	1.4
233.08415	0.7
235.06107	31.4
235.09688	1.3
236.06375	2.4
265.07153	12.2
281.06650	0.9
288.97913	0.7
295.08231	15.2
296.08640	0.9
341.10068	1.9
353.08731	1.0
355.10327	4.7
371.14978	1.4
387.14328	1.8
401.16092	7.8
402.16458	1.1
417.15677	0.7
498.01895	0.6
549.19861	2.4
563.21594	1.0
757.27026	60.8
758.27441	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	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03446	0.4
58.00592	0.3
58.73289	0.2
59.01377	5.3
61.98830	0.8
63.51243	0.2
69.03444	0.6
71.01386	3.0
73.02943	0.8
80.02683	1.0
81.03448	1.3
83.01381	0.9
83.05025	4.6
84.02158	0.7
85.02946	0.9
87.00896	0.7
89.02444	2.1
93.03455	0.3
95.01307	0.3
95.05020	1.0
96.96002	0.8
97.02939	0.7
97.06583	0.6
101.02444	2.8
107.05083	0.3
109.06589	0.9
111.08160	6.0
113.02464	1.9
119.03498	0.7
125.02428	0.3
125.06049	0.4
125.09683	0.4
127.07626	0.4
135.08159	0.6
137.09673	0.3
139.07700	0.3
143.03549	0.4
147.11836	0.3
151.11308	0.3
153.12785	0.4
161.04579	2.1
163.11292	3.0
165.12839	2.4
167.10777	0.4
169.12378	2.3
171.10252	1.3
179.05667	0.5
179.10846	0.3
181.12424	1.3
182.41750	0.3
183.13806	0.6
191.05646	0.4
191.10771	0.8
197.11830	29.8
198.12175	1.8
199.13380	2.1
207.10161	0.5
209.11823	100.0
210.10294	0.5
210.12170	6.5
211.13396	4.7
212.13753	0.4
225.11299	0.6
227.12886	13.4
228.13170	0.8
235.08180	2.8
247.20683	0.5
253.09273	16.4
254.09619	0.6
263.20175	1.7
265.18048	0.5
273.18619	0.7
291.19669	15.1
292.20020	1.2
295.15903	0.3
309.20709	46.5
310.21100	4.8
445.20703	1.4
445.29620	2.9
446.29898	0.5
501.31992	0.5
527.28369	0.4
545.29565	1.2
677.91199	0.3
735.66626	0.3
737.41168	0.4
752.69800	0.3
755.42078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37096	0.3
57.03441	0.5
58.00589	0.4
59.01375	4.7
61.98802	0.4
66.82915	0.3
69.03454	0.8
70.79832	0.6
70.80169	0.4
71.01389	3.5
73.02952	0.7
80.02684	0.8
81.03464	1.2
83.01407	0.5
83.05022	4.4
84.02174	0.7
85.02971	1.0
87.00883	0.7
88.14087	0.3
89.02452	2.2
95.01392	0.3
95.05027	0.8
95.44324	0.3
96.96023	1.0
97.02960	2.3
97.06580	0.6
101.02454	3.1
109.06595	0.8
110.05565	0.3
111.08154	3.8
113.02469	1.7
119.03488	0.6
123.08161	0.4
125.02415	0.3
125.06084	0.7
125.09728	0.7
135.08163	0.9
137.09706	0.8
143.03500	0.4
145.05116	0.5
151.23059	0.4
153.12836	0.7
161.04561	2.0
163.11284	4.1
164.11621	0.3
165.12828	4.4
169.12302	1.7
171.10289	2.5
179.05608	0.6
181.12354	1.3
181.43025	0.3
183.13956	0.6
191.10771	0.7
193.12296	0.6
193.15965	0.4
197.11832	18.8
198.12178	1.3
199.13458	1.2
201.29756	0.3
207.10263	0.9
209.11821	100.0
210.12157	6.0
211.13391	4.2
223.13120	0.4
225.11305	0.8
226.11754	0.4
227.12891	14.3
228.13275	1.0
235.08218	2.9
247.20656	1.6
249.14943	0.3
253.09276	14.5
254.09679	0.9
259.77234	0.4
263.20169	1.0
273.18597	0.9
291.19656	21.2
292.20044	2.2
293.21225	0.9
309.20706	51.9
310.21085	4.6
318.00583	0.3
433.21036	0.4
443.27505	0.4
445.20798	1.0
445.29532	4.5
446.30139	0.4
519.33301	0.4
527.28363	0.5
545.29865	1.3
755.42157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72846	0.1
57.15613	0.1
59.01384	0.7
61.72180	0.1
61.98579	0.1
61.98839	1.4
63.99260	0.1
65.08352	0.1
71.01382	0.3
78.95902	0.7
79.95739	3.1
80.96517	0.2
81.03465	0.1
83.05036	0.2
87.00879	0.2
88.98770	0.1
89.02438	0.1
93.03453	0.2
96.96015	100.0
97.95948	0.4
101.02435	0.2
109.06642	0.1
113.02400	0.2
113.81954	0.1
125.98666	0.1
133.26099	0.1
135.04407	0.1
135.08174	0.1
161.02501	0.2
161.04576	0.1
163.11316	0.1
165.12866	0.1
173.04492	0.1
181.12437	0.1
191.05577	0.4
197.11807	0.5
207.10307	0.1
209.11842	3.6
210.12209	0.4
211.13385	0.2
213.33249	0.1
225.00827	0.1
225.11485	0.2
227.12915	0.7
253.09293	0.6
255.03214	0.1
255.05875	0.1
291.19617	0.6
309.20709	1.4
310.21045	0.1
323.50598	0.1
498.37360	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01381	14.3
60.08856	0.6
61.98823	1.1
69.03446	1.4
70.67219	1.9
71.01388	20.7
71.05017	0.8
73.02947	2.9
78.95888	1.4
80.02673	1.6
81.03452	2.4
83.01382	2.8
83.05025	7.4
84.02177	1.0
85.02954	3.0
87.00885	2.5
89.02429	4.4
95.01325	1.0
95.05000	2.6
96.96019	1.4
97.02950	3.5
97.06577	1.3
99.00877	1.2
101.02439	8.9
107.46493	0.6
109.06597	12.3
110.03725	1.0
111.00887	1.1
111.08144	2.4
112.06591	0.7
113.02399	3.3
113.09724	0.7
114.02873	0.8
119.03486	1.3
121.06613	1.5
121.10215	0.8
123.04538	1.6
123.08154	1.3
125.02454	0.8
125.09725	2.9
127.11308	1.8
135.08168	2.4
139.11238	2.1
141.01691	0.9
141.09203	1.0
143.03494	1.3
143.71442	0.8
145.05090	0.9
153.12920	0.8
155.03586	0.9
155.10805	0.7
161.04539	3.6
161.09689	1.3
163.11298	13.8
165.09122	0.8
165.12845	5.2
167.10765	1.6
169.12369	1.1
171.10271	30.1
172.10591	0.8
179.10803	1.8
181.12335	3.9
185.11815	2.5
189.09189	1.9
191.05658	0.9
191.10779	0.9
193.12373	1.2
195.13855	3.5
196.53065	0.7
197.11845	4.2
199.09792	1.1
199.13368	1.5
201.11334	11.4
205.36099	0.7
207.10265	35.6
208.10658	1.5
209.11832	100.0
210.12199	8.5
211.13370	3.0
215.13007	0.8
223.13475	1.8
225.11317	26.1
226.11604	1.5
227.12924	10.6
228.13190	0.9
235.08206	5.5
243.12221	1.7
247.20656	2.7
253.09270	22.3
254.09586	1.4
265.21719	2.3
273.18732	1.1
275.20190	7.0
291.19672	37.2
292.19873	3.3
293.21240	47.0
294.21411	3.9
295.10321	0.9
295.22763	3.0
307.19125	1.6
308.19489	0.9
309.20737	28.5
310.21011	2.5
311.22308	29.4
312.22592	2.0
329.21307	1.1
385.24286	0.7
443.18994	1.7
461.20483	5.9
501.32449	1.3
545.29462	1.9
547.30884	1.1
637.32300	1.1
737.40857	4.6
755.42279	15.6
756.42987	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03444	4.2
59.01379	6.1
61.98828	3.1
62.65475	0.5
63.24081	0.5
63.96229	1.6
68.99828	0.6
69.03448	1.0
70.45301	2.0
71.01381	9.5
72.58006	0.5
72.94743	0.5
73.02934	2.5
75.00878	0.6
78.98587	6.3
79.95731	14.2
80.96516	71.7
81.03452	1.1
82.51353	0.5
83.01381	0.9
85.02943	5.3
87.00871	3.6
89.02460	1.8
93.03455	6.0
94.98087	17.1
96.96012	8.0
97.02954	1.8
98.95581	0.7
99.00911	0.7
99.04515	6.5
101.02450	5.5
106.98094	2.5
109.02983	0.8
111.00877	0.8
111.04514	1.4
113.02460	1.8
122.97569	3.3
125.02446	3.6
127.04005	1.6
133.02946	1.1
134.03697	0.5
134.97588	5.6
135.04535	4.1
136.99133	1.8
137.02451	2.3
148.99118	6.2
152.98636	6.9
155.03497	2.9
161.02481	4.0
161.04559	10.9
164.98618	12.7
173.04559	10.3
173.06021	0.9
174.21494	0.6
175.04063	0.9
176.10399	0.5
177.01912	0.7
179.03462	2.0
179.05653	0.9
187.07626	5.1
191.05609	27.1
192.05954	2.9
193.06047	0.6
201.11349	2.0
202.06375	1.0
206.99660	3.0
209.11777	3.3
213.09204	1.6
215.07106	1.7
225.00735	25.1
226.01114	1.4
227.03584	0.9
228.04117	0.5
229.01392	0.5
231.10242	2.2
233.06525	1.1
255.02818	1.2
257.08273	2.0
271.02496	1.2
275.09204	2.6
283.04788	0.7
284.03278	0.7
285.03986	1.7
300.02670	1.5
301.03729	0.7
335.07150	0.6
335.10086	1.0
353.08557	2.5
395.09964	0.7
431.13528	2.1
449.14557	4.5
483.15356	1.9
490.56351	0.6
491.15878	0.8
497.12927	4.9
498.13184	0.7
509.16766	2.7
527.17975	1.0
593.18829	7.8
594.18829	1.4
615.31830	0.6
711.28992	4.3
712.29962	0.9
723.91187	0.6
737.30762	0.6
755.31573	100.0
756.20032	0.8
756.31909	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	755.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
62.67074	0.4
63.02415	0.8
65.00327	0.5
83.01399	0.9
85.02959	1.8
87.00874	0.7
93.03458	2.8
96.96011	2.5
107.01413	1.3
109.02937	0.5
117.03459	0.4
127.03992	0.6
133.02950	2.5
135.00874	0.8
135.04523	1.8
137.02425	0.9
145.02945	0.5
151.00377	2.2
153.01949	0.4
155.05115	0.4
159.08922	0.4
161.02429	1.9
163.00360	0.9
169.06566	0.8
171.04463	0.5
173.04549	1.4
177.01894	0.5
178.99786	0.5
179.03435	1.0
183.04517	1.6
185.06035	1.4
187.03975	1.9
189.05608	0.4
191.05598	30.6
192.05963	1.5
197.06068	0.5
201.05551	0.7
211.03966	2.0
213.05510	1.0
227.03484	12.2
228.03958	0.8
229.04996	3.0
239.03416	0.6
240.04176	0.7
241.04994	0.9
243.03015	0.7
243.37735	0.4
255.02969	37.3
256.03452	4.0
257.04501	2.6
269.04465	0.5
281.04434	0.5
283.02466	48.2
284.03207	31.7
284.06512	0.8
285.04022	84.1
286.04410	7.2
297.03925	1.1
299.05453	0.6
327.05103	2.0
342.63477	0.4
351.07388	1.0
353.08688	3.4
354.09152	0.5
431.03470	0.4
446.08658	3.1
447.09256	1.7
493.71082	0.5
508.60764	0.4
593.15076	100.0
594.15424	13.9
594.24908	0.8
635.15363	0.6
755.20282	10.0
756.20947	2.4
789.97522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
61.93615	0.5
65.00345	0.6
71.54455	0.5
72.74768	0.5
83.01379	0.9
84.34219	0.4
85.02957	5.4
87.00890	1.4
93.03471	5.1
96.96019	3.0
105.03447	0.7
107.01378	1.2
109.02966	2.0
111.04482	0.8
117.03477	1.0
120.99626	0.6
121.02989	0.5
123.04528	0.7
127.04018	1.5
132.04515	0.4
133.02960	7.8
135.04538	2.3
137.02434	0.8
145.02989	0.5
149.02498	0.5
151.00378	2.6
159.04527	0.5
161.02428	2.0
163.00371	0.5
171.03076	0.5
173.04543	3.6
175.03928	0.8
177.01964	2.5
179.03549	1.3
183.04492	1.1
185.06021	0.8
191.05614	65.2
192.05972	2.4
199.04051	0.6
211.03998	2.1
215.05563	1.4
227.03490	11.8
228.03841	0.8
229.04997	1.2
239.03348	0.5
255.02983	41.6
256.03430	4.5
257.04565	1.5
283.02487	47.5
284.03226	45.0
285.04010	34.6
286.04370	3.0
298.04691	0.4
306.07938	0.6
327.05017	1.6
336.39514	0.4
351.07236	5.4
352.07031	0.6
352.10782	0.5
353.08722	11.7
354.08917	0.8
357.09964	1.1
446.08630	3.9
447.09006	0.7
563.14008	1.5
575.13892	0.6
593.15112	100.0
594.15460	16.0
635.16473	0.6
755.20398	6.7
756.20874	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	755.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01381	2.1
63.02404	1.3
65.00324	1.0
73.02934	0.5
81.62160	0.5
83.01388	0.7
85.02938	1.3
86.27750	0.5
93.03468	3.1
96.96014	1.9
99.04517	1.1
101.02431	0.8
105.03426	0.7
107.01381	3.7
108.02200	0.7
109.02958	1.0
111.00815	0.5
117.03481	1.5
119.01420	0.5
121.02959	1.1
123.04513	0.8
125.02477	0.8
131.20285	0.5
132.02132	2.7
133.02959	29.8
134.03441	1.1
135.00899	2.1
135.04527	13.6
135.05515	1.0
136.04837	0.5
137.02438	1.1
143.05005	1.4
145.02969	0.9
147.04495	0.5
151.00349	7.4
153.01888	0.8
154.04250	0.7
157.06584	0.9
159.04492	1.4
160.01671	0.8
161.02444	75.4
162.02794	3.9
162.91035	0.5
163.00374	3.0
164.01167	0.8
165.01924	0.8
167.05023	0.6
169.01448	0.7
169.06586	0.7
171.04538	1.2
173.04515	1.7
173.05940	0.8
174.03229	0.6
175.03978	1.3
177.01909	0.6
177.05591	0.6
178.99911	1.3
179.03502	4.7
183.04634	0.7
185.06094	3.0
187.03992	3.2
189.05592	1.7
191.05589	5.4
192.05963	0.6
195.04515	0.9
196.05191	0.6
197.06085	1.5
199.03986	1.2
203.03511	1.5
211.03989	2.4
212.04738	0.5
213.05484	2.5
214.02769	0.5
215.03468	0.7
221.04601	0.7
226.02711	0.5
227.03488	25.7
228.03854	1.7
229.05032	12.0
230.05322	1.0
233.30354	0.5
239.03442	1.9
240.04196	0.8
241.05045	1.6
243.03011	2.7
255.02977	52.5
256.03546	8.7
257.04517	7.9
267.02979	1.2
271.02490	11.3
272.02759	1.2
273.04065	0.6
276.02798	0.5
283.02362	0.8
284.03253	63.2
285.04019	100.0
286.04410	8.3
297.71439	0.5
300.02731	19.9
301.03470	8.5
302.03946	0.7
327.05139	1.1
366.09528	0.5
367.10327	4.9
368.10287	0.5
409.11429	1.0
422.03952	0.5
469.06631	1.2
469.13464	30.8
470.13931	3.6
593.15070	46.0
594.15515	7.4
609.14526	11.7
610.14825	1.6
619.13086	1.1
642.51495	0.5
709.03857	0.6
755.18231	64.9
756.18555	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	755.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68357	0.4
55.89930	0.4
59.01388	0.8
63.02405	0.9
65.00323	1.8
70.69190	0.8
70.69527	0.7
73.27864	0.4
77.86884	0.4
83.01388	1.4
87.00912	0.6
91.71008	0.3
93.03476	0.9
96.96015	0.9
107.01378	3.7
108.02195	1.2
109.02946	1.3
114.93106	0.3
117.03470	1.8
119.05025	1.4
120.86008	0.4
121.02959	3.0
125.02415	0.5
127.17854	0.4
133.02953	3.3
135.00945	1.0
135.04500	2.2
145.02945	3.0
148.01677	1.8
149.02354	0.4
151.00374	13.5
161.02437	10.2
161.04520	0.6
162.02814	0.8
163.00391	3.1
163.03984	0.5
164.01141	0.7
169.01508	0.5
171.04460	0.5
173.04579	0.9
173.06007	0.6
175.04031	0.6
175.23271	0.5
177.01855	0.4
178.99866	7.5
179.01364	0.8
179.03374	0.4
183.04480	0.7
187.03984	0.8
190.99939	0.7
191.05595	2.1
192.00754	0.8
199.03996	1.3
201.01892	0.4
203.03416	0.8
211.04021	1.8
213.05583	0.6
215.03485	0.9
216.04361	0.8
226.02711	1.9
227.03482	6.9
228.03955	0.9
229.04990	1.9
243.02966	11.2
244.03603	1.2
245.04494	1.2
254.02243	2.6
255.02988	33.4
256.03345	2.4
257.04489	1.2
271.02478	62.2
272.02954	8.0
273.04013	1.3
283.02484	1.3
284.03271	6.3
285.03979	7.7
286.04398	0.6
299.02127	1.2
300.02759	100.0
301.03458	44.7
302.03961	3.5
343.04596	0.8
392.18991	0.4
423.85959	0.6
463.08795	0.7
469.13467	6.0
591.13678	2.1
593.15021	3.1
594.15521	0.6
609.14587	60.7
610.14978	9.7
755.18237	38.7
756.18695	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	753.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.1
61.98821	16.1
64.51407	2.4
66.42325	2.3
68.49816	2.5
69.56755	13.3
71.01373	4.4
80.96510	7.9
87.00865	2.5
89.02458	2.4
98.19978	3.6
101.02410	3.5
109.06518	4.4
113.02403	2.5
161.04610	2.5
163.11279	3.7
164.98653	3.3
171.10202	9.3
176.82950	2.9
181.08733	4.8
199.09770	15.1
207.10274	22.1
225.11264	16.6
235.08252	10.6
253.09285	12.0
255.23285	100.0
256.23575	8.8
292.70224	2.5
392.04871	2.8
443.19492	4.3
444.19467	2.7
491.32224	15.3
673.41663	67.4
674.41833	12.4
699.43274	42.4
700.43677	5.2
716.41803	3.1
717.44385	3.5
745.28009	3.0
753.41766	37.9
754.41809	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	753.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.5
61.98829	15.1
69.93700	11.5
71.01383	12.3
73.02937	5.2
75.00880	19.1
76.13397	2.5
78.91914	3.3
80.02682	4.0
81.03461	5.9
82.98338	2.8
83.01391	2.6
83.05017	6.2
84.46781	2.6
85.02924	5.3
89.02444	7.3
93.03436	2.8
96.96012	5.8
97.02937	7.2
97.06567	4.4
101.02444	10.1
109.06591	28.7
111.08168	11.9
113.02405	5.2
119.03568	3.9
121.06623	3.1
125.09735	6.1
151.11313	4.0
151.49107	3.2
161.04570	3.1
161.09723	3.5
163.11263	22.4
165.12814	6.7
167.70488	2.5
169.12320	4.8
171.10324	3.3
179.10863	3.2
180.19093	2.7
181.12338	8.7
185.11868	6.4
191.10797	3.5
197.11812	69.0
199.13460	4.0
207.10255	87.2
207.12178	4.9
208.10544	5.5
209.11833	100.0
210.12198	6.5
211.13422	11.3
225.11317	40.3
227.12999	14.2
235.08194	7.5
245.19063	5.3
253.09250	40.4
263.20142	5.5
284.04849	3.0
289.18121	29.8
291.19681	18.4
293.21188	6.7
307.19199	27.6
308.19531	3.8
309.20709	65.4
310.21017	5.1
443.18823	4.5
461.20285	12.3
629.50446	3.1
637.31659	3.3
735.39557	5.4
753.40533	73.9
754.40961	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	753.406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52147	0.5
57.03438	1.4
59.01378	10.6
61.98824	1.4
64.34849	0.6
69.03462	2.0
71.01372	7.5
71.53985	1.0
72.99263	0.8
73.02956	1.2
79.85759	0.7
80.02678	1.8
81.03450	2.9
83.01402	1.7
83.05029	7.1
84.02171	1.4
85.02949	2.3
87.00883	1.5
89.02434	4.7
90.36740	0.6
93.03479	0.9
95.01407	1.6
95.05013	1.7
95.32956	0.6
96.96018	0.9
97.02951	5.9
97.06581	2.3
99.00880	1.5
101.02433	6.1
103.88801	0.6
106.04282	0.6
109.06586	19.4
110.03725	0.6
111.08150	2.5
111.63470	0.7
113.02457	3.0
119.03508	1.7
121.06593	1.5
123.04488	1.3
123.08115	1.0
125.06043	1.1
125.09693	3.3
135.08199	3.6
137.09697	1.7
142.02702	1.6
151.11423	0.8
153.12801	0.7
159.02936	0.8
161.04565	3.1
161.09659	0.7
163.11284	17.8
164.11617	1.0
165.12791	3.3
169.12381	1.8
171.10243	2.1
179.10780	1.5
181.12332	3.8
181.73598	0.6
183.13747	0.7
185.11887	3.7
189.09180	1.3
191.05600	1.2
191.10817	1.0
191.14442	3.3
192.65404	0.6
196.30659	0.6
197.11832	15.0
198.12222	0.8
207.10254	53.9
208.10591	2.7
209.11816	100.0
210.12169	7.4
211.13370	3.2
225.11308	21.7
226.11679	1.9
227.12846	10.5
228.13123	1.0
235.08189	5.7
237.11334	1.5
245.19058	6.6
246.19539	0.8
247.20721	0.9
249.14940	1.1
253.09259	18.7
254.09541	1.3
263.20151	2.1
271.16980	1.3
289.18094	27.7
290.18405	2.5
291.19620	9.9
292.20029	1.4
307.19128	23.5
308.19559	3.0
309.20721	29.7
310.21045	3.3
327.19586	0.7
443.19171	2.6
445.20636	1.2
461.20258	7.2
499.30865	0.9
517.31171	0.8
525.27344	1.2
525.99530	0.6
637.32416	1.3
675.33490	0.8
693.34637	0.9
717.37756	0.7
735.40057	3.1
736.41077	0.8
753.40656	23.7
754.40863	6.1
784.27893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15676	1.0
53.30458	0.8
57.03441	0.9
59.01382	13.0
61.98828	25.6
69.03416	1.0
71.00999	1.3
71.01377	12.5
71.55614	1.0
73.02935	1.8
78.95887	1.7
79.95740	1.9
80.96487	1.1
83.01356	1.5
85.02932	3.1
87.00877	2.5
89.02451	8.3
93.03439	1.9
94.92510	2.3
94.98080	4.3
95.54831	0.9
96.96014	18.8
97.02942	2.6
101.02440	7.5
109.06559	3.2
113.02425	3.3
113.09748	1.2
119.03481	1.7
121.06622	0.9
125.02431	2.6
135.04520	1.2
157.18788	0.9
161.04588	1.7
163.11241	2.8
167.42154	0.9
171.10201	1.3
173.04546	1.2
179.05678	1.6
185.11740	1.1
191.05615	7.1
195.13895	13.2
197.11804	2.2
207.10205	7.5
209.11848	11.4
212.00807	1.0
223.13332	2.0
225.11302	9.7
227.12814	1.7
235.08134	3.2
253.09303	5.5
277.21695	10.9
289.18063	2.8
291.19550	2.2
293.21219	1.2
295.22766	100.0
296.23129	6.9
307.19147	1.2
309.20654	4.2
397.13498	21.6
398.13733	1.6
415.09018	1.3
415.14581	26.6
416.14642	1.4
443.18640	1.7
461.20325	1.7
513.68005	1.0
693.37274	5.1
753.40051	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	752.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.98831	100.0
62.98536	0.2
71.01382	1.5
71.54885	0.1
72.99336	0.1
73.02944	0.3
78.95915	0.3
78.98613	0.5
79.95344	0.1
79.95741	5.2
80.96514	5.6
85.02943	0.6
87.00898	0.4
88.52934	0.1
93.03448	0.7
94.98102	1.0
96.96017	0.9
97.02973	0.2
99.00906	0.2
99.04531	0.2
101.02466	0.3
106.98099	0.2
111.00916	0.2
111.04562	0.1
112.49788	0.1
113.02460	0.1
118.41393	0.1
121.02962	0.1
122.97575	0.6
125.02451	0.2
127.04018	0.1
134.97626	0.4
135.04527	0.4
136.99173	0.2
148.99176	0.4
152.98669	0.4
161.04585	0.2
164.98607	0.8
171.10371	0.2
173.04578	0.3
179.03552	0.2
179.56628	0.1
190.65034	0.1
191.05618	2.7
192.06042	0.2
206.99660	0.6
207.10226	0.2
209.11887	1.1
223.13036	0.2
225.00748	2.0
225.11288	0.3
241.00426	0.3
283.05121	0.2
291.29715	0.1
301.29303	0.1
341.05557	0.5
382.45386	0.1
393.95758	0.1
396.41071	0.2
425.15140	0.3
483.15289	0.2
509.17130	0.4
525.16125	0.2
539.18127	0.2
546.21161	0.1
581.18866	0.1
609.22992	0.3
651.27429	0.4
681.27545	0.2
707.30762	0.2
710.82935	0.1
735.29059	2.5
752.29529	0.5
753.30103	4.0
753.43024	0.2
781.87067	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	752.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93052	0.1
55.47818	0.1
59.01384	0.2
60.44214	0.1
61.85316	0.1
61.98833	100.0
62.98533	0.1
71.01394	0.2
71.86769	0.1
78.91914	0.1
79.95744	0.3
80.96509	0.5
98.20588	0.2
122.97651	0.1
158.07452	0.1
159.36131	0.1
191.05606	0.5
202.65604	0.1
207.10391	0.2
209.11884	0.3
225.00781	0.1
360.87280	0.1
752.30139	0.2
753.31830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99503	0.2
56.21778	0.2
59.01389	0.2
61.98829	0.3
69.16201	0.5
69.16616	1.3
78.95905	1.5
79.95744	3.3
88.80434	0.2
94.92494	0.2
96.92223	0.5
96.96014	100.0
97.95912	0.2
98.19875	0.4
98.61332	0.2
111.00877	0.2
191.05583	0.4
225.11343	0.2
255.23236	0.2
289.18246	0.2
291.64682	0.2
297.20935	0.2
361.04645	0.2
385.37344	0.2
424.16235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82201	0.5
55.01876	0.7
57.03454	1.1
59.01381	10.2
60.75771	0.7
61.98830	86.7
69.03461	1.5
71.01382	8.6
71.31931	1.3
72.99307	0.9
73.02946	2.1
75.00894	0.7
80.02667	1.5
80.96515	1.4
81.03444	2.4
83.01377	1.8
83.05022	7.3
84.02173	1.5
85.02940	3.8
87.00871	2.1
88.98821	0.8
89.02451	3.0
93.03460	2.7
95.05052	1.3
96.96008	6.1
97.02939	0.9
99.00890	0.8
101.02446	7.1
111.00932	1.0
113.02488	3.6
119.03535	1.4
125.02428	0.6
125.06097	0.8
133.02945	0.8
135.04477	0.7
143.03520	0.7
151.11285	2.0
153.12831	2.0
161.02449	1.6
161.04547	2.6
163.11267	6.4
165.12877	3.6
169.12338	34.1
170.12700	1.9
171.10214	1.2
173.04521	1.9
179.03474	1.0
179.05669	0.8
179.10754	1.0
181.12338	1.5
183.55956	0.6
191.05583	10.2
191.10744	1.1
197.11827	68.7
198.12148	3.1
201.11356	2.3
209.11819	100.0
210.12198	6.5
225.11357	1.0
227.12885	7.8
228.13167	0.8
235.08235	0.9
242.51538	0.6
243.12576	0.7
253.09273	6.5
302.63187	0.6
445.21014	1.1
647.36169	0.8
649.38025	1.4
687.23438	0.5
687.32251	22.4
688.32471	4.0
689.34003	3.8
719.34930	48.9
720.23584	1.0
720.35333	9.8
751.37689	69.5
752.24921	0.8
752.37952	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	751.343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.3
64.74184	0.1
71.55668	0.2
78.95903	1.2
79.95741	3.2
80.96519	0.2
91.14571	0.1
94.52953	0.1
94.92502	0.1
95.97614	0.1
96.96017	100.0
97.95922	0.2
115.14941	0.1
128.17963	0.1
191.05627	1.1
223.35391	0.1
269.64313	0.1
277.21927	0.1
283.20926	0.1
304.47113	0.1
307.19055	0.2
322.33530	0.1
691.32941	0.3
751.39398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37916	0.8
57.03427	1.3
59.01389	9.4
61.98840	1.9
65.00316	2.3
65.04778	0.9
67.01899	0.9
69.73190	0.8
71.01369	4.9
73.02928	1.1
79.95739	6.8
83.01367	1.8
85.02952	4.7
87.00890	2.7
89.02432	1.1
93.03473	7.0
96.96019	100.0
100.59071	0.8
101.02431	1.8
107.01398	4.2
108.02175	1.1
109.02940	2.5
111.00890	8.7
112.01213	1.5
113.02439	1.7
121.02956	3.5
125.02453	1.1
133.14398	0.8
135.04494	2.3
137.02420	1.6
145.08717	2.6
148.01662	1.2
149.02403	0.9
149.06038	0.9
150.03175	0.8
151.00375	16.7
152.01093	1.0
161.02432	2.1
163.00415	2.1
163.03954	1.0
165.05530	0.9
173.00890	1.1
173.04546	2.9
177.01949	1.1
178.99889	9.4
179.03468	1.1
187.09718	1.7
191.03992	1.6
191.05617	24.9
192.05922	2.0
193.05013	1.0
211.03918	1.4
225.11290	3.5
226.02724	1.2
227.03496	2.8
229.04984	1.0
243.02962	6.4
245.04509	2.1
254.02206	2.1
255.03011	19.7
256.03384	1.8
271.02490	35.3
272.02902	3.8
273.04034	2.1
283.02533	0.9
284.03177	1.8
285.04077	5.3
287.05640	1.2
289.11157	6.0
299.02069	1.2
300.02774	75.1
301.03513	58.1
302.03845	3.9
305.06897	2.5
449.11179	16.7
450.11423	1.7
463.08997	4.3
465.10898	2.0
671.19891	24.1
672.20258	3.9
703.14893	1.1
751.15491	71.8
752.15729	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	750.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34130	0.1
59.01378	0.5
61.98833	100.0
62.98545	0.2
63.99252	0.2
71.01399	0.6
71.05060	0.1
71.55046	0.2
75.00873	0.2
78.91854	0.2
80.91723	0.1
80.96564	0.2
85.02973	0.3
88.56989	0.1
88.98824	0.1
89.02455	0.2
93.03455	0.2
96.96024	0.6
98.95625	0.2
101.02428	0.2
110.98530	0.1
111.00891	0.5
113.02458	0.2
191.05605	0.4
197.11777	0.2
207.10231	0.3
209.11896	0.7
210.12268	0.3
211.13429	0.3
212.13730	0.2
225.11418	0.3
227.12932	0.2
245.91112	0.1
253.09265	0.1
267.80569	0.1
291.19711	0.1
292.20056	0.1
293.21249	0.9
397.13531	0.3
398.14099	0.2
415.14734	0.3
416.14978	0.2
458.46667	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	745.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.4
59.01383	2.2
61.98833	1.1
67.01883	0.5
71.01382	3.5
72.99310	0.8
73.02930	0.6
74.75938	0.4
75.00911	0.5
79.95740	12.1
80.96527	5.7
83.01405	0.6
84.95151	0.7
85.02959	3.4
87.00869	2.6
89.02426	0.6
93.03454	1.8
95.95259	1.1
96.96014	69.2
98.19914	1.1
99.04513	0.7
101.02448	4.0
107.02059	0.5
109.02939	0.5
111.04564	0.6
112.64837	0.5
113.02462	2.5
121.02990	0.5
122.97645	0.9
123.04598	0.7
127.04044	0.7
133.03012	0.9
135.04512	1.3
137.02440	1.4
137.96313	0.6
138.97081	6.9
150.97052	1.7
155.03539	0.7
161.02464	1.7
161.04556	1.2
166.96550	0.9
173.04520	2.1
173.05872	0.5
179.03500	0.9
180.98189	0.8
187.07632	0.9
191.05620	16.2
192.06023	1.1
193.05142	0.7
241.00235	19.4
242.00488	0.5
257.08090	0.8
299.01990	0.6
353.08749	0.6
357.07031	0.5
393.88086	0.5
412.43210	0.5
437.05209	0.7
449.14401	2.1
497.12772	2.2
527.81958	0.5
529.36646	0.5
697.29028	26.2
698.29401	5.1
715.29987	2.6
745.31140	100.0
746.31616	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	749.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67018	1.2
71.01382	8.3
76.77486	1.1
78.95899	4.0
78.98594	6.0
79.95731	16.5
80.96519	73.5
81.03421	1.5
82.96104	2.2
85.02946	1.9
86.80434	1.2
87.00878	2.9
90.68424	1.3
94.50278	1.5
94.98089	15.8
96.96031	2.2
97.02974	2.4
106.98048	1.7
116.92922	1.2
122.97586	9.1
125.02441	3.9
134.97565	5.2
145.49814	1.5
148.99109	6.8
152.98634	5.0
164.98637	13.4
194.89955	3.0
196.89436	4.2
197.24425	1.5
206.99623	2.9
211.13483	1.9
217.64381	1.3
225.00710	16.3
255.23203	3.0
493.17612	1.9
537.26947	1.9
749.41296	100.0
750.41449	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	745.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.8
58.00590	4.9
59.01383	96.5
59.05745	0.9
60.01728	1.2
61.98825	2.9
68.99803	1.2
71.01387	81.2
72.01735	1.0
72.99311	7.3
73.02950	3.1
75.00873	1.7
78.69376	0.8
79.95747	1.3
81.03471	1.2
81.10305	0.9
83.01377	2.6
85.02959	15.1
87.00874	7.5
89.02450	100.0
90.02769	1.0
93.03461	7.1
95.01385	5.6
95.29406	0.9
96.96020	23.7
97.02910	1.6
98.20695	2.7
99.00901	1.7
101.02450	39.6
107.05035	1.2
108.02161	1.5
109.02941	2.2
113.02458	36.4
117.03441	1.8
119.03510	40.7
119.04936	2.9
120.47163	0.9
121.02946	3.0
122.03757	2.3
123.04492	1.6
125.02451	1.5
131.03499	4.2
133.02960	2.7
134.03781	2.0
135.04482	4.0
136.01669	15.3
137.02422	4.7
143.03528	9.6
145.02940	7.3
146.03709	2.3
147.04527	2.5
149.02393	2.8
149.04523	4.7
149.06042	1.0
150.03226	13.1
151.00372	4.9
151.04013	17.5
160.05286	1.1
161.02461	8.8
161.04570	9.0
161.05881	1.7
162.03232	33.5
162.04590	1.8
163.03929	2.6
165.05574	15.1
166.02724	14.6
166.04929	1.1
173.04558	2.3
175.03981	1.3
177.02005	1.7
177.05565	19.4
179.03465	1.6
179.05626	23.7
179.07173	1.7
180.04280	2.6
181.05075	14.9
191.03886	1.6
191.05615	14.8
192.05923	1.7
193.04993	1.0
195.06631	16.8
201.11299	3.7
204.56766	1.0
205.04906	1.2
209.11865	5.5
253.09355	1.0
267.07022	2.7
357.12897	2.1
372.11957	2.5
387.14554	10.6
388.14792	2.2
535.19061	1.4
547.19843	10.1
548.20551	2.0
583.21808	4.7
629.31793	1.3
745.26752	4.4
745.35968	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.3
61.98822	4.1
65.36829	1.1
69.03452	3.0
71.01382	3.1
78.95894	3.9
79.42133	1.3
85.02914	1.8
89.02456	1.9
89.32595	1.3
92.92809	1.5
101.02442	2.9
113.02450	1.8
125.09692	2.2
145.01700	1.4
151.11354	1.9
152.99553	3.9
161.09677	3.0
172.13383	1.4
179.10739	6.2
197.11813	31.3
198.12102	1.6
209.11879	3.8
229.09894	1.6
253.09215	1.7
281.24838	61.1
282.25098	5.2
362.49051	1.6
500.29346	1.5
731.36060	1.5
741.44287	100.0
742.44537	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68664	1.2
57.03461	1.4
58.97850	1.0
59.01376	11.7
61.98832	5.4
69.03453	1.2
71.01383	20.8
71.55177	1.3
72.99342	1.0
73.02954	2.5
80.02664	1.5
81.03447	1.8
83.05030	4.3
85.02968	5.6
85.03424	0.9
86.64034	0.9
87.00918	2.3
89.02444	3.3
91.59818	1.0
93.03464	4.0
95.01417	1.4
95.05055	1.4
96.96011	4.3
97.02972	2.6
97.06580	1.5
99.00890	4.1
99.04550	1.1
101.02448	5.1
103.22708	1.0
105.02054	0.9
106.04219	1.0
107.05009	1.0
109.06596	7.4
111.00912	2.5
111.04545	1.5
113.02448	2.9
119.03458	1.3
123.04559	1.1
125.06089	1.2
125.09696	2.3
127.11304	2.2
133.02960	1.5
135.04524	3.7
135.08170	1.6
136.05289	1.1
137.02429	2.1
137.09715	1.5
143.03558	1.3
155.03542	0.9
155.10823	2.6
160.14247	1.0
161.02496	1.9
161.04541	3.7
163.11276	7.5
165.12823	2.0
171.10274	19.1
172.10616	1.7
173.04550	3.6
179.03453	1.2
179.05655	1.2
181.08659	1.0
181.12379	2.8
187.09549	1.0
191.05609	20.6
192.05931	2.0
197.11832	3.4
199.09744	17.1
199.13402	3.6
201.11310	34.9
202.11638	2.0
203.28343	1.0
207.10260	23.5
209.11823	100.0
210.12164	6.0
215.12904	1.1
225.11290	32.1
226.11679	2.3
227.12891	19.4
228.13329	1.6
235.08153	4.8
243.12357	2.3
253.09274	15.4
366.28268	1.0
391.21384	1.4
399.21414	1.0
407.19162	1.4
417.22794	1.8
435.18698	2.5
443.19363	2.7
445.20688	3.3
461.20093	8.6
462.20328	1.5
525.56305	1.1
609.28864	2.7
615.30029	1.2
627.30029	6.8
635.30835	3.0
645.31641	6.2
646.31262	1.9
653.31024	6.8
655.61285	1.1
671.22424	1.4
671.32629	7.9
672.32904	1.9
689.33917	5.1
707.34766	6.3
743.33112	3.9
747.49219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23669	1.0
58.00579	1.3
59.01105	1.8
59.01381	25.1
61.46845	0.9
61.98834	2.5
70.68233	3.0
71.01382	20.5
72.69056	1.1
72.99311	1.8
73.02946	3.9
75.00882	1.4
83.01388	2.6
85.02922	5.5
87.00832	5.3
88.21625	1.0
89.02441	20.0
90.02695	1.2
95.01394	2.1
97.02953	3.7
97.40121	1.0
99.00890	1.4
99.04567	1.1
101.02435	18.3
111.04476	1.1
113.02460	7.9
113.99525	1.1
119.03507	5.0
125.02434	8.3
143.03497	3.5
157.58089	1.0
161.04602	4.0
171.10229	2.9
179.05600	3.0
207.10300	2.1
209.11813	3.2
225.11307	3.6
235.08191	7.7
253.09277	2.6
255.23225	1.1
255.99481	1.1
279.23245	8.6
283.26428	61.3
284.26700	6.5
287.07788	2.9
297.37744	1.2
305.08621	3.0
323.09641	1.4
397.13504	100.0
398.13788	8.3
415.14536	30.7
416.14758	2.3
533.46820	1.2
681.40240	5.0
691.43536	2.3
723.44067	1.6
741.44049	5.4
742.45306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.7
61.98834	100.0
71.01388	0.8
73.02961	0.2
83.05037	0.2
87.00892	0.2
89.02464	0.6
96.96010	0.4
101.02477	0.5
109.41373	0.2
113.02396	0.3
163.11380	0.3
169.12303	0.2
191.05746	0.4
195.13882	0.8
209.11839	5.9
211.13408	1.1
212.13795	0.5
225.11499	0.2
227.12842	0.9
235.08316	0.4
253.09235	1.0
277.21967	0.7
279.23276	0.8
280.23572	0.9
281.24033	0.4
291.19955	0.2
293.21219	0.9
294.21750	0.3
295.22787	5.9
310.46393	0.2
384.72702	0.2
397.13531	0.3
398.14029	0.6
399.13992	0.9
400.14420	0.4
416.15054	0.2
417.15485	0.3
418.15308	0.2
740.43170	0.3
741.41724	0.2
745.70746	0.2
755.18652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77274	0.1
59.01377	0.3
61.07481	0.1
61.98830	100.0
62.98538	0.2
63.63920	0.1
81.03452	0.1
83.05018	0.2
85.02963	0.2
93.03464	0.1
96.96027	0.2
97.20478	0.1
135.04530	0.2
156.94678	0.1
157.40096	0.1
159.04620	0.1
160.88062	0.1
173.04512	0.1
191.05602	1.3
192.05884	0.1
222.54176	0.1
225.16096	0.1
226.16406	0.1
229.55595	0.1
230.87183	0.1
297.80627	0.1
353.08728	0.1
400.61136	0.1
401.11459	0.1
416.08878	0.1
424.87067	0.1
429.78177	0.1
563.85229	0.1
572.96710	0.1
677.49622	0.1
678.50238	0.2
679.50250	0.4
680.50574	1.2
681.50970	0.1
740.49231	2.1
741.49567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09125	0.5
54.70938	0.4
54.76198	0.4
55.01893	0.4
57.03456	1.9
57.11037	0.4
58.00605	0.5
59.01380	6.9
61.98838	1.6
69.03454	1.4
71.01384	4.2
73.02939	1.0
81.03469	0.5
83.05038	1.8
85.02965	1.7
87.00915	1.0
89.02455	2.5
95.01421	0.6
95.05038	0.9
96.96027	2.5
97.02962	1.6
97.06602	5.1
97.09806	0.5
98.19846	0.9
98.46996	0.5
101.02450	4.1
109.06567	0.8
111.00918	0.5
111.08169	2.5
113.02457	1.6
119.03506	0.6
123.08183	0.6
125.09723	0.8
133.05025	0.6
133.10219	0.8
137.09732	0.7
145.05153	0.4
151.11292	14.8
152.11647	0.9
161.04573	1.6
163.11292	0.9
165.12889	1.4
169.12344	66.8
170.12624	3.3
171.10281	1.5
181.12302	0.6
185.11877	0.7
191.05695	1.0
195.10272	1.7
197.11842	10.7
207.10341	1.0
209.11824	4.0
210.12170	0.7
211.13388	2.1
213.11325	8.2
223.13130	0.6
227.12964	1.2
229.18097	0.5
235.08264	1.2
238.03447	0.4
247.20692	1.1
253.09276	3.0
256.20953	0.4
263.20044	0.6
273.18503	0.7
277.21927	0.5
278.25400	0.4
278.43338	0.5
291.19678	7.0
295.22849	1.2
297.20624	0.8
309.20737	5.8
310.21161	0.7
327.21866	0.9
338.69046	0.5
388.60553	0.4
431.19275	2.3
449.20230	3.7
741.40686	100.0
742.41064	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	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23046	0.4
55.01845	0.4
57.03453	1.1
59.01376	8.2
61.98830	4.9
70.44023	0.5
71.01384	4.0
71.33352	1.0
73.02943	0.5
75.00880	0.5
80.02713	1.1
81.03445	1.3
83.05033	5.6
84.02161	0.6
85.02956	1.4
87.00873	1.0
89.02452	2.8
93.03433	0.9
95.05029	0.9
96.96024	1.1
97.06622	0.6
99.63754	0.5
101.02435	3.7
112.60771	0.5
113.02455	1.9
119.03504	0.5
121.10232	0.5
125.06052	0.7
135.08228	0.6
161.04520	0.9
163.11305	3.9
165.12822	2.0
171.10292	3.1
176.82727	0.6
179.05531	0.7
179.14406	0.8
181.12259	0.7
183.22211	0.5
191.05550	0.9
191.10780	0.6
195.13878	7.1
196.14554	1.0
204.99406	0.5
207.10257	0.6
209.11821	100.0
210.12195	5.6
211.13382	2.4
223.13368	4.5
224.13763	0.5
227.12856	10.2
228.13284	0.7
231.20972	0.7
235.08203	2.6
253.09282	17.2
254.09624	0.5
256.13132	1.0
275.20160	10.5
276.20642	0.8
293.21219	82.2
294.21545	8.3
445.20932	0.9
485.33121	0.5
529.30145	0.7
623.30096	0.5
739.40662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41141	0.2
57.03459	0.2
58.00605	0.2
59.01102	0.3
59.01379	2.9
61.98830	1.7
63.97950	0.1
69.03457	0.2
71.01377	2.4
73.02940	0.5
78.81131	0.2
80.02670	0.9
81.03465	1.1
83.01382	0.5
83.05023	3.7
84.02169	0.7
85.02944	0.6
87.00888	0.4
88.98814	1.0
89.02441	2.0
93.03423	0.2
95.01379	0.2
95.05007	0.8
96.96024	0.6
97.02939	0.2
97.06570	0.4
99.94632	0.2
100.38964	0.2
101.02443	2.2
103.04099	0.2
109.06587	0.5
111.08151	0.2
113.02452	1.1
113.09729	0.2
119.03483	0.6
121.10297	0.2
125.02453	0.2
125.06091	0.5
135.08160	0.5
145.05159	0.3
147.11826	0.2
151.00368	0.3
161.04622	1.1
163.10020	0.3
163.11288	3.3
164.11569	0.3
165.12837	1.9
168.79832	0.2
169.12320	0.3
171.10240	0.8
177.20834	0.1
179.05478	0.3
179.14395	0.2
179.71049	0.1
181.12282	0.6
183.13927	0.5
191.05580	0.3
191.10756	0.8
195.13907	2.5
196.14320	0.3
199.13342	0.3
201.90352	0.1
207.10275	0.2
209.11816	100.0
210.12163	5.4
211.13376	0.7
217.29706	0.2
223.13383	1.6
225.11333	0.4
226.11728	0.2
227.12878	10.4
228.13284	0.7
230.50273	0.2
231.21413	0.2
235.08218	3.2
253.09274	10.5
254.09621	0.4
256.13293	0.4
275.20148	3.6
276.20441	0.3
293.21216	38.6
294.21533	3.4
295.22736	0.2
309.20621	0.2
445.20816	1.7
574.96808	0.2
670.35559	0.3
739.29523	0.2
739.41382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57206	0.7
55.01870	1.1
57.03442	1.2
59.01384	28.5
61.98830	4.0
65.86166	0.7
68.99542	0.8
69.03439	1.3
70.87636	1.7
70.87960	1.1
71.01005	1.5
71.01389	27.2
72.99315	2.9
73.02962	3.9
81.03461	2.0
83.01395	2.4
84.95127	3.3
85.02963	5.3
87.00887	5.4
89.02451	23.4
95.01366	1.5
97.02956	5.2
99.00875	1.4
101.02454	19.3
105.48980	0.8
109.06628	0.8
113.02456	9.2
116.23993	0.8
119.03481	5.8
121.43623	0.7
123.00874	1.0
125.02455	9.0
129.26859	1.0
131.03471	0.9
143.03488	3.1
161.04567	5.1
171.10236	4.4
179.05582	3.5
191.05583	1.8
207.10233	1.3
207.88573	0.9
209.11800	2.7
217.07216	1.1
221.06670	2.3
225.11270	2.9
235.08281	9.9
236.08638	0.9
245.06390	0.9
253.09224	1.8
277.21719	6.2
278.21973	0.9
281.24878	79.3
282.25253	7.1
287.07581	2.0
293.21097	2.9
294.21588	1.6
305.08823	5.3
323.09988	1.8
397.13525	100.0
398.13901	8.8
415.14587	29.2
416.14807	2.3
677.36792	3.4
679.39331	6.1
680.39478	1.6
739.41901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03444	1.5
58.00592	1.4
59.01382	35.3
60.36955	0.9
68.76804	0.9
69.03454	2.7
71.01381	32.1
71.54975	1.2
72.99294	1.8
73.02939	5.6
75.00853	1.0
81.03435	1.2
81.67915	0.8
83.01393	3.3
83.05021	1.2
85.02969	6.2
87.00892	5.9
87.04449	0.8
89.02446	24.3
91.04056	1.2
95.01382	2.5
96.95988	1.0
97.02970	5.2
97.06590	1.4
99.00883	9.7
101.02449	20.5
108.33453	0.9
109.06594	3.0
110.03739	1.2
111.00893	0.9
111.04543	2.1
113.02454	11.0
119.03481	5.5
121.02901	0.9
123.00865	0.8
125.02438	7.6
125.09740	3.1
131.03497	1.5
133.05066	0.9
133.70819	0.9
139.04015	1.0
141.01921	1.4
143.03484	3.9
145.05148	0.9
161.04500	4.5
161.09706	1.0
162.08014	0.9
163.11296	6.0
171.10275	35.3
172.10666	1.1
179.05608	3.8
179.10727	1.7
181.12373	8.0
184.96361	1.1
185.11818	1.3
189.09239	1.3
191.05342	1.0
197.11824	1.9
199.09808	1.9
199.13342	3.4
201.11374	6.6
207.10272	22.6
208.10591	1.1
221.06548	1.6
223.09669	1.4
225.11325	39.9
226.11670	2.2
235.08195	11.7
243.12405	8.3
253.09293	9.1
254.09796	1.4
271.02435	0.9
271.06723	1.0
277.21722	67.5
278.22101	10.6
279.22476	1.2
281.24863	66.9
282.25067	6.1
287.07666	2.2
305.08820	3.8
323.09836	1.4
397.13513	100.0
398.13940	7.9
398.18762	1.4
407.19156	1.4
415.14590	27.8
416.14908	1.9
443.19064	1.9
461.20438	4.6
479.21390	2.9
588.83313	0.9
679.39355	3.4
721.41852	5.2
739.42719	39.6
740.42969	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	739.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.1
61.98830	72.7
62.16141	4.3
62.75266	5.1
65.98241	4.4
68.49155	5.2
70.65340	7.7
70.65653	7.6
76.47860	5.1
83.05004	7.5
84.37223	5.1
93.03445	7.8
101.02422	8.8
109.06567	14.5
163.11288	10.1
191.05540	9.5
207.10249	58.9
209.11821	100.0
225.11337	38.3
227.12874	32.3
242.08328	4.6
253.09221	10.4
373.23788	7.5
417.22675	5.9
443.18808	8.1
445.20535	13.3
461.20108	17.7
635.31036	47.0
636.31158	13.0
653.31708	54.4
654.31818	15.7
671.32776	76.7
672.33032	18.6
739.33044	61.3
740.33105	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	739.209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99667	0.2
59.01374	1.7
63.18306	0.2
65.59779	0.2
67.01874	0.5
68.99796	0.4
69.03431	0.4
71.01389	0.9
81.03449	0.4
83.05013	0.2
84.39846	0.2
85.02943	7.1
87.00873	2.0
90.48308	0.2
93.03457	4.8
96.95999	2.4
99.04515	0.4
101.02435	0.7
109.02951	0.8
111.00913	0.3
111.04490	1.1
117.03506	0.3
119.05032	0.6
121.02945	0.4
125.02435	0.3
127.04025	1.7
132.02170	0.3
133.02934	0.7
134.03706	0.4
135.04515	5.2
136.04872	0.3
137.02434	0.5
145.02939	0.6
150.03259	0.3
151.03958	0.4
155.03368	0.3
160.01672	0.3
161.02438	2.1
163.03984	1.0
171.03017	0.7
173.04578	1.4
174.05113	0.3
175.02527	0.2
175.03941	0.3
177.05695	0.3
179.03517	2.5
191.05614	100.0
192.05972	3.8
193.06105	0.3
203.03513	0.5
221.04567	0.4
337.09277	18.6
338.09662	1.7
339.08493	0.2
353.08563	0.7
384.07556	0.3
439.91959	0.2
547.14380	1.9
557.12982	0.4
559.13727	0.6
565.15411	0.4
623.12445	0.3
739.20801	4.0
740.21027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1884
Annotation	Halistanol Sulfate G
Peak:m/z	Relative Intensity
57.03441	1.4
59.01389	5.4
61.98833	8.2
63.02363	0.4
65.00330	1.6
69.03501	0.5
71.01383	12.0
73.02945	1.0
78.19826	0.4
78.95930	0.7
79.95735	0.5
80.96528	1.4
81.03483	0.9
83.01398	1.3
83.05010	0.8
85.02960	1.6
87.00873	1.3
89.02474	0.9
89.63409	0.4
91.01894	0.6
93.03481	2.1
96.96005	3.6
99.04567	0.5
101.02439	2.1
107.01398	3.1
108.02179	1.9
109.02943	1.2
109.06611	0.8
111.00878	3.1
111.04510	0.5
111.92116	0.4
112.79462	0.4
113.02491	0.8
118.96188	0.4
119.01359	0.5
119.05048	0.9
121.02954	2.1
121.80154	0.4
123.79494	0.4
124.01679	0.5
124.46668	0.4
125.02413	0.7
125.09698	0.5
127.11327	0.7
133.02914	1.3
134.03709	0.5
135.00894	1.0
135.04547	1.6
137.02408	0.9
145.87526	0.4
147.04507	0.9
148.01662	1.8
149.02428	0.5
151.00369	10.9
152.00745	0.5
155.03528	0.9
159.04535	0.6
161.02444	2.5
161.04573	2.0
163.00415	2.4
163.04027	0.7
163.11259	0.6
164.01173	1.5
169.01518	0.7
171.10295	7.5
173.04564	2.0
175.03856	0.6
178.99886	5.8
179.03473	1.0
187.04044	0.7
187.07729	0.6
190.02759	0.8
191.05602	6.2
192.05963	0.5
197.11783	0.5
199.04022	1.6
199.09743	1.3
201.11293	3.2
205.05031	0.6
207.10219	1.8
209.11821	15.4
209.62576	0.5
210.12141	0.7
210.41670	0.4
211.04045	1.2
215.03625	1.0
225.11278	2.3
226.02657	1.8
227.03494	4.5
227.12906	1.9
228.03883	0.6
229.01303	0.6
229.04993	0.6
243.02969	12.7
244.03447	1.4
245.04567	0.7
253.09271	2.0
254.02313	2.2
255.02986	28.8
256.03326	2.3
271.02475	66.1
272.02902	5.2
273.03958	0.9
283.02527	1.2
299.02094	2.2
300.02750	100.0
301.03418	32.7
302.03906	2.1
343.04669	0.8
353.09109	0.6
449.14453	0.6
463.08652	2.7
573.12372	1.0
586.34576	0.6
587.34454	0.6
591.13495	4.0
592.13641	0.7
609.14484	1.0
707.34796	0.8
739.18817	68.0
740.19067	17.4
740.32404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.188
Annotation	Kaempferol 3-(4''-(E)-p-coumarylrobinobioside)
Peak:m/z	Relative Intensity
52.27283	0.4
57.03437	0.4
59.01378	1.1
60.85678	0.4
63.02401	1.0
65.00335	1.1
67.01869	0.4
69.55463	1.4
69.55883	0.9
83.01391	1.3
85.02952	0.9
86.24448	0.3
93.03443	2.2
96.96014	2.2
98.19890	0.6
101.02415	0.5
107.01388	3.3
108.02215	0.4
109.02996	0.6
111.00890	0.8
117.03464	6.6
119.05020	4.3
121.52280	0.3
125.02399	0.7
132.02194	1.0
133.02936	0.4
135.00887	1.0
135.04559	0.6
137.02470	0.6
142.07468	0.3
143.05054	0.8
145.02956	17.4
146.03288	0.9
151.00366	5.1
159.04488	1.2
161.02452	1.3
161.06090	0.4
163.00383	2.1
163.04024	2.4
164.01108	0.6
165.01851	0.6
169.01501	0.6
169.06589	1.0
171.04547	0.7
173.02353	0.4
173.04625	0.6
175.04034	0.6
178.99818	0.5
179.03542	0.5
183.04433	0.7
185.06058	1.6
187.03992	3.1
189.05583	1.1
191.05598	3.2
196.05302	0.5
197.06059	0.8
199.04013	0.8
200.04770	0.6
201.05620	0.4
205.04964	0.5
211.04027	2.5
212.04773	0.5
213.01930	0.4
213.05537	1.7
217.04974	0.5
227.03487	31.8
228.03952	2.3
229.05046	8.8
230.05389	0.6
239.03429	1.1
240.04190	0.5
241.05029	1.0
243.02975	0.4
255.02977	58.4
256.03513	8.7
257.04532	6.4
269.04663	0.6
283.02481	0.6
284.03253	76.6
285.04016	100.0
286.04373	8.6
300.02786	0.6
309.09897	0.4
327.05118	1.3
351.10663	0.9
393.12515	0.5
447.09116	0.4
453.13983	8.0
454.14499	0.9
463.08899	0.5
559.33002	0.4
575.13885	2.6
593.15131	35.0
594.15509	6.0
619.12390	0.5
739.18781	40.5
740.19098	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
55.99609	0.3
59.01379	100.0
60.01718	1.2
61.98830	41.7
62.98536	0.6
63.99261	1.4
69.03444	0.3
70.44807	0.7
70.45138	0.2
71.01380	5.5
72.99313	0.4
73.02956	0.8
75.00900	0.3
78.28719	0.3
80.96521	1.1
83.01398	0.7
85.02943	2.7
86.00093	0.8
87.00869	1.2
87.04088	0.3
89.02428	1.1
93.03481	1.5
95.01371	0.5
96.96001	1.1
97.02966	0.7
99.00837	0.4
99.04517	0.7
101.02438	5.8
109.58987	0.3
111.00858	0.5
113.02450	3.0
125.02429	0.5
133.02922	0.8
134.03702	0.5
135.04478	1.1
137.02408	0.6
143.03459	1.0
160.01578	0.6
161.02483	1.7
161.04546	3.2
171.10107	0.5
173.04544	1.8
175.03941	0.3
179.03502	0.4
191.05579	6.6
192.05962	0.3
201.11118	0.4
209.11668	1.2
211.13316	0.5
225.00534	0.3
225.11203	0.4
311.21829	1.0
399.10214	0.3
635.41626	19.9
636.42047	3.8
677.42688	13.1
678.43018	2.3
679.40668	3.8
680.39771	0.8
721.41034	0.7
728.75775	0.4
737.30621	1.8
737.43304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39870	0.2
54.98217	0.2
59.01381	14.8
71.35390	0.2
80.05051	0.2
81.03453	4.8
83.05025	13.5
84.05354	0.4
94.62323	0.2
96.96050	0.2
105.94968	0.2
107.06158	0.2
108.04565	0.3
125.07184	0.9
126.05580	0.3
132.21361	0.2
143.08249	0.6
151.00397	0.5
152.78590	0.2
178.99875	0.5
191.05548	0.6
205.51015	0.2
207.15005	1.0
219.40601	0.2
224.17645	2.0
225.16084	12.1
226.16431	0.6
242.18611	0.4
309.21783	0.8
324.26657	0.4
333.23056	0.5
341.29193	0.6
346.64014	0.2
349.53049	0.2
350.24420	0.4
367.27124	1.7
368.27975	0.3
385.28946	0.2
386.28561	0.2
398.11157	0.2
433.31696	1.0
450.34583	1.0
451.32901	8.1
452.33078	1.1
468.35187	0.2
550.43225	1.1
551.43896	0.2
559.39453	0.3
593.43701	0.6
659.48450	1.7
660.48560	0.4
677.49658	100.0
678.49982	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	737.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
59.01384	5.8
61.98835	46.9
62.13129	0.3
62.98558	0.4
63.99247	0.3
64.90656	0.3
68.23572	0.3
71.01390	2.8
71.56013	0.4
72.99322	0.5
75.00872	0.8
78.95970	0.4
79.95755	0.7
80.02682	0.7
80.96516	2.4
81.03477	1.4
83.01398	0.5
83.05032	3.9
84.02168	0.8
85.02959	2.3
87.00888	1.1
89.02453	1.4
93.03491	1.4
95.01424	0.4
96.96027	1.6
99.00919	0.6
101.02426	2.2
109.06577	0.4
110.83836	0.3
111.00898	0.3
113.02459	1.0
119.03553	0.4
125.09714	0.4
129.41707	0.3
132.02202	0.6
133.02901	0.5
134.03731	1.3
135.04539	0.8
135.08118	0.7
140.09621	0.4
151.78632	0.3
160.01636	1.9
161.02414	1.1
161.04572	1.4
163.11304	3.5
165.12856	1.5
169.12355	0.9
171.10260	1.6
173.04614	1.9
175.04030	2.8
176.04515	0.4
179.03531	0.4
181.12358	0.9
183.95648	0.4
191.05623	8.8
191.10767	0.9
192.05896	0.5
193.05055	1.2
199.13387	0.5
207.10287	1.1
209.11835	100.0
210.12189	5.5
225.00801	0.6
225.11266	1.8
227.12897	13.7
227.15150	0.8
228.13268	1.0
235.08340	1.7
249.63522	0.4
253.09302	5.0
317.56952	0.4
445.20740	3.1
463.21841	0.7
637.32367	1.2
687.31970	0.8
737.32202	4.6
738.33057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.1
61.98829	100.0
62.23253	0.1
62.98538	0.2
68.60112	0.1
69.65286	0.2
69.65692	0.2
71.67446	0.1
80.96512	0.2
87.35287	0.1
95.52898	0.1
98.19849	0.1
104.59722	0.1
123.82903	0.1
133.06149	0.1
133.95773	0.1
191.05690	0.2
197.17117	0.1
209.11852	0.3
210.12207	0.1
227.12872	0.1
293.41638	0.1
315.91415	0.1
319.89587	0.1
343.70795	0.1
442.22244	0.1
511.87347	0.1
590.60168	0.1
736.30145	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01369	1.4
63.96234	1.0
69.03451	1.1
70.22166	0.5
70.56006	0.7
70.56374	1.1
71.01390	7.1
73.02934	2.0
78.98589	5.5
79.95742	11.3
80.96522	61.2
81.03465	1.2
85.02967	2.8
87.00887	2.8
94.98090	13.0
96.96008	1.9
97.02901	1.5
101.02451	2.6
106.98073	2.0
108.63806	0.7
111.00881	0.5
122.97581	2.8
125.02425	2.6
125.20995	0.5
127.03996	1.2
130.57368	0.5
134.97603	4.6
136.99115	1.6
148.99152	5.9
152.19696	0.6
152.98624	5.7
164.98618	12.3
164.99997	0.6
165.98833	0.5
167.00266	0.5
188.98558	0.5
191.05661	1.2
206.99699	3.8
209.11795	3.4
225.00748	23.4
226.01094	0.6
243.02100	0.5
259.02499	0.5
283.04919	1.1
321.22321	0.6
350.65720	0.6
509.16882	5.0
592.71368	0.6
723.91614	0.6
737.30627	100.0
738.30969	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	736.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.1
58.38121	0.1
59.01377	0.9
61.98831	100.0
62.98539	0.2
63.99254	0.4
71.01401	0.2
71.54436	0.2
71.54848	0.1
77.61935	0.1
80.96515	0.2
85.02961	0.3
93.03474	0.2
96.96005	0.3
101.02483	0.1
102.43616	0.1
109.02982	0.1
111.00885	0.5
116.92876	0.2
117.45255	0.1
119.05103	0.1
135.04530	0.1
161.02440	0.1
171.10312	0.2
173.00937	0.1
173.04564	0.4
179.03506	0.1
191.05620	1.4
197.11966	0.1
201.62099	0.1
209.11871	0.9
210.12193	0.4
227.12953	0.1
317.11963	0.1
322.80365	0.1
379.65189	0.1
737.31482	0.2
743.05878	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	7.4
70.39500	10.0
71.29297	3.1
78.95869	4.0
101.98582	3.7
109.06586	7.6
123.63329	3.1
139.35689	3.0
163.11322	4.7
181.60602	2.8
189.09209	4.4
205.48671	3.1
207.10274	47.2
208.10460	4.3
225.11304	15.0
235.08182	8.1
253.09357	6.7
255.23306	100.0
256.23511	8.1
391.55371	4.0
443.19592	4.0
462.55087	3.7
491.32022	11.1
611.71808	3.0
623.16687	3.2
699.43146	45.0
700.43518	13.6
735.40656	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	735.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.0
61.98821	12.4
74.97065	3.3
78.95915	3.7
90.33734	2.8
113.02515	3.2
177.83368	3.2
208.85571	3.2
209.11803	61.5
210.12181	3.2
212.81955	3.2
227.12894	14.4
233.79012	2.9
235.08113	10.8
253.09299	8.3
253.21722	100.0
254.22063	8.6
255.23343	7.0
281.08017	3.0
360.73642	3.2
445.20868	3.5
489.30560	6.6
735.40662	34.0
736.41302	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	735.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90629	0.5
54.04775	0.5
55.57759	0.6
57.03442	0.9
59.01396	3.7
61.98830	100.0
63.96242	1.2
67.01913	0.5
68.58987	0.5
69.03438	0.6
69.87851	0.5
71.01385	7.9
71.54941	0.8
72.99326	0.8
73.02940	1.2
78.98602	5.2
79.95730	10.0
80.96516	59.0
81.03455	1.0
83.05080	0.6
85.02948	2.9
87.00867	2.7
89.02451	0.8
93.03458	0.9
94.98083	13.0
96.96024	3.2
97.02941	1.2
99.00878	1.0
99.04520	0.8
101.02457	2.3
106.98058	2.8
109.06591	0.6
111.00894	1.5
113.02457	1.8
116.92861	0.8
122.97594	2.7
125.02468	2.4
133.02971	0.8
134.97562	4.4
146.97711	0.5
148.99141	5.4
151.97861	0.6
152.98651	5.0
157.77066	0.5
161.04572	0.7
163.11275	0.6
164.98625	9.6
171.10225	0.7
173.04523	0.9
173.93208	0.5
175.53955	0.5
185.11804	0.8
191.05626	5.7
197.11943	0.5
206.99651	2.6
207.10199	1.4
209.09892	0.8
209.11813	10.8
210.12112	4.2
211.12257	0.9
225.00735	18.1
225.11195	0.6
226.01245	0.6
227.12825	1.1
228.13011	0.6
253.09239	0.8
314.07635	0.7
507.15497	1.5
509.16681	2.5
664.50488	0.6
713.94403	0.7
735.28979	77.8
736.29388	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	735.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96231	1.3
71.01385	8.4
78.95904	1.8
78.98592	7.5
79.95737	14.1
80.96516	81.0
81.03467	1.1
84.94697	1.0
85.02934	1.7
87.00882	2.7
93.64405	1.1
94.98090	15.8
98.20689	1.9
101.02441	3.3
106.98058	4.0
122.97534	5.6
125.02427	3.4
134.97551	4.7
136.99118	2.2
148.99144	7.4
152.98645	5.5
153.98761	1.2
161.40305	1.0
164.98610	15.0
171.10393	1.1
197.11790	2.2
206.99638	2.9
225.00754	22.0
255.23216	4.5
277.21683	2.0
307.42010	1.1
406.98822	1.1
453.14285	1.2
479.16235	1.5
735.39862	100.0
736.40216	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	733.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52961	7.2
55.26532	6.4
64.01312	7.6
65.73579	7.7
69.32662	8.2
69.42529	55.0
71.68657	7.3
207.10249	49.2
225.11310	9.8
235.08183	13.6
253.09358	14.5
253.21719	99.9
254.22017	11.7
266.39383	6.8
277.21753	33.1
280.01102	8.6
455.35327	100.0
563.94739	7.9
697.41266	45.7
733.39667	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	734.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98834	100.0
62.98538	0.2
70.68753	0.2
71.01402	0.2
80.96525	0.4
85.02941	0.1
93.03474	0.1
93.62077	0.1
94.98112	0.1
96.96033	0.4
98.91859	0.1
101.02431	0.1
115.34351	0.1
116.92892	0.1
135.04536	0.1
140.61473	0.1
164.98651	0.1
173.04645	0.1
179.49615	0.1
191.05615	0.7
192.06006	0.1
197.11841	0.3
207.10359	0.1
209.11862	2.0
210.12166	0.7
225.11412	0.2
227.12875	0.3
228.13162	0.1
253.09410	0.2
273.17346	0.1
335.01434	0.1
734.27411	0.2
734.38513	0.2
735.29492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33363	0.1
52.81134	0.1
53.17705	0.1
61.98830	100.0
62.98554	0.1
63.96012	0.1
69.27634	1.0
73.05457	0.1
91.45834	0.1
103.19382	0.1
111.93317	0.1
158.38715	0.1
209.11916	0.2
734.29639	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	733.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73209	0.2
59.01380	2.2
61.98831	60.3
71.01366	1.9
73.02942	0.6
75.00881	0.3
77.75319	0.3
79.95754	0.4
80.02689	1.1
80.96504	1.8
81.03458	0.9
82.95409	0.3
83.01392	0.3
83.05022	3.6
84.02183	0.4
85.02966	0.8
87.00867	0.5
89.02447	1.4
90.41714	0.2
93.03450	1.3
94.98100	0.4
95.05022	0.5
96.96015	3.2
97.02940	0.4
99.00886	0.4
101.02455	1.5
109.06567	0.5
111.04543	0.4
113.02462	0.7
121.22240	0.3
122.97534	0.2
123.08172	0.3
125.06055	0.5
125.09745	1.6
127.04058	0.3
135.04498	0.3
135.08170	0.3
142.71136	0.2
152.98610	0.3
161.04553	0.8
163.11302	2.9
164.98639	0.5
165.12810	2.0
171.10306	0.8
173.04626	0.7
179.05589	0.3
181.12413	0.5
187.09763	0.7
191.05611	4.9
191.10834	0.8
201.11449	0.5
207.10269	0.7
209.11821	100.0
210.12154	6.7
211.13322	0.7
215.07120	0.6
225.00839	0.7
225.11369	0.6
227.03273	0.3
227.12889	13.5
228.13211	1.0
229.08809	0.4
235.08199	1.7
253.09305	4.5
254.09679	0.3
270.30023	0.3
391.29984	0.3
401.22888	0.4
445.20801	2.8
474.56833	0.3
637.32343	0.7
638.32098	0.4
655.33136	0.6
673.33081	0.3
733.28540	2.8
733.41138	1.3
734.28894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73741	0.6
59.01382	4.1
61.98839	1.6
65.03962	2.0
67.01904	4.1
68.99818	15.0
69.03439	0.7
71.01389	4.3
71.56187	1.0
72.99326	0.9
79.95742	0.7
81.03469	1.1
83.01397	1.0
85.02965	2.2
87.00890	2.5
89.02457	1.7
91.01884	0.9
91.05530	4.1
93.03462	83.2
94.03802	2.4
95.01387	1.8
96.96019	30.6
97.02971	0.9
98.95599	7.9
98.96349	1.3
99.04484	0.8
101.02458	2.5
101.04002	0.7
107.01405	1.9
107.05038	22.3
108.02186	5.6
109.03006	3.4
111.00886	2.5
111.04552	1.1
113.02457	2.5
117.03455	1.5
119.05027	22.4
120.05335	0.7
121.02953	4.8
122.03783	4.7
123.00881	1.7
123.04549	10.9
125.02518	0.7
127.72406	0.7
133.02936	2.0
134.03758	1.1
135.00899	1.4
135.04530	18.5
136.01688	1.1
136.04877	1.3
137.02454	37.9
137.06091	8.1
138.02902	0.8
139.04031	0.8
143.55411	0.6
145.02960	0.9
147.04564	3.2
149.02455	9.7
150.03230	33.8
151.00381	5.0
151.04015	5.4
152.01160	12.0
153.01906	5.3
161.02444	6.1
161.04527	0.7
161.05994	0.9
163.04016	32.9
164.04576	1.6
164.81982	0.7
165.05576	33.8
166.02728	5.9
166.05910	1.5
167.03497	31.6
168.03758	1.1
173.04561	0.9
177.05498	1.3
179.03513	2.8
179.07112	2.0
180.04266	2.7
181.05063	19.8
181.06573	1.3
191.05614	12.6
192.05872	0.8
194.02208	4.2
195.02936	2.7
195.06630	14.6
205.05113	1.3
207.02992	100.0
208.03424	4.8
209.04550	20.6
221.04530	0.9
223.06209	1.3
239.05540	1.9
255.04999	3.6
256.07498	1.2
269.06656	7.7
311.07657	3.2
314.07956	0.8
315.08691	2.1
345.09814	2.7
363.10825	19.3
364.11246	1.8
389.03976	0.9
405.12027	2.1
449.14334	3.7
461.10907	1.6
465.14041	1.4
492.12729	2.1
493.13593	21.6
494.13779	2.2
507.15024	1.5
525.16003	1.3
547.14435	1.7
553.55579	0.8
571.20251	0.9
573.37433	1.0
641.18842	2.8
653.18787	0.9
671.19885	3.0
689.20831	12.5
690.21100	2.0
733.20325	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98710	0.7
53.49715	0.8
59.01385	5.4
64.94722	0.7
65.03963	2.1
67.01897	3.4
68.99815	13.5
71.01389	5.2
71.56238	1.0
72.99271	1.0
79.95692	0.8
81.03480	1.0
85.02945	2.5
87.00870	2.1
87.61976	0.7
89.02436	1.4
91.01900	1.9
91.05538	3.8
93.03463	90.3
94.03784	2.5
95.01380	1.7
95.04971	0.9
96.96014	17.2
98.95598	5.3
98.96462	0.9
99.04529	0.8
101.02464	2.1
104.55278	0.8
105.03483	0.9
107.01356	1.6
107.05043	24.6
108.02178	6.1
109.02982	3.6
109.06639	0.9
111.00884	2.2
111.04531	1.1
113.02460	1.6
117.03477	1.1
119.05029	22.5
120.05332	1.0
121.02958	6.5
122.03723	6.0
123.00921	1.6
123.04528	10.2
125.02374	0.9
129.96265	0.8
133.02953	2.1
134.03745	1.6
135.00938	1.7
135.04532	21.4
136.04938	0.7
137.02455	41.0
137.06082	10.4
138.02765	1.1
145.02963	1.4
147.04518	1.9
149.02451	9.7
149.06139	1.0
150.03239	39.1
151.00328	5.8
151.04002	5.7
151.65152	0.8
152.01155	11.0
153.01927	4.7
154.16866	0.9
161.02492	6.0
161.04527	0.8
163.04012	33.5
164.04553	1.7
165.05574	38.2
166.02719	6.2
166.05896	1.2
167.03508	31.8
168.03789	1.5
173.04556	2.4
177.05489	1.0
178.02664	1.0
179.03468	2.3
179.07123	2.2
180.04254	2.8
181.05049	19.5
191.05624	14.1
193.05052	1.2
194.02187	4.7
195.02936	1.9
195.06616	14.2
205.04988	1.7
207.02991	100.0
208.03337	4.8
209.04559	20.0
210.04883	1.7
221.04436	0.9
223.05991	1.0
239.05612	2.0
255.05110	2.5
256.07498	1.3
269.06689	8.4
271.09912	1.1
311.07678	2.7
315.08936	4.3
345.09973	2.5
359.35568	0.7
363.10886	22.8
364.11395	2.0
405.11810	2.7
444.52063	0.8
449.14713	1.8
456.84064	0.8
461.10464	2.4
465.14047	2.0
492.12793	1.5
493.13519	20.0
494.13882	2.2
507.14938	1.8
525.16608	0.9
531.15045	0.8
547.14789	2.1
551.13782	1.1
641.18927	2.1
671.20319	2.0
689.20789	11.2
690.21814	1.6
733.20587	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	732.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98830	100.0
62.98516	0.3
71.01378	0.2
71.08857	0.3
73.02971	0.1
75.00896	0.3
85.02944	0.3
88.98828	0.2
93.67406	0.1
96.96021	0.6
100.17101	0.1
101.02455	0.2
109.06609	0.6
111.00888	0.2
116.92867	0.4
146.62817	0.1
149.03456	0.1
161.04515	0.2
163.11258	0.3
164.11687	0.1
164.37682	0.1
171.10327	0.3
191.05635	0.6
207.10312	0.9
208.10706	0.3
209.11826	2.0
210.12212	0.6
225.11267	0.7
226.11710	0.2
227.12924	0.4
237.15065	0.2
253.09401	0.2
297.06235	0.2
316.84937	0.1
377.94089	0.2
636.31384	0.5
654.32214	0.4
672.33643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.3
61.98830	100.0
62.98529	0.2
64.56773	0.1
68.65292	0.1
69.33266	0.6
69.33674	0.2
71.01413	0.1
74.37345	0.1
85.02975	0.1
99.00873	0.1
101.02509	0.1
109.06580	0.2
112.18406	0.1
113.02507	0.1
132.63805	0.1
163.11322	0.1
207.10283	0.5
208.10611	0.1
209.11804	0.1
225.11362	0.2
236.95547	0.1
289.72592	0.1
326.69287	0.1
333.85214	0.1
499.92999	0.1
522.29980	0.1
527.31879	0.1
651.30060	0.1
652.30475	0.2
653.30957	0.1
669.31219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86897	0.1
69.36722	1.0
75.15306	0.1
93.03474	0.5
99.83159	0.1
101.02430	0.2
109.02991	0.2
112.95293	0.1
117.03480	0.4
119.05031	95.9
120.05361	3.6
129.32523	0.1
143.52617	0.1
145.02945	0.2
163.04012	100.0
164.04350	4.5
191.05600	0.3
205.05087	0.4
325.09274	12.9
326.09570	1.2
370.43716	0.1
463.40924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33452	1.8
57.03445	4.4
59.01383	27.8
61.98815	5.6
68.99554	2.6
69.03419	2.7
69.17212	12.5
69.17636	6.0
71.01388	14.1
72.99320	2.2
73.02937	4.4
81.03462	3.3
83.04993	4.4
85.02945	6.1
87.00871	3.8
88.98795	4.6
89.02424	5.7
93.03441	5.7
95.01373	2.4
95.05016	5.2
96.96003	17.4
97.02960	14.7
97.06564	3.4
99.00870	9.0
99.04539	1.8
101.02455	10.3
101.06195	1.7
107.05022	2.3
109.06592	35.7
110.03761	3.1
113.02448	6.7
121.02960	2.8
121.06563	1.8
123.08151	2.4
125.02445	2.3
125.09743	8.6
133.02959	2.8
135.04533	4.8
135.08128	7.8
142.02698	3.3
145.04977	2.0
161.02397	3.1
161.04552	5.2
161.09697	3.2
163.10057	2.2
163.11316	25.6
171.10283	2.6
173.04530	3.3
179.03439	3.1
181.12352	15.3
185.11789	5.6
185.89476	1.8
189.09184	2.1
191.05627	19.7
191.14476	1.8
196.65137	1.9
197.11746	4.5
201.11296	4.3
207.10266	100.0
208.10562	5.1
209.11787	12.8
211.13402	4.3
217.00311	3.6
221.11789	2.2
223.13361	2.2
225.11324	78.1
226.11638	5.9
227.03882	2.0
227.12868	2.6
235.08162	3.3
235.13257	2.1
237.11307	2.5
243.12312	4.0
249.42065	1.8
253.09372	9.1
263.12744	3.6
299.01797	2.3
314.80447	2.0
327.23587	2.0
345.24393	3.9
353.21252	2.0
371.22186	8.3
389.23456	18.6
390.23685	3.3
397.20264	2.6
407.24170	6.7
415.20886	3.8
430.09320	1.9
443.19138	2.7
461.20282	19.0
597.29364	2.3
607.31586	13.6
608.31256	2.3
625.29309	15.4
626.29871	2.3
633.29114	3.1
651.30280	40.6
652.30231	9.3
669.31244	63.8
670.31793	13.6
727.24786	2.0
729.33875	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	731.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
61.98806	0.5
65.38879	0.3
66.60278	0.3
71.65028	0.2
75.00869	0.4
78.95904	2.5
79.95745	3.5
81.77111	0.3
82.95426	0.4
85.02953	0.8
96.96010	100.0
96.97001	2.5
97.95924	0.3
117.03474	0.3
119.05064	0.3
134.89467	1.5
145.02977	0.8
165.52106	0.3
177.20345	0.3
191.05498	0.3
213.26871	0.3
279.11517	0.4
381.61298	0.3
462.90158	0.3
607.53662	0.3
633.37872	0.8
731.39716	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	727.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.8
59.01381	25.2
60.25230	1.8
61.98831	8.5
69.03461	2.7
71.01395	12.0
71.55882	2.3
73.02951	3.2
76.62763	1.8
83.05029	2.7
85.02934	3.4
87.00885	3.0
89.02442	5.0
96.96009	18.8
97.02951	8.7
101.02441	7.1
107.05007	2.1
109.06586	28.4
111.08199	2.3
113.02451	4.8
115.45621	1.9
116.92838	8.8
119.03541	2.9
125.09721	4.2
135.08147	4.1
142.02664	3.8
149.09689	2.3
161.04556	2.3
161.09726	3.9
163.11279	13.9
167.10733	4.5
169.12404	2.1
171.10210	2.3
179.14372	3.4
181.12317	4.3
191.05629	2.7
195.13907	14.0
197.11797	2.3
199.09799	2.9
199.41487	1.9
201.11307	3.0
205.12323	14.1
207.10246	66.5
208.10530	4.3
209.11916	10.9
223.13387	100.0
224.13693	5.4
225.11319	28.1
235.08159	8.0
249.14909	2.6
253.09256	13.3
283.19077	3.3
304.12070	1.9
338.47607	2.1
385.23898	2.8
395.22269	10.2
396.22861	2.7
403.24841	4.0
413.23300	18.4
417.26294	8.8
431.24323	6.0
443.18887	5.4
459.22534	12.5
461.20175	8.5
621.33179	3.4
631.31067	5.0
649.32404	40.9
650.32599	9.3
667.33258	45.8
668.33313	7.5
727.38184	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	727.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22316	2.6
57.03450	3.2
59.01380	16.6
61.98825	6.0
67.01909	3.5
71.01389	14.6
71.55064	2.6
71.55499	2.6
72.68301	3.1
73.02951	4.3
79.95721	4.6
83.05021	3.3
85.02953	11.8
87.00877	8.1
88.98788	3.1
89.02470	6.5
93.03456	24.9
96.96017	35.5
97.02981	3.9
101.02461	9.3
109.02991	3.5
111.00890	32.8
112.01228	6.6
113.02470	4.7
132.08232	2.6
135.04553	17.7
136.22366	2.5
137.02483	4.5
137.17671	2.6
160.01637	7.8
161.02478	2.8
161.04617	4.5
171.10310	3.3
173.00851	4.0
173.04614	13.3
173.05986	2.6
175.03946	5.6
177.01770	2.8
179.03479	5.4
179.05634	4.5
191.05605	57.8
192.05995	2.9
201.11362	19.1
205.05087	5.0
209.11821	100.0
210.12233	8.9
227.12830	24.1
235.08279	9.3
253.09282	16.7
256.99680	7.9
287.34006	2.6
322.49042	2.5
371.14597	4.6
397.06802	2.8
419.19357	3.4
437.20142	4.1
445.20871	17.6
446.20956	3.1
449.14764	9.2
450.14764	6.1
451.15353	3.1
463.21893	3.5
468.15845	3.0
535.21869	5.2
572.26501	3.0
627.30463	3.2
629.31116	3.7
637.32477	3.4
667.39136	5.6
697.25018	4.1
709.24036	5.1
727.22986	6.8
727.32788	27.1
728.34393	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	725.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
59.01382	7.6
61.98832	7.2
63.10485	0.6
71.01384	5.7
71.55164	0.9
71.64296	0.8
85.02947	1.3
87.00871	1.2
89.02437	2.1
93.03459	0.7
94.49175	0.8
95.05035	1.6
96.96030	5.6
97.06598	5.4
101.02459	3.3
113.02429	2.3
149.04808	0.7
149.09648	0.8
151.11278	15.7
152.11591	1.0
161.04625	0.9
169.12344	45.3
170.12660	3.1
171.10243	0.8
191.05598	1.0
195.10252	2.2
195.13910	5.3
209.11832	1.6
213.11307	6.5
223.13373	3.1
235.08284	1.3
253.09187	3.3
275.20184	2.7
293.21234	20.9
294.21594	2.6
377.15146	0.8
415.28555	4.3
431.19031	1.3
449.20145	2.4
483.31192	0.7
725.41180	100.0
726.41498	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	725.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03439	2.5
58.00597	1.4
58.21019	0.6
59.01381	37.9
61.98822	1.4
63.36087	0.6
67.01899	0.6
69.03434	1.0
71.01382	34.3
71.55516	1.0
72.99299	2.5
73.02949	6.5
75.00852	1.0
83.01389	3.5
85.02953	21.2
87.00879	6.8
87.04510	1.8
89.02447	23.4
93.03443	3.6
95.01381	2.9
96.96011	7.8
98.95596	1.1
99.00870	2.4
101.01788	1.3
101.02447	23.9
109.02921	1.1
111.00884	1.4
111.04503	1.0
113.02456	14.7
119.03500	9.1
125.02426	1.2
131.03539	1.5
133.02936	1.1
134.03786	2.8
134.55983	0.6
135.04485	2.7
137.02409	1.1
142.06512	0.6
143.03499	2.8
143.04515	0.6
145.02884	0.7
149.06116	1.1
152.01036	0.6
159.02968	1.2
161.02435	2.7
161.04553	8.7
173.04550	2.7
179.03532	1.7
179.05595	7.8
191.05609	13.8
192.05946	1.3
193.04950	1.1
207.03117	1.0
256.27298	0.6
263.07730	0.7
279.10739	1.0
291.24225	0.6
300.02780	0.7
337.21753	2.6
338.22293	0.7
339.05194	0.8
353.08862	0.8
387.16653	1.1
395.25879	0.8
405.24261	1.0
425.27283	3.2
438.27628	0.6
444.19141	0.6
455.28323	1.2
507.18521	0.6
531.47290	0.6
581.31567	0.8
582.30768	0.7
599.32178	8.7
600.32483	2.2
617.33289	100.0
618.33618	20.5
635.34338	18.6
636.34479	3.7
665.35095	0.7
725.26495	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	725.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83211	2.4
59.01368	5.5
61.98829	100.0
71.01375	4.5
71.54362	4.0
83.05046	2.5
85.02985	3.4
85.04143	2.2
88.89817	2.2
95.32825	2.6
95.95539	2.4
96.96014	4.9
101.02441	4.1
103.52142	2.3
109.06551	5.6
111.00880	3.8
113.02394	3.1
115.93301	2.3
135.04480	6.1
159.04500	2.7
163.11299	4.3
171.10277	3.0
180.06697	3.3
191.05589	23.5
199.09801	2.7
207.10161	10.2
209.11841	34.2
211.13373	32.0
225.11357	7.4
227.12851	4.6
253.09180	3.9
445.20993	3.2
447.22424	3.3
533.14075	2.9
651.30243	3.9
662.32184	23.3
663.32172	4.7
669.30780	3.3
725.35138	18.5
726.35388	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	725.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15417	5.4
59.01373	20.1
61.98826	10.5
68.66284	6.0
69.18656	56.9
71.01382	22.5
78.95876	7.3
79.63966	5.2
85.02973	12.4
87.00863	9.7
93.03468	15.5
96.96031	26.7
109.06616	6.0
111.00855	8.1
121.02886	8.4
134.03738	9.5
135.04527	15.7
137.02312	6.7
171.10229	5.4
173.04533	11.8
178.02707	8.3
179.10709	8.5
188.84576	5.7
191.05624	70.9
197.11819	21.6
199.09726	6.2
207.10249	29.6
209.11844	100.0
211.13379	65.1
225.11357	27.2
227.12846	18.1
227.71669	6.3
235.08205	8.1
253.09258	8.9
449.14517	9.1
462.51590	6.5
473.32428	6.1
639.33661	11.5
687.32587	14.7
725.35333	46.3
726.35461	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	725.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21235	1.4
59.01384	11.8
61.98833	14.2
63.18767	1.4
71.01382	15.7
73.02952	1.8
75.00910	2.6
80.02695	2.1
81.03442	2.7
83.05029	6.1
84.02148	2.5
85.02984	7.9
87.00877	4.0
88.76065	1.5
89.02446	4.6
93.03461	6.3
95.05009	2.5
95.67447	1.4
96.96022	3.2
97.02944	4.8
98.19850	3.1
99.00864	9.6
101.02459	7.7
101.69118	1.4
109.02992	3.1
109.06589	13.9
111.00870	3.4
113.02412	2.4
119.05002	1.7
123.08100	1.7
125.02429	3.1
125.09748	4.6
135.04518	5.4
135.08170	2.7
137.02466	2.6
145.05193	1.6
151.80267	1.6
159.08128	1.8
161.02438	1.6
161.04555	8.8
163.11320	11.6
165.12874	2.5
171.10292	4.1
173.04526	5.9
179.03461	4.3
181.12346	8.9
182.12668	1.6
185.11826	3.6
187.07614	1.7
191.05624	47.0
191.10724	1.6
197.11806	3.8
199.09747	4.4
199.13431	6.0
207.10283	46.3
208.10442	3.4
209.11842	100.0
210.12239	7.3
215.07060	2.3
223.13470	1.6
225.11327	58.9
226.11720	3.5
227.12892	26.5
235.08231	5.7
243.12354	8.7
249.11288	2.7
253.09357	11.8
275.09439	1.8
280.58292	1.6
289.18179	2.2
299.15094	1.7
353.08737	4.8
391.21213	1.7
399.21829	3.6
417.22720	3.9
443.18866	3.5
461.20428	18.0
461.26950	2.4
479.21310	5.3
494.04587	1.5
625.28522	1.7
635.30688	13.6
636.31238	2.1
645.29077	2.1
651.30194	2.3
653.31934	15.3
654.31671	3.3
669.31354	2.8
670.30951	1.6
671.32837	21.6
672.33020	5.1
689.34088	16.2
690.34106	2.4
707.30670	3.6
725.33209	3.0
734.11127	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	13.9
59.01381	80.2
59.53679	11.5
61.98822	45.2
69.79547	52.2
69.79969	16.9
71.01374	47.5
71.70284	13.3
77.86443	12.4
85.02954	14.8
96.95999	35.0
101.02469	14.8
109.06563	15.0
138.22389	14.3
142.62334	13.8
160.14430	11.5
160.97975	12.9
161.02498	18.4
163.11264	14.1
171.10263	28.0
191.05606	28.2
207.10223	41.7
209.11792	40.5
211.13412	100.0
225.11282	28.3
253.09528	22.2
447.22421	16.1
596.34784	18.1
610.51202	13.7
637.32050	57.1
638.32281	14.6
655.33136	58.7
687.20917	14.1
723.34015	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36985	0.2
55.62170	0.1
57.03448	0.4
57.98461	0.1
59.01377	1.5
60.99316	0.2
61.98830	0.2
67.01890	0.4
68.99833	0.2
71.01376	0.9
71.54787	0.3
76.37707	0.2
79.95763	0.3
81.03478	0.3
82.51411	0.1
83.05046	0.2
85.02953	5.8
87.00883	1.6
93.03465	3.5
96.96018	5.7
96.96488	0.1
97.02975	0.2
99.00886	0.2
99.04524	0.5
101.02434	1.2
109.02949	0.5
111.04556	0.9
113.02450	0.3
117.03442	0.3
119.05040	0.8
121.02969	0.2
127.04030	1.3
129.01836	0.2
133.02975	0.6
135.04510	0.6
137.02461	0.3
140.11060	0.2
145.02971	1.2
155.03503	0.2
161.02428	1.9
161.04591	0.5
163.04031	1.5
165.05574	0.2
171.03001	0.4
173.04524	2.1
179.03488	0.2
191.05621	100.0
192.05957	4.0
195.06577	0.3
217.01399	0.3
248.06326	0.2
335.07730	0.2
337.09302	27.6
338.09589	2.3
353.08374	0.2
401.11176	0.8
531.07806	0.9
561.12244	0.2
577.75024	0.2
664.69562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89504	0.6
53.11605	0.7
54.85905	0.8
56.20058	0.8
59.01383	8.4
59.83580	0.6
60.03599	0.6
63.02399	2.2
64.81683	0.7
65.00325	6.0
71.01395	2.3
79.95732	3.8
80.96502	1.0
83.01379	4.6
85.02951	2.0
86.18168	0.7
87.00896	1.2
93.03461	7.8
94.03763	1.0
95.95189	0.8
96.96013	100.0
97.02940	0.9
98.95591	6.2
99.00871	1.0
107.01387	12.1
111.00900	1.7
111.04488	0.8
119.05028	27.1
120.05374	1.7
125.02451	1.9
136.98807	0.8
137.02370	1.2
145.02965	1.1
151.00375	43.5
152.00714	2.8
163.00380	1.0
165.01936	3.1
167.03481	2.2
169.01482	1.4
171.10228	1.8
172.05319	0.7
173.04543	1.2
173.06146	0.9
177.01904	5.6
181.12288	0.9
185.06024	1.1
186.03255	1.1
187.04042	0.9
191.05609	9.2
199.07765	0.8
199.09766	0.7
199.13411	1.6
201.11214	0.9
207.10188	2.1
213.09410	0.7
215.07140	2.7
225.11252	3.7
227.07138	1.2
227.12848	3.7
229.74870	0.9
240.04233	0.8
241.00275	1.5
241.08653	0.9
255.61613	0.7
269.08228	1.2
271.06116	72.4
272.06454	6.8
273.07019	3.5
289.07504	2.0
307.08694	4.4
313.07245	2.9
313.63040	0.8
314.07797	1.2
315.08643	1.0
325.07037	1.8
379.10956	1.5
443.18488	1.6
450.10983	1.0
451.12735	26.3
452.12994	2.9
461.20038	1.2
487.17426	2.1
501.31909	1.9
531.16595	4.7
633.30872	1.4
661.31110	1.2
687.32166	1.8
705.32617	1.9
723.19385	69.2
724.19769	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	721.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.4
57.52133	1.1
59.01381	10.1
61.98830	4.3
69.03478	0.9
71.01382	78.0
71.05039	1.3
71.55744	1.7
72.99308	1.3
73.02947	4.8
74.87424	1.1
75.00896	1.1
79.95737	2.0
80.02683	1.9
80.96538	5.6
81.03477	4.4
82.96126	1.6
83.01390	1.2
83.05026	8.2
84.02160	1.7
85.02954	2.6
87.00875	3.4
89.02453	2.7
93.03459	2.3
95.01389	1.3
95.05037	2.4
96.96015	3.1
97.02949	4.7
97.06573	1.7
99.00893	3.5
99.04553	1.5
101.02458	6.4
107.14547	1.1
109.06595	13.3
110.89183	1.2
111.00877	10.8
113.02444	3.3
120.18589	1.2
125.09724	3.9
127.11300	1.3
133.02979	2.4
135.04514	1.7
135.08144	1.5
145.05070	1.9
149.30786	1.0
155.10693	1.3
161.04552	4.6
161.09821	1.2
163.11292	10.8
164.98674	1.2
165.12843	2.8
169.12399	1.3
171.10269	25.2
173.04504	2.7
181.12347	5.2
185.11815	4.1
189.09290	1.7
191.05582	11.5
197.11794	1.1
199.09761	1.1
199.13426	2.6
201.11287	8.3
207.10262	37.0
208.10503	2.4
209.11821	100.0
210.12216	5.8
211.13399	2.1
225.11334	35.5
225.13559	2.0
226.11603	1.7
227.01152	1.1
227.12888	12.7
235.08218	4.8
243.12383	4.2
251.12953	1.2
253.09221	10.7
417.22247	1.3
443.19061	2.0
454.24939	1.1
461.20319	5.4
494.72061	1.1
515.30078	3.6
516.30609	1.1
564.15070	3.2
593.43982	1.2
624.20575	1.3
635.31598	1.5
653.31696	2.5
654.32648	1.3
671.33197	6.0
672.33508	2.5
689.34174	3.4
721.29950	7.3
721.36267	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55330	1.5
57.03445	5.4
59.01379	19.5
61.98831	11.4
67.83199	1.5
69.03445	3.8
71.01379	19.7
71.05011	2.3
72.99288	2.4
73.02930	5.3
79.95728	2.2
80.02655	2.3
80.96500	2.3
81.03469	2.6
83.01382	3.3
83.05030	10.7
85.02952	6.9
85.55038	1.6
87.00869	5.7
87.04547	1.5
88.25480	1.5
88.98806	1.6
89.02471	9.4
93.03465	7.8
95.05035	1.8
96.96006	9.2
97.02959	5.6
97.06571	2.8
99.00877	16.4
99.04525	3.7
101.02431	12.8
107.61880	1.7
109.06590	6.3
111.00873	3.1
111.04473	1.7
113.02420	5.1
119.03392	2.0
123.08135	1.7
125.02402	2.0
125.09721	5.7
126.09358	1.5
127.11256	1.8
133.02953	4.7
135.04517	5.4
137.02454	3.1
150.92944	1.9
161.02434	5.0
161.04556	7.5
163.11278	15.9
163.54796	1.7
163.95905	1.5
164.11789	1.9
165.12883	1.9
171.10287	13.8
173.04587	8.3
173.05869	1.6
179.10777	2.9
181.12346	15.9
185.11852	2.2
191.05598	28.0
192.05937	2.7
197.11832	13.1
199.09727	5.9
199.13394	20.1
201.11359	2.9
207.10268	36.7
209.11818	100.0
210.12152	7.2
215.12877	2.4
222.96986	1.8
225.11317	57.3
226.11707	3.1
227.12938	14.1
242.71703	1.7
243.12334	12.0
253.09207	6.9
284.03317	1.9
284.19357	1.7
375.10782	1.6
461.20255	7.1
467.34381	1.6
515.28522	5.8
564.14825	6.4
627.30133	2.5
645.31720	1.9
653.31293	4.1
659.29224	3.8
671.33759	7.8
685.30829	3.9
686.31299	3.0
689.33881	97.8
690.34204	18.1
697.57526	1.8
703.31433	2.5
721.24878	2.8
721.36731	49.7
722.36920	12.4
723.59949	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46600	0.1
59.01382	1.1
60.01709	0.1
61.98833	100.0
62.98546	0.1
70.78102	0.2
71.01394	0.2
73.02946	0.1
77.72141	0.1
85.02944	0.2
96.96036	0.2
98.95619	0.1
101.02443	0.2
137.06018	0.2
144.95534	0.1
148.99113	0.1
149.20406	0.1
155.15945	0.1
191.05669	0.3
209.11903	0.3
210.12102	0.1
211.13370	0.2
227.12924	0.1
568.33771	0.4
586.35071	0.2
628.35864	1.2
629.35712	0.1
669.17218	0.1
680.43823	0.1
720.29462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.6
57.03424	2.2
58.00571	0.7
58.94081	0.7
59.01379	15.1
61.98831	12.5
66.62534	0.7
68.99830	0.8
71.01381	99.4
71.05038	1.2
71.55890	0.9
72.01743	1.8
72.99321	1.0
73.02939	2.1
75.00873	0.8
80.02663	1.9
80.96513	1.8
81.03459	3.3
83.01372	1.4
83.05029	6.1
84.02139	1.2
85.02962	3.6
87.00862	2.6
89.02442	3.5
93.03441	3.2
95.01374	1.2
95.05058	1.3
96.96012	3.8
97.02961	4.2
97.06620	1.1
99.00877	3.2
99.04511	2.6
101.02438	6.3
104.73064	0.8
107.63750	0.7
108.35440	0.8
109.06592	14.1
111.00883	2.5
111.04505	1.3
113.02447	3.0
125.02444	0.8
125.06096	1.1
125.09697	2.7
133.02913	2.3
135.04530	1.5
135.08145	2.3
137.02419	1.6
142.02721	1.6
143.03481	1.1
155.03525	1.3
155.10791	0.9
157.12415	0.8
161.02422	1.8
161.04553	6.2
161.09689	1.8
163.11292	14.1
164.89209	0.8
165.12837	2.3
169.12361	0.9
171.10268	19.1
172.10625	0.8
173.04547	2.5
179.03450	1.0
181.12389	5.1
185.11803	2.4
187.09756	0.8
189.09225	1.4
191.05606	11.1
191.10776	1.2
197.11836	1.4
199.09721	2.1
199.13333	1.8
201.11278	7.3
207.10251	37.5
208.10674	2.3
209.11824	100.0
210.12201	5.9
211.13383	1.8
215.12892	1.2
225.11314	29.7
226.11560	1.6
227.12874	11.1
235.08250	2.7
243.12343	2.3
251.12932	1.4
253.09293	9.6
273.17245	1.0
274.17624	1.0
299.15021	1.0
300.02271	1.1
357.16922	0.8
399.21741	3.1
417.22989	2.5
443.19046	0.9
454.27536	0.9
461.20276	8.3
462.20724	0.9
479.21838	0.9
564.14716	1.1
577.23169	2.1
613.08502	1.0
635.30591	2.6
653.31744	2.1
671.32867	5.3
672.33624	1.3
689.33630	4.5
721.36554	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	720.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18111	0.1
61.98829	100.0
62.98541	0.2
68.31321	0.1
69.22672	0.9
69.23087	0.2
71.01406	0.2
73.69936	0.1
80.96546	0.3
94.98130	0.2
96.96012	0.1
98.20798	0.2
139.95531	0.1
144.04623	0.1
154.17967	0.1
165.05254	0.1
179.98317	0.1
191.05611	0.3
209.11876	0.3
211.13336	0.2
212.13690	0.1
221.13168	0.1
357.98978	0.1
513.51746	0.1
546.92236	0.1
572.42487	0.1
612.26398	0.1
720.30249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01391	5.7
61.98818	1.4
69.03460	5.1
70.83208	1.5
71.01383	5.7
71.05008	2.5
73.02940	0.7
80.02671	1.1
81.03479	1.5
83.01382	1.2
83.05032	4.9
84.02181	0.8
85.02940	1.5
87.00894	0.7
89.02447	2.8
93.03493	0.8
97.06573	0.8
101.02468	4.0
113.02426	2.4
119.03488	0.6
123.08199	1.2
125.09709	3.1
134.92903	0.6
135.08235	0.6
151.11264	2.6
151.12373	0.7
153.12846	1.5
157.04973	0.6
161.09753	4.6
163.11299	3.5
165.12802	2.2
179.10788	6.0
191.05658	1.1
197.11839	76.9
198.12178	4.3
207.10199	0.9
209.11830	52.2
210.12169	2.8
223.09785	1.3
225.78490	0.7
227.12801	3.0
235.08101	0.9
241.10789	5.3
253.09274	3.2
293.53110	0.6
477.04507	0.7
477.19574	2.2
687.32318	100.0
688.32605	17.6
719.34955	36.0
720.35229	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	719.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03457	0.8
59.01381	8.7
61.98838	4.2
69.03469	1.3
70.51775	0.6
71.01385	7.9
71.54638	0.6
72.99297	0.6
73.02943	1.5
80.96513	0.8
81.03456	2.7
81.72171	0.6
83.01393	2.1
83.05019	8.8
84.02166	2.0
85.02977	3.2
87.00872	1.5
89.02456	4.5
93.03442	1.5
95.04995	1.3
96.96019	4.6
97.02962	0.7
97.06573	1.4
101.02442	7.7
109.02954	1.1
111.00903	1.4
113.02457	3.8
119.03492	1.4
125.06091	0.7
125.09740	0.9
127.11332	0.8
133.90285	0.7
134.03700	0.7
135.04515	2.0
135.08173	1.5
137.02519	0.9
139.29941	0.6
151.11305	2.0
153.12807	0.8
155.29384	0.6
161.02454	1.6
161.04547	2.4
163.04059	0.7
163.11276	5.5
165.12871	3.8
169.12344	45.0
170.12683	2.6
171.10274	1.0
173.04553	1.5
179.03491	1.2
179.05647	0.9
191.05624	10.0
191.07193	1.0
191.10794	2.6
197.11833	58.4
198.12199	3.1
205.30244	0.7
207.10315	1.1
209.11829	99.5
210.12140	6.2
210.62630	0.6
213.11278	0.8
223.47397	0.6
227.12892	7.9
231.06573	0.6
235.08208	1.7
253.09290	7.6
273.17044	1.6
299.25058	0.6
353.09119	1.1
409.86124	0.7
433.20648	1.4
469.74768	0.8
566.99811	0.7
646.61371	0.7
687.32330	52.7
688.32776	10.1
719.34979	100.0
720.35394	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	719.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
57.03460	0.9
59.01380	10.1
69.03462	1.3
70.19535	0.6
70.29315	0.6
70.30767	0.6
70.85835	1.6
71.01380	8.8
73.02950	2.5
76.01018	0.7
79.95751	0.6
81.03469	2.9
83.01379	1.5
83.05031	8.5
84.02172	2.0
85.02950	2.3
87.00878	2.1
89.02446	4.6
93.03448	1.8
95.01405	1.0
95.05048	1.2
96.96008	2.1
97.06594	1.5
99.00871	0.9
101.02437	7.1
111.00848	1.0
113.02460	3.7
119.03526	1.2
119.05056	1.3
122.31452	0.8
125.02418	0.8
125.06079	1.2
135.04535	0.8
135.08122	0.8
151.11218	3.2
153.12845	2.3
161.02464	1.2
161.04541	2.7
163.11247	6.0
165.12856	3.1
169.12334	49.4
170.12680	2.7
171.10271	1.4
179.10802	1.2
181.12387	1.1
191.05644	4.2
191.10756	2.3
197.11827	85.6
198.12155	4.5
209.11819	100.0
210.12160	6.3
223.09821	0.9
226.86002	0.7
227.12852	6.8
235.08130	1.8
253.09314	5.8
449.14584	0.8
558.47882	0.8
623.50372	0.9
669.30060	0.9
687.19806	1.5
687.32294	80.9
688.32751	16.1
719.34973	95.0
720.35223	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	719.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.5
61.98822	1.7
67.01872	5.3
68.99805	2.2
69.03123	1.6
69.03460	26.5
70.30174	3.8
71.01389	9.5
79.05525	1.8
79.95736	1.2
80.96505	1.5
81.03432	4.5
83.01368	1.5
83.05016	1.4
85.02945	6.1
87.00861	2.7
89.02429	3.4
91.01871	2.7
93.03458	12.0
95.01359	4.3
95.05029	10.8
95.86003	1.2
96.95979	5.6
97.02948	18.2
98.19967	1.5
99.04518	2.6
101.02429	10.6
105.03427	3.0
106.04191	2.0
107.01371	2.8
107.05001	3.5
108.02174	19.1
109.02920	4.0
111.00861	3.8
113.02439	16.0
121.02972	9.7
121.06593	12.3
122.03748	11.0
123.00854	5.0
123.04528	100.0
124.01643	2.1
124.04806	3.4
125.02422	1.4
127.03991	2.1
131.04982	2.2
133.02937	2.0
134.03691	5.2
135.04527	2.7
136.01619	2.2
137.02397	4.3
139.03986	1.7
147.04503	2.4
149.01291	1.9
149.02441	19.7
149.04935	1.3
149.06078	25.4
150.03224	65.7
151.00392	12.6
151.04051	10.7
152.01166	22.0
153.01817	2.3
161.04559	2.4
163.03949	2.2
164.04749	4.1
165.05565	65.4
166.02695	15.3
166.05826	2.5
167.03493	73.1
167.07129	17.5
168.03772	1.9
171.50066	1.5
173.04538	3.9
179.03490	2.6
180.04192	5.8
181.05064	17.5
191.05612	22.6
193.05064	25.9
194.02220	8.8
194.05373	1.8
195.02979	2.3
195.06624	19.3
209.04553	76.1
210.04811	3.6
211.06032	6.6
221.04472	4.0
239.05556	9.5
256.07288	4.5
256.77502	1.3
269.04031	2.1
269.06622	24.6
270.06836	1.3
271.09659	1.7
289.11707	1.3
297.06128	1.7
311.07697	23.8
312.08029	1.6
315.08743	17.9
316.09167	2.5
329.08716	15.3
335.88196	1.4
345.09732	10.4
355.10156	3.0
357.09628	4.2
360.78027	1.3
363.10883	38.0
364.11020	4.0
387.10458	2.2
405.11740	4.8
406.11871	1.6
465.13870	2.8
479.15231	5.4
507.14807	4.6
522.13788	1.9
523.14563	56.5
524.15094	7.7
537.16003	2.0
577.15002	2.4
671.19385	5.8
701.20343	2.7
719.21722	48.3
720.22314	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	719.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98208	1.4
59.01391	9.0
61.98843	3.7
67.01888	5.9
68.99816	3.0
69.03461	27.5
71.01394	12.3
71.55231	2.3
76.90540	1.7
81.03443	3.4
85.02940	4.7
87.00874	5.1
89.02433	3.8
91.01875	2.2
93.03464	16.2
95.01384	5.0
95.05051	7.7
95.05550	1.5
96.96020	10.2
97.02951	19.2
99.04514	2.2
101.02454	7.8
105.03431	4.4
106.04232	2.4
107.01399	3.0
107.05003	4.1
108.02188	21.7
109.02940	5.6
111.00885	3.5
111.04537	2.5
113.02454	12.3
119.05045	1.9
121.02936	9.2
121.06609	14.3
122.03725	11.9
123.00905	2.6
123.04536	100.0
124.01702	1.7
124.04827	2.8
125.02457	2.9
127.03996	2.2
131.05003	2.1
133.03012	3.4
134.03702	6.4
135.04509	5.7
136.01634	3.0
137.02435	6.4
138.03172	1.7
145.02933	2.3
147.04584	3.5
149.02457	17.5
149.06104	25.1
150.03227	75.9
151.00366	12.1
151.04053	8.3
152.01166	24.8
153.01906	4.8
161.02414	4.9
161.04526	2.5
162.02682	2.0
163.04042	1.7
164.04791	3.1
165.05579	74.7
166.02742	11.6
166.05914	2.6
167.03511	81.2
167.07135	17.6
168.03830	3.5
173.04504	6.3
179.03520	3.0
180.04239	6.6
181.05054	16.4
191.05627	33.5
191.07329	2.5
193.05078	26.7
194.02209	11.2
194.05409	1.9
195.02856	2.9
195.06642	25.4
209.04558	75.8
209.83131	1.5
210.04857	2.6
211.06088	6.1
215.05461	1.8
221.04442	1.8
227.12831	2.4
239.05559	11.0
256.07336	4.4
269.06665	30.9
271.09631	2.3
296.05420	2.3
307.92178	1.6
311.07724	24.7
315.08820	16.6
316.09103	3.4
329.08722	16.4
336.78094	1.7
345.09872	8.1
351.06998	2.4
353.06738	1.7
355.10297	1.8
357.09714	4.4
363.10864	36.8
364.11191	3.5
387.10757	3.9
405.11917	4.4
421.03754	1.7
465.14337	1.9
479.15576	7.0
507.15234	4.4
523.14569	65.2
524.14709	6.7
537.16559	3.6
548.19727	1.9
577.15845	3.0
671.19830	2.8
701.20496	4.1
719.21924	48.2
720.22174	7.7
743.30902	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	719.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71164	0.8
59.01395	5.3
70.08370	2.9
71.01379	4.3
89.02451	7.9
101.02429	2.7
113.02469	3.0
119.03512	3.6
161.04466	1.5
163.74983	0.9
179.05539	4.9
182.13344	0.8
191.05626	1.0
208.08441	1.0
215.03279	4.0
291.85013	0.9
341.10901	18.9
377.08560	100.0
378.09027	5.6
693.07007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48434	0.3
59.01374	0.6
66.51514	0.3
69.53861	2.0
71.01389	2.2
72.99329	0.3
73.02944	0.8
79.70847	0.3
85.02959	2.1
88.38750	0.3
89.02444	0.3
92.12367	0.3
93.03445	0.3
95.01382	1.3
96.96002	0.4
98.19797	0.5
100.68710	0.3
101.02442	1.0
108.02177	56.5
109.02983	16.1
110.03273	0.5
113.02439	1.1
121.02958	0.8
121.43746	0.3
123.00883	1.2
123.04541	0.7
125.88009	0.3
133.02969	0.5
134.03694	0.3
135.04572	0.4
151.04004	1.1
152.01155	46.6
153.01947	20.2
154.02298	0.7
161.02408	0.3
161.61322	0.3
163.04005	1.1
164.04272	0.3
165.01927	1.5
191.05591	0.5
195.02913	0.4
208.03519	0.3
225.04121	0.4
315.07214	100.0
316.07553	7.2
377.14728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46620	0.1
58.04263	0.1
59.01367	0.3
61.98829	100.0
62.98538	0.2
71.01399	0.1
71.55479	0.1
76.96025	0.1
78.95902	0.2
96.96033	0.2
104.84529	0.1
106.40694	0.1
177.94884	0.1
191.05667	0.2
197.35396	0.1
209.11876	0.3
211.13451	0.3
225.11307	0.1
405.29495	0.1
516.78906	0.1
585.23303	0.1
718.39471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.29412	0.1
61.98830	100.0
62.98532	0.2
71.11729	0.3
78.95920	0.1
90.43360	0.1
96.96024	0.1
98.97259	0.1
99.59999	0.1
111.36455	0.2
128.23378	0.2
142.98819	0.1
191.05716	0.2
196.49918	0.1
197.11920	0.4
209.11884	0.8
210.12178	0.4
211.13451	0.3
246.65025	0.1
255.23300	0.2
651.50519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62761	0.5
58.57708	0.5
59.01381	2.3
61.98826	5.8
70.29211	1.7
71.01395	2.4
73.02928	0.6
80.02683	0.5
81.03477	0.8
83.05021	2.6
85.02939	0.5
87.00848	1.0
89.02481	1.2
96.96021	0.8
98.19990	0.8
101.02447	2.1
113.02470	0.6
135.08173	0.6
142.62096	0.4
161.04579	0.8
163.11290	2.2
165.12834	1.1
171.10248	0.6
183.13890	5.8
191.10660	0.8
193.12328	2.1
209.11826	58.9
210.12215	3.4
211.13391	100.0
212.13727	7.4
225.92802	0.6
227.12909	9.3
235.08192	3.2
249.14915	0.6
253.09286	5.5
302.06223	0.5
445.20847	1.4
447.22400	9.1
448.22678	0.9
473.32825	0.7
621.32593	1.0
639.33435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
61.98830	1.4
64.50426	1.0
69.32472	7.7
71.01385	5.0
71.05017	3.4
73.02950	2.5
78.66143	0.9
78.95892	1.4
85.02975	1.1
87.00903	1.1
89.02451	1.7
95.01296	1.0
97.02937	2.4
97.06568	1.4
99.00884	12.1
101.02439	3.9
109.06519	1.0
113.02448	2.1
123.08102	1.1
125.09700	4.2
160.91560	1.0
163.11308	6.6
171.10274	3.2
181.12354	10.8
182.12709	1.0
197.11726	1.0
199.13390	11.1
207.10252	22.1
210.23532	1.0
225.11310	33.3
226.11592	2.2
235.08215	1.4
243.12341	5.6
253.09178	2.2
255.23288	80.0
256.23572	6.6
293.21317	1.8
302.25217	0.9
311.22217	2.7
325.53180	1.1
461.20117	2.0
607.00903	1.1
699.42999	4.5
700.43390	1.5
717.44312	100.0
718.44690	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	717.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68909	0.3
59.01380	2.6
59.44099	0.3
61.98834	2.8
68.25838	0.4
69.03436	0.5
70.15624	0.3
71.01372	2.3
80.02669	0.9
81.03473	0.9
83.05032	4.6
85.00552	0.4
85.02959	0.5
87.00864	0.4
89.02457	1.3
96.96021	9.6
101.02449	2.1
113.02449	1.2
119.03532	0.7
135.08160	0.8
136.96194	0.4
143.03419	0.4
157.25713	0.4
161.04550	0.9
163.11311	3.1
165.12851	2.6
171.10306	0.9
179.05673	0.7
181.12323	0.8
183.13950	3.4
191.05548	0.5
191.10794	1.2
193.12309	0.7
209.11829	100.0
210.12158	5.5
211.13391	57.8
212.13728	3.4
227.12878	12.5
228.13159	0.9
235.08238	2.3
251.28473	0.4
253.09286	7.1
254.09691	0.4
385.50171	0.5
429.21033	0.6
445.20731	5.0
446.20886	0.6
446.49496	0.4
447.22174	2.0
463.21933	0.6
479.47711	0.5
621.32855	1.0
639.33832	1.5
649.68994	0.5
744.45258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03435	1.2
58.00591	0.5
59.01385	7.4
65.03963	1.7
67.01902	1.5
68.99544	0.2
68.99819	10.2
69.03459	1.1
69.51111	2.6
71.01387	11.3
72.99303	0.7
73.02951	3.1
83.01399	2.6
83.59877	0.4
85.02949	5.9
87.00867	1.0
89.02451	2.3
91.05541	3.6
93.03464	78.1
94.03786	1.9
95.01382	1.0
95.05062	0.6
96.96014	1.2
97.02972	0.7
99.00886	1.3
101.02451	8.5
102.02711	0.4
105.03446	0.5
107.05037	17.2
108.02188	0.5
108.05366	0.8
109.02959	0.8
109.06609	0.7
111.00892	1.1
111.04543	0.5
112.01659	0.4
113.02460	5.1
117.03452	0.9
119.03597	0.8
119.05032	19.8
119.42250	0.3
120.05334	0.8
121.02945	2.0
123.04560	0.4
124.01744	0.4
125.02450	0.5
133.02966	0.7
134.03754	0.8
135.00879	1.0
135.04535	14.3
136.04860	0.7
137.02452	33.3
137.06087	12.2
138.02766	0.9
143.03557	0.6
145.02962	0.7
151.03973	0.6
161.02473	3.8
161.04555	0.8
163.04019	27.0
164.04350	1.0
171.60059	0.4
177.05553	0.5
179.03510	0.9
181.05078	12.9
181.11777	0.4
182.05518	0.4
185.11804	0.6
191.05652	1.9
195.06616	0.4
205.05121	0.7
207.02991	100.0
208.03314	4.2
209.11736	0.7
225.04034	0.9
235.06349	0.4
249.31804	0.4
285.17096	1.3
329.16031	11.8
330.16306	1.0
333.20734	0.8
343.10080	0.9
347.17130	19.7
348.17480	1.6
361.18604	1.4
389.18100	5.5
390.18549	0.8
403.79062	0.4
449.20322	0.7
491.21497	0.5
511.21774	1.6
673.27161	24.6
674.27441	4.5
717.26208	19.6
718.26648	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	717.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11135	0.2
57.03444	0.5
58.18073	0.2
59.01377	1.2
60.99315	1.2
67.01889	3.0
69.03456	1.0
70.59396	0.4
70.59767	0.4
71.01379	1.8
71.59558	0.2
72.99342	0.2
73.02937	0.3
81.03455	0.7
83.05019	0.5
85.02946	4.4
87.00871	5.2
89.02440	0.5
93.03458	19.8
94.03809	0.4
96.96003	0.9
99.00848	0.3
99.04523	0.7
101.02449	0.6
109.02962	0.5
111.04511	3.2
113.02462	0.6
117.03450	0.2
119.05026	5.3
123.04495	0.2
127.03997	1.3
129.01939	0.6
135.04504	0.3
137.02420	0.3
143.03513	0.2
145.02933	1.4
149.04495	0.2
155.03484	0.7
161.02446	0.3
163.04004	6.1
164.04465	0.3
164.25035	0.2
171.02998	0.3
173.04536	6.5
174.04915	0.3
179.03352	0.2
191.05605	100.0
192.05942	3.2
193.05020	0.3
335.83350	0.2
337.09280	35.1
338.09555	2.8
454.22748	0.2
587.26776	0.2
717.24774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04446	0.3
57.03447	0.7
59.01379	3.7
59.54026	0.3
61.98824	0.7
69.03443	3.5
70.44067	0.9
71.01385	5.6
71.05031	1.2
72.11031	0.4
72.99305	0.8
73.02936	0.6
75.00872	2.3
78.95898	0.6
81.03455	0.4
83.01378	0.5
83.05048	0.9
85.02959	3.1
87.00892	1.4
89.02444	2.5
95.01440	0.8
96.95992	0.4
97.02972	0.7
97.06559	0.8
99.00880	1.7
99.36590	0.3
101.02428	2.6
108.02122	0.4
113.02438	2.8
115.00324	0.4
117.01971	0.6
119.03466	0.6
121.39367	0.4
123.08183	0.9
125.09735	1.8
127.24235	0.4
137.09740	0.5
143.03461	0.5
147.42595	0.4
151.11320	2.5
153.12836	0.7
160.59901	0.4
161.04602	1.0
161.09723	3.2
175.02484	0.4
179.10771	5.6
180.11154	0.6
197.11821	31.9
198.12183	1.6
209.11812	6.4
223.09705	0.8
226.59183	0.4
227.12875	0.4
229.95320	0.4
231.94418	0.4
236.92268	0.4
241.10809	1.6
241.63591	0.4
253.09302	2.1
255.23289	66.8
256.23642	5.5
330.01666	0.4
459.18784	0.5
460.25342	0.4
477.19742	1.1
697.41937	0.7
715.42712	100.0
716.43048	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	715.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46968	0.5
59.01368	2.1
61.98826	3.2
64.79963	0.4
66.64776	0.4
71.01377	2.2
71.55600	0.7
78.95908	0.6
81.03456	0.5
83.05031	2.6
85.02934	0.6
89.02422	1.4
95.05042	0.7
96.96024	0.8
101.02431	1.3
109.06586	0.9
114.20906	0.4
125.09731	1.0
133.02899	0.4
138.93657	0.4
161.02522	0.9
161.04543	1.1
163.11298	2.1
165.12872	1.6
171.10246	0.8
173.04524	0.5
175.72339	0.4
177.23535	0.5
191.05585	1.6
191.10892	0.6
197.11743	0.6
207.10263	2.0
209.11819	100.0
210.12166	6.3
211.13417	3.3
225.11362	0.9
226.28796	0.5
227.12881	8.1
235.08212	1.0
253.09283	4.6
255.23216	0.6
401.23447	0.7
420.24115	0.5
445.20752	2.7
446.21234	0.7
487.34195	0.7
598.82898	0.5
607.42145	0.5
637.32343	1.5
655.33557	1.3
675.53394	0.5
715.38031	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46617	1.0
57.03449	2.7
59.01379	24.4
61.98829	4.9
65.85108	0.9
69.03463	2.1
71.01384	9.7
72.99345	1.4
73.02954	1.1
76.57124	1.0
80.02696	1.8
80.96557	0.9
81.03465	2.7
83.01377	2.3
83.05020	4.1
85.02970	4.1
87.00861	1.9
89.02441	4.5
93.03455	2.1
95.01376	1.5
95.05032	2.2
96.96019	4.2
97.02946	7.7
97.06593	4.2
98.20643	2.8
99.00900	2.3
101.02437	8.5
109.02975	1.3
109.06594	36.1
111.00862	1.3
111.04496	2.2
113.02455	4.5
119.03471	1.4
121.06596	2.7
123.08171	1.8
125.09714	22.2
133.02856	1.1
135.08160	3.5
136.05376	1.9
142.02740	2.5
144.58742	0.9
145.04988	1.4
161.02461	2.1
161.04544	3.9
161.09734	1.3
163.11276	18.2
171.10271	2.7
179.05621	1.0
181.12321	4.2
183.13892	6.1
185.11874	2.6
187.09738	11.7
189.09247	1.6
191.05585	6.5
193.12302	2.3
197.11751	2.9
199.13467	1.2
207.10248	77.6
208.10629	5.2
209.11861	7.2
211.13379	100.0
212.13751	6.2
225.11319	35.8
226.11659	2.8
235.08224	5.8
253.09247	12.8
291.19675	1.7
299.14841	2.2
309.20569	2.8
329.24814	1.5
339.23300	2.5
357.24286	1.8
373.23776	3.5
381.80219	1.0
383.22260	6.1
391.24866	2.8
396.21515	2.1
401.23297	13.9
402.23438	1.6
419.24292	4.5
423.18591	1.8
443.19055	4.1
447.22498	3.3
461.20297	11.7
462.20529	1.8
594.73096	1.2
609.32581	4.0
610.32648	1.2
619.31238	3.7
637.32233	44.9
638.32446	8.6
638.98230	1.1
655.33325	47.9
656.33331	9.2
715.38837	23.4
716.39417	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97380	0.6
54.15725	0.7
57.03444	0.9
58.00594	1.4
59.01384	19.6
61.98829	0.7
65.03962	1.4
67.01889	1.5
68.99816	9.3
69.03461	1.6
69.40746	5.1
71.00996	1.1
71.01385	16.1
72.99309	0.8
73.02938	1.8
81.03474	0.8
83.01387	1.2
85.02942	4.1
87.00872	1.2
89.02447	11.8
91.05544	3.6
93.03463	78.1
94.03786	1.9
95.01408	1.4
96.96018	1.4
101.02435	8.6
107.05039	14.4
111.00847	1.1
111.04534	1.3
113.02450	6.6
117.03475	1.0
119.03593	4.7
119.05035	21.1
120.05352	1.0
121.02950	2.1
123.04553	3.5
125.02549	0.6
135.00775	0.7
135.04536	14.1
137.02454	34.6
137.06081	10.9
137.84790	0.6
138.02802	0.9
145.02936	1.0
149.06093	1.0
151.04010	1.2
161.02458	3.7
161.04530	0.8
163.04013	25.0
164.04318	1.2
165.09178	2.3
179.03525	1.4
179.05595	0.7
181.05074	15.6
182.05415	1.0
189.09288	0.7
191.05647	3.8
207.02988	100.0
207.10300	1.8
208.03339	5.5
211.06010	0.9
280.50253	0.8
306.81070	0.7
327.14447	4.6
343.10446	1.2
345.15543	19.4
346.15918	1.9
387.16690	3.4
447.18735	1.1
509.20172	1.6
553.19031	3.3
557.16943	0.8
559.21692	0.7
583.80255	0.7
671.25604	24.1
672.25726	4.7
715.24493	16.0
715.36005	1.4
716.24701	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	713.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38588	0.3
69.00334	0.2
71.01392	0.2
74.59154	0.3
80.96523	0.4
83.05016	0.3
107.70511	0.3
191.05617	1.5
212.64386	0.3
275.04211	0.3
417.80148	0.3
446.57300	0.3
625.54785	0.3
677.49890	2.1
713.47382	100.0
714.47723	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	715.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61758	0.7
59.01379	7.3
61.98810	2.1
65.03954	1.5
67.01875	1.9
68.99805	11.9
69.03443	1.5
70.34363	2.7
71.01382	6.8
72.99294	1.4
73.02958	1.4
77.41064	0.8
79.95722	2.3
80.96513	1.7
82.96070	0.9
83.01382	1.1
85.02921	3.8
87.00864	1.4
89.02430	2.3
90.01430	0.7
91.05534	2.5
93.03459	75.6
94.03794	2.2
95.01347	0.9
95.05028	0.8
96.96012	64.6
99.04536	1.0
101.02435	3.6
107.05031	20.0
108.02137	2.0
109.02943	1.3
109.06526	0.7
110.09568	0.8
111.00847	1.7
111.04515	1.6
113.02437	1.7
117.03470	1.7
119.03520	0.7
119.05026	18.5
120.99678	1.7
121.02940	4.0
122.03744	1.1
123.04460	2.9
133.02943	1.6
134.03726	1.3
135.00861	1.2
135.04527	18.5
136.01602	0.7
137.02446	37.9
137.06090	9.7
138.02856	0.8
145.02943	3.7
145.08673	1.5
151.00388	0.8
151.03963	1.8
152.01105	1.0
153.01837	1.1
161.02417	6.0
161.04518	1.7
163.04012	31.5
164.04343	1.8
165.01860	2.3
166.02617	1.0
173.04530	3.9
174.03122	1.3
175.04012	1.6
177.01973	1.4
177.05447	1.1
179.03474	5.1
180.04187	1.0
181.05083	13.2
185.06149	1.1
187.03979	1.2
191.05612	19.7
192.05984	1.5
195.06554	1.7
207.02979	100.0
208.03415	5.3
209.04454	2.8
212.03059	1.3
213.05550	1.7
221.04549	1.1
223.06084	1.2
224.04752	1.0
225.00734	1.3
225.05525	1.9
227.03459	4.7
229.04893	1.7
237.05611	1.2
239.07117	1.0
240.04312	1.6
241.05063	6.2
242.05730	1.7
247.06133	5.1
251.05560	1.6
253.04985	3.4
254.05841	1.0
255.02937	8.9
255.06638	1.8
256.03516	1.4
256.07263	3.0
257.04462	0.9
257.08057	1.6
267.06638	1.3
268.07373	3.2
269.04623	1.6
269.07620	1.5
271.09445	0.9
273.07693	1.5
282.05023	1.3
283.05957	2.2
283.09814	1.8
284.03281	13.2
285.04028	12.8
285.07172	1.7
296.06741	1.9
297.04050	6.4
298.04678	1.0
299.05426	1.4
300.06247	2.8
301.07199	1.2
311.05563	3.2
312.06366	6.2
313.06949	1.2
314.07913	1.2
315.08759	9.1
327.05280	1.4
327.08704	28.0
328.09174	1.6
329.10101	1.0
338.07883	2.3
339.04984	1.6
341.10370	1.4
342.07251	1.2
345.09845	2.4
354.07294	2.9
355.08057	1.3
357.09747	7.9
369.09808	12.8
370.10165	0.9
387.10934	4.7
399.10864	0.9
417.11792	5.5
429.11798	4.3
447.13055	7.3
448.13370	1.3
459.12906	2.0
471.12930	1.7
477.14001	1.6
489.13983	2.2
507.15085	10.5
508.15210	1.0
535.14429	3.5
593.13025	18.8
594.13177	4.1
629.15186	1.1
641.18896	11.8
642.18524	2.0
653.18683	14.1
654.19019	2.8
671.19452	8.1
672.20380	2.0
697.17566	1.3
715.23358	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	711.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.6
56.58889	0.7
57.03452	4.2
58.00582	3.3
59.01379	87.9
60.01702	1.1
61.98826	2.2
69.03442	3.4
69.43480	0.7
71.01382	86.8
72.01712	1.0
72.99300	3.7
73.02953	15.0
75.00871	1.3
81.03448	1.8
83.01391	8.4
85.02950	23.7
87.00502	0.7
87.00885	8.5
89.02445	81.7
90.02767	1.3
93.03436	2.7
93.38870	0.8
93.96198	0.7
95.01385	2.9
96.95987	1.2
97.02955	3.1
99.00877	4.2
101.02443	58.2
102.02801	1.0
107.11946	0.7
111.00885	11.0
113.01705	1.3
113.02449	17.8
115.04012	1.6
119.03526	6.5
125.02448	7.6
129.01927	1.2
131.03502	43.6
132.03897	1.3
143.03502	3.3
149.04553	100.0
150.04883	2.5
159.02914	0.9
161.04541	7.9
173.04572	1.9
178.82722	0.8
191.05615	22.9
192.06032	0.9
192.92163	0.9
215.05589	1.1
230.10490	1.0
233.06596	6.9
245.06297	0.8
251.07805	2.0
276.86453	0.8
281.08902	0.9
293.08743	9.7
309.11230	1.5
311.09769	2.4
357.13486	1.3
449.14331	1.1
519.18585	11.1
607.37024	2.1
625.37671	1.1
651.22913	52.6
651.39832	1.4
652.23206	10.1
686.37921	1.0
735.24554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08548	4.4
56.10981	3.9
57.03455	4.7
59.01373	15.6
61.98832	44.2
71.01379	11.2
71.55615	4.9
74.01529	4.3
77.97898	4.6
78.40503	5.4
78.95911	5.8
85.02965	5.9
88.33723	4.0
89.89037	3.8
93.03458	10.6
96.96006	17.2
101.02454	4.2
161.02380	6.7
169.12434	5.0
173.04575	6.7
174.55678	5.9
191.05620	33.5
197.11850	100.0
198.12117	7.2
204.77744	4.5
204.89313	4.1
209.11841	94.6
211.13429	30.1
222.56302	4.8
225.11359	5.8
227.12878	27.9
235.08191	12.3
253.09341	7.5
343.79321	4.9
433.20670	18.1
443.19473	4.8
445.20837	5.9
447.22186	9.3
478.38275	4.9
513.67926	4.9
625.31586	5.7
639.33502	8.7
643.33118	5.5
650.37531	6.6
651.40570	10.2
711.33746	69.3
712.33752	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	710.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86066	0.1
56.86357	0.1
59.01372	0.4
61.98830	100.0
62.35074	0.2
62.98532	0.3
67.01897	0.2
71.02505	1.1
72.00900	0.2
84.22430	0.2
85.02989	0.3
91.05607	0.3
91.78524	0.2
93.03433	0.9
96.96038	0.7
98.01231	0.3
98.19843	0.4
101.02462	0.2
109.02882	0.2
113.19262	0.2
116.05044	0.8
118.06685	0.3
119.05038	1.4
121.02900	0.2
133.05386	0.4
134.06143	1.0
145.02986	0.4
146.06125	2.2
157.05453	0.2
161.07242	0.2
162.05632	0.6
163.04019	0.9
163.08797	0.2
164.07198	0.2
173.04645	0.3
173.07172	0.2
180.06657	2.7
183.05574	0.2
187.05128	2.3
189.06721	1.1
189.79071	0.2
191.05695	0.9
191.08276	1.2
192.05914	0.2
201.06693	0.2
203.08311	0.2
209.12000	0.2
221.09595	0.4
222.09210	0.2
230.06841	0.2
230.73019	0.2
246.11778	0.2
247.12383	0.9
247.35284	0.2
248.10948	0.2
264.10394	0.5
266.11911	1.1
273.10400	0.3
283.14612	0.3
291.11465	0.4
318.16571	0.3
327.13467	2.2
339.17181	0.3
377.16553	0.3
411.16858	0.2
422.22455	0.6
449.14835	0.3
455.17789	0.2
463.25424	0.2
466.21362	0.4
472.18701	0.2
500.17902	0.2
577.01111	0.2
647.28693	18.6
648.29028	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	709.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
61.98807	2.2
63.96235	1.4
69.64465	0.7
70.57512	2.0
71.01379	7.8
73.02950	1.6
78.98584	5.9
79.95738	12.5
80.96514	71.7
85.02935	3.1
87.00871	2.4
94.98087	16.4
95.01370	1.0
96.96021	1.1
97.02911	1.9
99.00853	1.1
101.02429	2.0
106.98083	3.9
122.97598	2.8
125.02416	2.8
129.76003	0.7
134.97580	5.4
136.99121	1.4
143.69736	0.7
148.99146	5.2
152.98625	5.4
164.98621	11.2
171.10254	1.9
206.99643	2.8
224.98654	1.2
225.00725	17.3
255.23323	1.3
313.54138	0.7
343.86899	0.7
451.26474	0.7
453.14322	3.5
514.67169	0.9
517.96539	0.7
537.27289	2.1
701.62628	0.9
709.38312	100.0
710.38751	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	709.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66242	0.4
55.01875	3.9
57.03445	0.8
59.01377	3.2
61.98839	0.7
67.01894	1.2
69.03458	97.3
70.03790	2.1
71.01386	2.4
72.99306	1.9
73.02956	0.8
79.01902	2.4
79.95746	0.5
85.02956	3.6
93.03471	1.2
95.01395	3.6
96.96018	6.5
97.02956	18.9
97.03581	1.0
99.00880	26.1
100.01227	0.7
101.02461	1.8
111.00896	0.9
113.02466	1.5
123.00857	1.1
132.02202	1.2
133.02971	0.8
134.03745	1.6
141.01935	7.2
147.87181	0.5
160.01672	5.9
161.02415	2.0
161.04562	1.3
173.04611	1.0
175.04005	7.2
176.04289	0.6
185.00911	100.0
186.01222	3.5
191.05614	3.2
191.07120	0.6
193.05119	0.8
209.11699	0.6
238.56490	0.6
295.78998	0.5
338.35101	0.5
347.17194	1.9
430.02356	0.6
448.56766	0.5
471.23831	0.6
523.21869	10.7
524.22559	1.4
649.38232	2.2
667.39063	1.1
708.33228	0.6
709.23773	7.3
709.35815	0.8
710.23846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
59.01381	4.4
61.98824	3.5
70.91711	3.0
71.01387	2.3
83.01390	1.2
83.05022	1.9
85.02942	2.5
87.00904	1.2
88.98798	1.4
89.02466	1.3
96.96004	7.1
99.04549	1.0
101.02475	2.3
109.06564	1.3
111.00875	2.3
113.02422	1.7
135.04486	1.6
161.02472	1.6
161.04611	1.7
161.13634	1.2
163.11261	2.3
166.45125	1.0
171.10263	9.9
173.04559	1.2
180.70399	1.1
191.05574	4.3
207.10234	3.1
208.10451	1.1
209.11821	100.0
210.12180	7.0
225.11275	2.0
227.12888	22.8
228.13237	1.2
235.08307	2.2
253.09325	5.6
427.19775	1.2
445.21011	7.6
456.43683	1.4
460.91724	1.2
463.21741	1.8
637.31952	2.6
653.31335	1.8
655.33258	2.1
671.32922	2.9
709.31793	34.3
710.32526	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	707.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97398	0.3
55.01876	0.5
57.03453	0.5
58.00590	1.7
59.01382	100.0
59.13410	0.3
60.01706	1.0
67.01864	0.4
70.88526	0.8
71.01384	26.5
72.99315	1.6
73.02954	1.0
83.01398	0.8
85.02954	5.3
87.00883	1.8
88.98890	0.3
89.02448	41.5
90.02777	0.5
95.01385	1.7
96.05014	0.3
96.96018	2.8
101.02448	16.0
111.00873	0.4
113.02451	12.1
115.05502	0.3
119.03508	19.2
120.03895	0.3
125.02458	0.6
131.03545	2.1
143.03511	4.3
149.04591	2.3
161.04579	6.2
162.04858	0.4
173.04601	0.4
178.58313	0.3
178.99919	0.4
179.05608	20.5
180.05916	0.4
191.05649	3.7
419.25952	5.2
420.26172	0.7
437.26907	1.4
467.28244	1.3
479.27979	0.5
599.32501	0.9
617.33282	25.8
618.33649	4.9
677.35571	0.8
707.21655	0.5
707.36395	1.2
716.56250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
58.00587	2.0
59.01378	100.0
60.01711	0.7
61.98825	0.9
69.49986	2.0
69.50401	0.7
71.01382	25.1
72.01733	0.5
72.99331	1.3
73.02970	0.8
83.01384	1.0
85.02946	4.8
87.00880	2.6
89.02444	41.7
90.02765	0.6
92.65193	0.4
93.03470	3.3
94.03821	0.7
95.01398	1.0
96.96000	2.3
99.04523	0.7
101.02435	15.1
109.02928	0.6
111.04525	0.7
113.02449	11.4
114.02917	0.5
119.03500	19.5
120.03861	0.6
121.02928	0.7
127.04030	0.9
131.03543	2.0
133.02995	1.1
135.04550	0.5
143.03511	5.1
145.02969	0.9
149.04588	1.6
161.02499	2.7
161.04536	6.9
162.02922	0.6
173.04562	1.6
179.05612	29.3
180.05986	1.0
191.05615	13.3
192.05951	3.1
193.06137	2.1
309.07791	0.5
339.05228	1.0
340.05588	1.3
341.05698	0.9
352.07925	0.7
353.08124	0.4
437.27087	1.1
513.10742	1.6
514.10626	2.5
515.10962	6.6
516.11365	0.7
587.32806	0.7
599.32892	0.6
617.33228	9.5
618.33783	2.6
677.35712	2.4
707.36133	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12431	0.3
55.01867	1.0
56.38520	0.3
57.03450	0.9
58.00590	1.2
59.01377	100.0
60.01718	1.1
60.06160	0.3
60.06467	0.3
60.16716	0.3
60.99306	0.4
61.42042	0.3
61.98833	0.6
71.01379	27.1
71.55642	0.4
72.99300	2.3
73.02960	1.4
83.01383	7.9
85.02949	5.3
86.70687	0.4
87.00881	3.0
89.02440	38.9
90.02795	1.0
93.03465	1.4
95.01385	1.6
96.96009	3.5
97.02966	0.3
98.97260	0.3
99.00858	1.9
99.04539	0.9
101.02438	16.7
102.02828	0.6
109.02982	0.4
111.00883	1.6
111.04567	0.4
113.02450	12.2
114.32272	0.3
119.03497	17.0
121.03032	0.4
122.13752	0.3
125.02457	0.7
127.00364	3.7
131.03459	2.4
133.02936	0.7
135.04530	0.4
137.02463	1.2
140.90842	0.3
141.01912	0.4
143.03497	5.1
145.01497	0.4
149.04561	1.7
151.00362	3.6
157.94937	0.3
161.02475	0.8
161.04536	6.3
166.02702	8.5
166.04034	0.5
167.03281	0.4
168.00606	0.3
169.01395	0.3
173.04604	1.5
177.02025	0.7
179.05606	21.7
180.05998	0.7
181.05060	8.0
182.05458	0.5
188.03053	0.3
191.03864	0.4
191.05586	5.6
204.49400	0.3
209.11893	0.8
281.30792	0.3
289.05670	0.6
387.10870	1.1
387.15082	0.5
402.13443	1.1
403.14063	1.0
417.15469	5.3
418.15891	0.8
419.26071	0.9
437.27036	3.8
438.27283	0.6
447.09525	0.9
455.28198	0.6
484.90576	0.5
587.32263	0.7
599.32220	1.7
600.33002	0.4
617.33240	25.4
618.33691	6.2
677.35071	1.6
678.87122	0.4
707.21875	7.2
707.36786	1.1
708.21655	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.3
57.03463	0.7
57.76311	0.2
58.00598	1.9
59.01383	100.0
60.01723	0.9
61.98849	0.4
69.32965	0.2
70.21030	0.5
71.01385	25.1
72.99313	1.8
73.02963	0.8
73.19070	0.2
83.01372	1.2
85.02954	4.7
85.20683	0.2
87.00894	1.9
89.02450	38.8
90.02768	0.4
93.03460	1.3
93.50830	0.2
95.01392	1.3
96.96017	3.0
97.02939	0.3
99.00869	0.5
99.04518	0.4
101.02451	14.9
106.49030	0.2
109.02942	0.4
111.00848	0.4
111.04482	0.3
113.02457	11.9
114.02760	0.3
119.03511	17.8
120.03849	0.6
125.02452	0.7
131.03506	2.2
133.01404	0.3
135.04503	0.4
143.03519	3.8
145.08669	0.3
149.04558	1.7
161.02498	0.4
161.04547	5.8
164.94247	0.2
173.04527	0.9
179.05621	17.1
180.05937	0.5
191.05623	3.2
192.05991	0.3
319.53949	0.2
407.25723	0.3
419.25934	5.1
420.26117	0.7
437.26718	1.1
467.27689	0.9
474.65445	0.2
587.32367	0.3
599.31915	1.0
617.33295	24.0
618.33752	4.6
677.35583	1.2
678.35266	0.3
707.23145	0.3
707.35382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.7
53.66059	0.7
57.03449	5.8
58.00603	1.0
59.01382	13.3
61.98827	3.2
67.01891	1.1
69.03448	0.9
69.74681	0.7
71.01383	64.9
71.55122	1.3
72.01721	1.3
72.99308	5.0
73.02943	3.3
75.00863	0.8
79.95718	0.9
80.02684	1.8
81.03460	3.0
83.01386	1.3
83.05024	4.7
85.02953	4.8
87.00883	3.3
89.02462	6.1
92.36900	0.7
93.03457	5.5
95.01366	0.9
95.05016	0.9
96.96001	8.9
97.02980	2.1
99.00887	1.6
99.04520	7.7
101.02443	7.9
109.02974	1.5
109.06602	4.8
111.00885	2.7
111.04522	2.5
111.24026	0.7
113.02489	3.9
119.03498	1.1
125.02456	1.8
125.06071	1.4
125.09753	4.0
127.03986	0.9
127.11292	3.2
131.41718	0.9
133.02921	0.9
135.04498	0.9
135.08167	2.1
137.02434	1.3
137.09761	1.0
142.02472	0.7
143.03583	0.9
153.09270	0.8
155.03497	2.8
155.10751	1.4
161.02473	1.3
161.04565	13.2
161.09799	0.8
163.11288	7.4
164.11613	0.8
165.05489	0.8
165.09201	1.2
165.12794	1.5
171.10275	59.3
172.10655	2.6
173.04556	10.2
173.05905	0.8
175.07657	1.1
179.03419	0.7
181.12352	3.1
183.10291	2.2
185.11742	1.6
187.07663	1.9
191.05623	17.3
191.10829	1.3
192.05977	1.7
197.11850	1.9
199.09740	8.1
199.13353	2.4
201.11322	32.4
202.11691	1.7
203.07121	1.4
207.10258	15.9
208.10580	1.1
209.11829	100.0
210.12224	6.2
211.13440	1.1
215.07167	1.1
215.12852	1.4
218.09464	0.8
225.11320	20.4
226.11659	1.0
227.12877	14.2
228.13101	0.9
233.06683	0.9
235.08237	4.3
243.12434	2.2
247.09708	1.0
253.09306	14.1
254.09682	0.8
271.02432	1.4
299.01913	2.8
300.02386	3.7
301.02811	2.2
309.20834	0.9
317.08676	1.0
335.09906	1.1
375.72610	1.0
389.16168	4.0
397.13925	0.9
461.20313	4.1
463.27252	0.8
525.26563	1.3
545.20337	1.3
563.21393	5.3
609.14398	1.2
610.14630	2.9
635.30573	1.3
653.31635	1.2
671.32727	2.0
672.33264	1.1
689.33832	3.0
707.34894	9.3
708.35175	2.2
710.99512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44703	0.7
57.03456	4.3
59.01376	11.9
61.98833	10.6
67.01900	1.3
69.03436	0.8
71.01382	66.4
71.11710	1.6
72.01738	1.1
72.99300	3.3
73.02943	3.0
74.70222	0.8
75.57452	0.6
77.04290	0.8
79.76251	0.7
80.02679	1.4
81.03452	2.2
83.01360	0.9
83.05025	6.7
85.02939	4.4
87.00865	3.1
89.02425	4.8
93.03450	4.6
95.05033	1.6
96.96011	9.8
97.02929	1.6
97.06582	1.0
99.00872	2.5
99.04543	4.1
101.02437	7.7
109.02967	0.8
109.06584	5.4
109.45923	0.6
111.00890	4.7
111.04523	1.6
113.02464	3.9
116.97327	0.7
119.03515	1.0
119.05004	0.7
125.02400	1.4
125.09708	2.6
127.03982	0.9
127.11278	2.8
132.00479	0.7
133.02916	1.2
135.04504	2.4
135.08235	0.8
137.02440	1.6
143.03471	1.2
145.02937	1.0
153.09164	1.1
155.03502	1.6
155.10744	1.1
161.02463	3.9
161.04568	9.8
161.25130	0.6
162.02873	1.0
163.11295	8.1
164.11610	0.8
165.12819	2.7
169.12209	0.7
171.10269	60.1
172.10652	3.3
173.04552	6.9
174.04968	0.8
179.03452	1.6
179.05626	1.0
181.12311	3.4
185.11804	1.4
189.09215	0.8
191.05589	16.7
191.10846	0.9
192.05975	1.3
197.11919	1.5
199.09750	7.5
199.13422	2.0
201.11311	30.1
202.11591	1.7
207.10251	15.7
209.11818	100.0
210.12158	8.0
210.94888	0.7
211.13470	1.3
213.11221	0.7
215.07294	1.3
215.12970	1.3
225.11313	18.5
226.11713	1.9
227.12883	14.9
228.13263	1.3
235.08202	4.3
236.08150	0.8
243.12328	2.1
253.09290	13.4
254.09505	0.8
309.20459	1.4
317.08859	0.8
389.15994	3.6
435.18573	1.0
443.19159	1.2
461.20377	5.2
497.12714	1.3
545.20349	1.1
563.21375	2.3
609.29700	1.1
627.29785	1.1
635.30652	1.4
653.31842	1.7
671.33038	2.5
672.33307	1.1
689.33978	3.4
690.34161	1.3
707.35358	6.6
708.34766	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.9
59.01382	25.1
61.98831	100.0
69.07784	4.1
71.01384	23.0
71.17774	4.0
78.95888	7.7
83.05034	5.2
84.67680	3.9
85.02960	11.0
88.98819	10.5
89.02452	10.3
93.03482	14.9
94.98086	5.5
96.96033	20.5
98.20654	9.6
99.04546	7.6
101.02441	14.0
101.83543	4.4
109.06595	19.2
111.00863	8.0
113.02431	8.1
113.13169	4.7
133.57628	4.0
137.02446	8.5
161.04572	11.3
163.11333	11.7
171.10327	10.3
173.04558	19.9
179.03468	5.4
183.81902	5.0
187.07697	8.2
191.05634	42.2
201.05836	5.9
201.11354	12.7
207.10251	47.6
209.11855	75.6
210.12166	9.6
211.13533	7.9
225.11317	49.6
227.12814	22.9
231.10307	6.1
235.08151	9.4
245.11966	5.6
253.09290	11.2
275.09326	6.1
279.23318	6.3
291.19568	5.7
309.20648	6.5
399.21249	4.5
443.19016	6.2
449.14368	4.7
461.20242	13.9
635.30676	35.0
651.30103	17.3
653.31781	45.1
654.31982	6.8
669.31586	10.1
671.32886	35.6
707.29529	39.1
708.31085	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	707.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08395	0.9
55.01845	1.2
57.03445	7.2
59.01102	1.4
59.01380	14.9
61.98816	3.2
69.03477	1.0
71.01382	42.3
72.99303	3.4
73.02962	4.8
75.00882	1.0
80.02664	1.6
80.55194	0.9
81.03447	1.3
83.01392	1.2
83.05042	6.3
84.02156	1.9
85.02944	5.4
87.00874	4.0
88.98791	2.4
89.02446	8.8
93.03452	5.8
95.01393	1.1
95.05044	1.3
96.96021	13.5
97.02932	2.3
99.00884	3.0
99.04512	7.6
101.02457	8.9
109.02949	1.9
109.06610	4.8
111.00875	4.9
113.02436	4.3
119.03519	2.1
125.02441	1.9
125.09702	3.1
127.03954	1.2
127.11260	1.5
133.02954	1.8
135.04503	4.0
137.02437	1.7
139.11311	1.3
155.03464	1.9
161.02440	3.5
161.04546	11.8
163.11295	8.4
165.12814	2.8
167.10640	1.1
171.10272	43.0
172.10576	2.5
173.04527	10.5
175.07535	1.0
179.03439	1.8
179.05626	1.9
181.12305	3.2
185.11827	16.3
187.07587	0.9
191.05611	18.6
192.05922	1.6
197.11832	1.9
199.09689	6.0
199.13394	1.7
200.18771	1.0
201.11327	23.8
202.11699	1.5
207.10284	12.9
208.10536	1.1
209.11824	100.0
210.10413	1.5
210.12076	6.6
211.09833	1.3
211.13390	1.7
215.12968	1.4
225.11362	15.3
226.93098	1.1
227.12898	14.4
228.13129	2.0
235.08131	3.6
243.12352	2.7
253.09335	12.7
309.20807	6.3
316.19672	1.1
357.63644	1.1
389.15872	2.6
396.36331	1.2
397.13022	1.7
399.21909	1.2
410.63782	1.1
415.14502	2.5
435.18423	1.7
461.20187	2.4
462.20905	1.2
477.22980	1.2
479.20853	1.1
503.33588	5.8
505.43686	1.1
545.20508	1.7
563.21362	4.5
635.30768	1.3
653.31854	1.8
671.32672	3.1
675.32379	22.3
676.32623	2.5
678.84216	1.2
689.33386	3.8
707.35284	11.9
708.34705	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	8.0
57.40002	4.9
59.01382	37.8
71.01391	14.1
75.00869	6.1
80.96546	5.6
83.05047	5.7
85.02948	8.6
87.00909	5.8
88.98783	10.8
89.02436	6.3
91.85545	5.2
93.03412	7.1
96.96017	30.0
99.04520	12.6
101.02431	10.3
109.06577	6.4
111.00879	71.4
113.02588	5.1
120.20124	5.7
135.04497	16.3
137.02460	6.4
143.29803	6.5
157.46095	5.2
161.02432	15.5
161.04561	27.5
173.00912	13.5
173.04530	20.2
173.48456	5.7
191.05630	41.6
201.11299	8.3
207.10219	29.9
209.11832	100.0
211.13370	12.8
215.32053	5.3
225.11288	40.6
226.11783	6.5
227.12918	23.0
229.03284	5.7
253.09108	8.5
259.70389	6.4
349.93289	5.9
359.40881	6.0
410.35571	5.9
447.27682	26.4
461.20325	11.7
545.20398	9.0
635.30823	13.2
647.38330	7.3
648.38104	5.8
653.31738	29.7
671.32672	30.3
672.33368	7.5
707.30054	66.5
708.30804	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63261	0.1
55.16797	0.1
59.01372	0.1
65.05376	0.1
69.38018	0.7
70.96123	0.1
75.68108	0.1
79.95741	3.0
85.02936	0.1
93.03464	0.1
96.96016	100.0
97.95963	0.3
100.55978	0.1
110.80340	0.1
126.13866	0.1
140.05849	0.1
161.02475	0.1
173.04483	0.1
176.63512	0.1
191.05568	0.5
213.79874	0.1
255.03058	0.2
271.02451	0.3
276.21588	0.1
300.02768	0.6
301.03391	0.4
353.06625	0.1
360.90921	0.1
515.11743	0.1
609.14612	1.0
610.14874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68273	0.1
59.01381	0.4
61.98829	100.0
65.04079	0.1
71.01384	0.1
80.96511	0.1
83.05021	0.1
83.92950	0.1
85.02990	0.2
85.42983	0.1
87.00913	0.1
88.98808	0.2
89.02455	0.1
93.03477	0.2
96.96032	0.3
99.04519	0.1
109.06615	0.2
113.02459	0.1
133.02895	0.2
135.04510	0.2
161.04590	0.2
168.29126	0.1
171.10353	0.1
172.40649	0.1
173.04532	0.2
183.13943	0.4
191.05650	0.4
197.11909	0.4
207.10329	0.4
209.11795	0.8
210.12155	0.4
225.11284	0.3
227.12985	0.1
228.13196	0.1
356.95770	0.1
438.08487	0.1
461.20578	0.1
492.66385	0.1
619.34778	0.1
652.30847	0.2
653.32367	0.1
670.31921	0.1
674.34528	0.8
706.38416	0.2
707.30151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.4
70.55319	0.6
71.01375	2.0
73.02930	0.4
75.32284	0.2
78.08237	0.3
80.02686	1.0
81.03458	0.7
82.74348	0.3
83.01382	0.5
83.05025	3.6
84.02182	0.8
85.02939	0.4
89.02448	1.5
91.65774	0.2
93.23824	0.3
95.01397	0.3
95.05035	0.6
96.96026	0.4
101.02456	1.8
109.06580	0.5
113.02433	0.9
119.03425	0.3
120.36226	0.2
125.06087	0.4
125.09696	0.4
135.08226	0.3
143.03505	0.3
161.04491	1.3
163.11288	3.3
165.12828	1.9
166.46011	0.3
169.12335	0.5
171.10277	1.2
171.32959	0.3
179.05638	0.3
181.12329	0.6
189.16174	0.2
191.05667	0.5
191.10815	0.9
196.26216	0.2
197.11655	0.3
201.11232	0.3
202.56650	0.2
207.10379	0.4
209.11827	100.0
210.12166	6.1
225.11366	0.3
227.12880	14.0
228.13278	0.8
235.08223	1.6
253.09273	6.3
254.09572	0.3
320.34100	0.3
401.23151	0.3
445.20767	1.7
446.21075	0.3
463.21155	0.4
637.32446	0.6
673.32275	0.3
687.32422	0.4
705.33759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.8
58.00584	1.7
59.01377	9.2
61.98817	1.7
67.01859	1.1
69.03476	5.8
71.01384	8.7
71.05019	2.7
71.54678	1.1
72.99329	1.0
73.02940	2.8
79.95696	1.4
80.02673	1.1
81.03487	1.6
83.01394	2.3
83.05048	4.6
85.02946	4.9
87.00874	6.4
89.02443	7.6
93.03448	4.5
94.93072	0.9
95.01398	1.0
95.05093	1.1
96.96017	9.2
97.02953	1.8
97.06596	2.6
99.00893	8.4
101.02451	7.4
109.06585	1.2
111.00849	2.1
113.02440	3.1
123.08159	2.1
125.02380	1.0
125.09713	8.4
127.03996	1.1
127.11289	3.1
137.02481	0.9
137.09720	1.4
151.00346	1.1
151.11267	2.8
153.12807	2.6
155.10704	1.3
161.02406	1.4
161.04521	3.1
161.09721	5.0
163.11302	5.8
165.12851	2.1
169.12306	1.7
171.10315	5.6
173.04533	4.4
174.03285	1.0
179.10764	10.2
180.82405	0.9
181.12331	5.8
191.05618	18.1
192.05943	1.1
197.11827	81.8
198.12158	5.3
199.04059	1.4
199.09669	1.8
199.13391	4.1
201.11330	42.3
202.11603	2.1
207.10251	9.6
209.11823	52.9
210.12085	2.9
214.02628	1.1
223.09795	1.4
225.11354	14.7
226.11598	1.1
227.03503	1.1
227.12881	4.1
241.01279	1.5
241.10809	5.4
242.02240	1.5
243.02956	2.0
243.12398	8.0
252.71333	1.1
253.09288	5.0
255.02951	2.0
270.01590	1.5
271.02405	3.9
299.01974	13.8
300.02533	4.2
301.03531	2.0
339.04926	1.1
358.69351	1.1
397.09283	1.4
463.08551	1.5
477.19864	2.2
479.21405	3.0
503.20090	1.0
504.20657	2.0
505.57471	1.0
513.10046	1.3
607.13177	1.5
608.13800	11.3
609.14600	1.7
661.30774	23.8
662.31116	3.9
669.42084	1.0
687.32300	74.5
688.32635	11.8
705.22351	3.4
705.33282	100.0
706.22156	0.9
706.33624	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	705.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
58.00600	0.6
58.37777	0.6
58.38065	0.6
59.01387	5.2
61.98833	1.7
67.01896	0.8
70.79164	0.7
71.01392	4.7
71.55543	0.8
72.99326	0.9
73.02953	1.1
81.03458	0.7
83.01374	0.9
83.05041	1.7
85.02971	3.7
87.00882	100.0
88.01233	1.3
89.02439	2.3
93.03460	3.2
95.01402	0.9
96.96020	13.3
97.95905	0.6
99.00902	0.8
99.04558	1.2
101.02453	4.3
105.93490	0.6
109.02984	1.0
111.00882	1.8
113.02456	1.9
119.03525	0.7
125.02439	0.6
125.09753	1.1
127.11237	1.4
132.60522	0.6
133.02913	1.7
135.04485	1.9
137.02455	1.0
143.03484	0.6
145.02901	0.7
150.03165	0.8
151.00333	2.8
151.11244	0.6
155.03485	0.6
161.02441	3.0
161.04543	2.0
163.11246	1.8
165.12759	0.6
169.12338	11.7
171.10272	4.0
173.04535	2.9
177.01862	0.7
178.83206	0.6
179.03459	1.0
191.05614	17.1
192.05936	1.2
197.11836	16.4
198.12090	1.3
199.04019	1.0
201.11334	10.9
203.03432	0.7
207.10236	1.1
209.11855	15.4
210.12186	0.6
214.02673	2.3
225.11362	1.3
227.03471	1.7
227.12767	1.2
241.01299	2.3
242.02318	3.2
243.02950	2.6
245.00903	1.2
253.09224	2.3
255.02950	2.5
270.01651	3.4
271.02451	6.3
294.50699	0.6
298.01138	1.8
298.98633	1.3
299.01978	21.4
300.02628	5.9
301.03378	3.1
301.86264	0.6
321.03729	1.0
339.04922	1.6
396.08344	1.6
397.09149	3.6
463.08652	2.2
504.20697	1.9
513.09961	2.7
559.27191	1.7
607.12689	1.5
608.13776	13.7
609.13928	3.0
645.33429	1.0
661.29669	1.9
667.38867	1.0
668.38702	0.7
669.40924	3.5
687.32208	11.2
688.32129	2.4
705.19904	6.6
705.33032	37.2
706.20203	1.8
706.33398	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	705.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.8
59.01376	2.1
61.98823	0.9
63.02090	0.6
63.02400	8.5
65.00333	9.7
65.31270	0.6
67.01900	0.9
68.99833	0.6
69.03477	0.6
69.43826	4.2
71.01382	1.8
73.02951	0.6
80.96508	0.7
81.77277	0.6
83.01397	9.7
85.02950	2.5
87.00871	1.6
89.02419	0.8
93.03477	3.6
95.01392	1.7
96.96007	3.2
99.04528	0.8
101.02470	0.9
107.01396	20.0
109.02965	1.9
111.00880	1.3
123.00807	0.7
124.01675	5.9
125.02454	12.9
127.04029	0.8
133.02939	1.7
135.04535	1.9
137.02446	1.4
139.00401	0.7
145.02969	0.7
149.02556	0.7
149.06026	0.7
151.00378	75.6
152.01186	19.1
153.01967	5.6
159.04506	1.1
161.02466	2.3
161.04607	1.4
163.00443	1.2
165.01970	0.6
169.01450	6.4
172.05254	0.9
173.04532	2.6
173.06081	2.9
175.02518	0.8
175.03928	0.8
177.01950	1.5
178.99875	73.2
179.03194	1.4
180.00198	3.0
181.01431	1.1
187.04016	1.5
187.07666	3.1
189.05589	4.3
190.02728	1.1
191.03978	1.1
191.05638	16.0
192.06004	1.5
197.06148	0.9
199.07747	2.8
200.04800	3.1
201.05573	1.6
203.03471	0.6
214.02644	0.7
214.06482	0.7
215.07140	24.0
216.07626	2.0
217.08765	2.9
219.06732	0.7
225.05530	2.1
226.02641	0.6
226.06259	0.8
227.07065	4.3
232.03786	1.8
239.03481	0.9
239.07048	1.3
241.01459	0.7
241.05032	2.7
241.08537	0.8
241.65823	0.5
242.05847	1.6
243.02997	1.3
243.06645	3.1
253.05112	5.1
254.05713	1.5
255.03001	1.6
264.04327	0.7
265.05130	0.8
265.08881	0.7
267.06522	1.6
269.08130	1.6
270.05368	0.9
271.02859	3.9
271.06030	5.5
277.05017	0.9
278.05722	0.7
287.17459	0.6
291.06723	0.9
292.07431	1.0
293.04568	1.8
293.08151	1.9
295.06216	0.8
296.03290	1.3
299.01944	1.7
300.02707	8.0
305.08163	2.1
309.07596	1.0
311.01981	1.1
311.09125	1.3
321.04053	1.5
322.04782	2.1
323.05853	0.8
323.09396	0.8
325.07260	1.4
333.07788	5.5
334.08176	0.9
335.09341	0.8
336.06296	1.6
337.07062	1.2
339.05066	1.1
350.04248	1.2
351.08447	0.7
361.07199	6.0
378.07477	1.8
379.08194	11.6
380.08389	1.6
397.09265	30.1
398.09665	2.6
513.10315	3.3
579.17139	1.9
705.20313	100.0
706.20679	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	705.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.7
59.01378	3.0
61.64979	0.5
61.98827	1.2
63.02401	10.0
65.00326	10.9
68.99821	1.0
69.03456	0.5
70.96898	0.4
71.01369	2.2
71.55669	0.6
73.02958	1.1
73.90084	0.4
74.02505	0.7
79.95779	0.6
81.03468	0.9
83.01393	8.9
83.90234	0.5
85.02946	3.5
87.00902	1.7
89.02473	1.1
93.03459	4.5
95.01409	0.9
96.96021	7.7
98.89471	0.5
99.04523	1.5
101.02465	1.5
107.01394	21.2
108.01648	0.5
109.02975	2.5
111.00895	2.0
111.04564	0.6
113.02475	1.3
117.33670	0.4
119.21723	0.4
121.02947	0.7
123.00902	1.0
124.01669	6.3
125.02457	14.8
128.03539	1.2
133.02985	1.7
134.03812	0.6
134.92302	0.4
135.00922	0.5
135.04535	2.1
137.02467	1.6
139.00342	0.5
141.67186	0.5
143.04608	1.2
149.02489	0.5
151.00374	77.4
152.01172	18.5
153.01939	5.5
155.03452	0.6
159.04530	1.5
161.02440	3.5
161.04546	1.6
161.05966	0.6
163.00368	0.9
163.04128	0.6
165.01935	0.7
169.01408	7.4
172.05348	0.7
173.04552	2.9
173.06082	2.9
174.06909	0.6
175.03970	1.1
177.01930	2.1
178.99864	77.9
180.00162	2.6
181.01405	1.3
183.04459	0.6
185.06082	0.5
186.06981	0.7
187.03979	1.3
187.07639	3.0
188.04822	1.2
189.01990	0.6
189.05588	3.6
190.02731	0.8
191.05608	16.9
192.05946	1.2
192.93381	0.5
197.06012	1.4
199.03867	0.6
199.07652	2.1
200.04762	4.5
201.05528	1.7
202.06317	1.1
209.06094	0.7
210.09023	0.6
211.04010	0.8
212.04672	0.6
215.03665	0.9
215.07133	23.6
216.07628	1.8
217.08711	3.2
225.05585	1.8
226.06262	0.5
227.03442	0.7
227.07063	3.4
228.04178	0.5
229.01323	0.9
229.05150	0.6
232.03746	1.7
239.03410	0.6
239.07181	1.0
241.01445	1.1
241.04999	3.0
241.08769	0.6
242.02211	0.7
242.05785	2.0
243.02902	1.0
243.06654	3.6
244.07312	0.5
249.05502	0.7
251.07050	0.5
252.07820	0.5
253.05092	5.4
254.05798	2.0
255.03020	2.2
255.06480	1.1
264.04221	0.5
265.05222	0.7
265.08591	1.0
266.05957	0.6
267.06766	2.1
268.07324	1.1
269.04596	0.6
269.08197	1.4
270.05307	0.7
271.02512	4.8
271.06104	6.7
272.03040	0.6
277.04974	0.8
277.08365	0.7
278.05869	0.6
280.04019	0.6
280.07120	0.6
281.08020	0.6
291.06586	1.1
292.07397	1.1
293.04816	0.9
293.08194	2.5
294.05444	1.0
295.06030	0.7
296.03223	1.1
299.01944	5.2
300.02762	9.3
301.03290	1.0
305.08136	1.0
306.07693	2.9
307.07736	0.5
307.09805	0.6
308.07236	0.8
309.07556	0.9
311.02005	0.9
311.09396	1.0
321.04007	1.6
322.04868	1.6
323.09381	0.8
325.07114	2.0
333.07648	4.9
334.08102	1.4
335.09387	0.9
336.06500	2.2
339.05142	2.3
349.07251	0.6
350.04401	0.7
351.08612	1.9
352.07935	0.6
353.06589	0.9
361.07147	3.2
378.07510	1.3
379.08191	11.0
380.08423	1.4
397.09277	34.6
398.09576	3.0
463.09033	0.6
513.10461	3.9
557.23450	0.6
579.17230	1.7
608.13739	1.5
609.14752	0.8
705.20288	100.0
706.20581	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	705.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.8
59.01377	1.8
63.02403	8.8
65.00326	9.4
67.01884	0.6
68.99821	0.7
71.01387	1.0
71.56394	0.4
72.34805	0.4
73.02965	0.8
80.96521	0.5
81.03458	0.6
83.01395	9.8
85.02951	1.5
87.00887	1.5
89.02478	0.7
93.03457	2.7
95.01398	1.3
96.96014	2.2
99.04523	0.4
101.02457	0.9
107.01397	22.3
108.02265	0.5
109.02946	1.3
111.00887	1.5
111.04572	0.5
123.00874	0.9
123.04536	0.8
124.01678	7.9
125.02457	14.5
125.37202	0.4
127.03986	0.7
133.02972	0.8
135.00871	0.4
135.04541	0.8
137.02486	1.7
139.00386	0.9
141.01874	0.5
143.03476	0.6
151.00375	84.7
152.01173	20.8
153.01959	4.5
155.03487	0.3
159.04564	1.3
161.02438	2.2
161.04538	0.5
163.00383	1.2
163.06114	0.4
164.01132	0.4
165.01962	0.5
165.05656	0.4
169.01428	7.1
171.08096	0.5
172.05281	0.6
173.02553	0.4
173.04568	1.6
173.06085	2.2
174.03268	0.6
175.03975	0.8
177.01955	1.8
178.99863	74.9
180.00183	2.9
181.01472	0.8
182.03671	0.5
185.06047	0.7
186.06905	0.7
187.04036	1.7
187.07687	2.8
188.04787	0.7
189.02017	0.8
189.05563	4.3
189.09215	0.5
190.02702	1.1
191.03712	0.6
191.05623	9.5
191.07362	0.6
192.06032	0.8
193.01396	0.5
197.06082	1.2
197.11874	1.0
199.03885	0.4
199.07607	2.4
200.04788	3.7
201.05525	1.6
202.06305	0.6
205.01454	0.5
209.06123	0.4
211.04056	0.9
212.04794	0.7
213.05630	0.4
215.07127	25.0
216.07680	2.3
217.08717	4.2
219.03017	0.6
219.06584	0.4
225.05614	1.7
225.09167	0.4
226.02802	0.6
226.06363	0.7
227.07104	4.6
232.03796	1.0
234.06644	0.4
237.09111	0.7
239.03671	0.7
239.07074	0.9
240.04187	0.9
240.07901	0.5
241.01422	0.5
241.05095	3.1
241.08627	0.9
242.02162	0.6
242.05872	1.3
243.02979	1.1
243.06602	3.5
245.08168	0.7
249.05527	0.4
250.06223	0.5
252.07961	0.6
253.05057	5.9
253.07787	0.5
253.08788	0.5
254.05862	1.8
255.02971	1.9
255.06572	0.9
263.07135	0.6
264.07904	0.4
265.05081	0.6
265.08728	1.2
267.06589	1.6
268.07495	0.5
269.08176	1.6
270.05112	0.9
271.02512	4.0
271.06116	6.8
272.06494	0.4
274.04657	0.4
277.05142	0.7
277.08633	0.4
278.05869	0.5
280.07376	0.8
281.08286	0.7
283.09692	0.4
289.08658	1.5
290.05890	0.8
291.06607	1.2
292.07281	1.0
293.04630	0.9
293.08203	2.0
294.05273	0.9
295.05994	0.5
296.03226	1.0
299.02008	1.6
300.02725	7.1
301.03168	1.0
305.08286	2.0
306.05316	1.1
306.08731	0.5
307.06149	0.5
307.09619	0.9
308.03412	0.5
308.07172	0.5
309.04193	0.6
309.07690	0.8
311.01968	1.3
311.09375	0.8
315.14505	0.8
319.06039	0.5
321.04102	0.9
322.04861	1.5
323.05624	0.4
325.07053	1.7
333.07690	6.9
334.08264	1.4
335.05612	0.7
335.09314	1.4
336.06451	1.9
337.06830	0.5
350.04272	1.3
350.08139	0.7
351.08749	1.8
353.06577	0.9
361.07172	10.0
362.07486	1.5
378.07516	2.9
379.08212	15.0
380.08578	1.1
397.09274	31.0
398.09503	2.9
486.12674	0.5
513.10504	0.7
553.19543	0.6
579.17181	1.9
599.38177	0.4
687.19373	0.7
705.20355	100.0
706.20618	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	705.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
57.38549	0.3
59.01373	2.1
60.99316	1.4
61.98845	0.2
64.03628	0.2
67.01895	3.3
69.03444	1.2
71.01370	2.3
73.02948	0.5
80.11346	0.3
81.03450	1.1
83.05039	0.8
84.28716	0.3
85.02947	12.9
86.03310	0.4
87.00875	9.1
93.03457	30.0
94.03815	0.8
96.95987	1.0
97.02918	0.4
98.20596	0.6
99.00883	0.5
99.04490	0.5
101.02435	0.4
105.03458	1.0
108.02150	0.3
109.02951	1.9
111.00870	0.4
111.04517	4.2
113.02408	0.7
115.04047	0.3
117.03426	0.3
121.02958	4.6
127.04016	3.0
129.01952	0.6
133.02959	5.8
134.03676	0.6
135.04533	3.8
137.02438	1.0
141.25383	0.3
145.02936	0.3
149.02502	0.3
155.03523	1.2
160.01611	0.4
161.02446	18.7
162.02806	0.6
171.02975	0.7
173.04550	9.3
174.04811	0.5
177.01923	2.3
178.02666	1.2
179.03506	1.7
189.01923	0.4
191.05608	100.0
192.05957	3.8
215.05594	1.7
221.06085	0.5
223.07561	0.6
239.07187	2.0
249.05530	0.3
251.07129	0.5
267.06573	0.9
283.06116	1.0
295.06110	0.4
311.05539	3.3
312.05908	0.4
321.03998	0.5
339.05060	16.4
340.05399	1.9
351.07236	5.4
352.07468	0.6
353.08722	0.6
397.18051	0.3
476.73730	0.3
487.11935	0.3
513.10333	67.9
514.10675	10.7
705.16681	4.3
706.16858	1.1
730.06744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
58.46486	0.3
59.01375	1.6
60.99305	1.6
61.98832	0.6
62.63077	0.3
67.01891	3.9
69.03468	1.0
71.01384	2.6
73.03720	0.3
74.45013	0.3
81.03453	1.3
83.05019	0.5
84.47678	0.3
85.02951	12.2
87.00873	9.6
87.01378	0.7
87.61647	0.3
93.03461	28.4
94.03783	0.8
94.98109	0.4
95.59470	0.3
96.96011	3.0
99.00867	0.7
99.04495	0.7
101.02451	0.4
105.03445	1.2
109.02958	2.3
111.04510	4.9
119.05039	0.4
121.02966	1.3
123.04478	0.3
127.04015	2.6
129.01950	0.9
132.02225	0.5
133.02954	12.2
134.03711	1.4
134.09569	0.4
135.04515	5.4
137.02451	1.6
137.28569	0.3
139.03983	0.5
150.03183	0.5
155.03517	1.0
160.01649	1.1
161.02440	45.2
162.02792	1.8
171.02965	1.0
173.04546	9.1
175.00369	0.8
176.01199	1.0
177.01933	4.9
178.02664	1.5
179.03517	4.5
191.05606	82.0
192.05948	3.7
198.53224	0.3
215.05557	2.8
215.15961	0.4
239.07118	0.5
265.85849	0.4
277.05225	0.4
339.05069	22.9
340.05289	1.8
351.07196	8.2
352.07547	0.5
353.08835	0.4
513.10345	100.0
514.10663	14.0
676.52399	0.4
705.16370	3.5
706.16876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
59.01377	9.6
60.40622	0.5
69.03474	0.6
70.92368	1.0
71.01378	5.4
71.05021	0.9
72.99277	0.7
73.02944	0.9
80.02679	2.3
81.03458	3.6
83.01398	1.0
83.05022	8.4
84.02154	1.6
85.02951	1.8
87.00867	0.9
89.02446	2.5
93.03455	1.1
95.01445	0.7
95.05028	1.0
97.02950	5.1
97.06558	1.1
99.00864	0.6
101.02437	5.4
106.04241	0.6
107.05045	0.8
109.06588	25.0
110.03739	1.1
113.02449	2.3
119.03529	0.7
121.06583	1.6
123.04489	0.5
125.02436	0.6
125.06071	0.7
125.09678	1.4
135.08168	3.1
136.05299	0.8
142.02773	1.2
145.05028	0.7
161.04587	2.6
161.09706	1.7
163.11269	14.5
164.11627	0.9
165.12837	2.1
169.12318	0.6
171.10286	1.9
179.05649	1.1
179.10777	0.9
181.12288	3.2
185.11815	1.6
189.09245	1.8
191.05612	1.3
191.10776	0.9
197.11829	2.3
207.10251	57.8
208.10562	3.7
209.11815	100.0
210.12166	5.7
219.15398	0.7
221.11806	0.9
225.11308	30.0
226.11440	1.1
227.12866	13.5
228.13264	0.7
231.10277	1.0
235.08215	3.3
243.12630	0.6
247.13335	0.7
249.11244	1.0
253.09256	8.9
263.12894	1.0
265.14478	1.1
281.13913	0.8
299.15079	0.8
373.23853	1.2
390.24472	0.5
399.21899	4.5
417.22800	4.3
418.23141	0.8
443.19110	3.0
445.20840	1.1
461.20319	8.4
491.26584	0.6
635.30609	13.8
636.31433	3.1
653.31702	15.6
654.32288	2.8
654.57520	0.5
671.32813	24.0
672.33038	3.9
703.35468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
59.01381	2.4
61.69009	0.2
71.01378	2.7
71.54458	0.3
73.02946	0.8
78.95896	0.7
80.02690	0.6
81.03456	0.5
81.53213	0.2
81.56194	0.2
83.01385	0.7
83.05035	2.3
84.02163	0.6
85.02946	0.8
86.00127	0.3
87.00876	0.7
89.02443	1.4
91.04008	0.2
95.01389	0.3
95.05041	0.3
100.00408	0.2
101.02446	2.7
103.03985	0.3
110.98537	0.5
111.08140	0.2
113.02450	1.1
119.03506	0.6
125.06088	0.3
126.05403	0.2
133.05070	0.4
143.03490	0.3
145.05070	0.7
152.99631	0.3
161.04605	1.2
163.11304	2.0
165.12843	1.3
167.01135	0.3
179.05553	0.3
181.12471	0.2
191.10793	0.5
195.13921	0.3
209.11827	58.2
210.12178	3.4
227.12885	7.1
228.13251	0.5
235.08228	6.0
236.08578	0.4
253.09306	6.7
254.09651	0.4
255.23296	100.0
256.23633	8.0
277.21750	0.4
295.22778	2.6
445.20663	0.4
446.41141	0.2
491.32391	1.0
701.47278	1.3
702.48102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99214	0.2
59.01369	0.2
64.90945	0.2
65.03967	0.3
70.17523	0.2
71.01375	1.6
71.55478	0.2
73.02934	0.3
83.01393	0.3
85.02949	0.9
93.03455	48.0
94.03793	1.4
96.96030	0.3
99.00918	0.2
101.02445	0.9
113.02471	0.5
137.02444	100.0
138.02779	4.1
161.04558	0.7
163.04028	0.3
191.05589	1.6
196.12729	0.2
247.74864	0.2
299.07703	18.2
300.08054	1.5
316.31973	0.2
337.03510	0.3
347.00217	0.2
416.07849	0.2
591.61945	0.2
703.16632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94518	0.2
59.01383	0.3
65.03960	0.5
71.01383	1.4
73.02953	0.4
83.01383	0.2
83.61460	0.2
85.02960	1.1
93.03462	47.6
94.03786	1.3
96.95984	0.2
101.02458	0.7
113.02435	0.6
118.98085	1.3
135.80560	0.2
137.02451	100.0
138.02776	3.0
145.74817	0.2
161.04570	0.3
170.61055	0.2
177.79961	0.2
191.05582	1.0
205.93425	0.2
238.00626	0.2
293.12302	0.3
299.07742	18.6
300.08087	1.1
302.35104	0.2
356.95740	0.2
703.16968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	22.5
59.05193	8.2
61.59145	7.2
61.98830	58.4
71.01385	14.0
71.55164	11.1
75.68836	8.1
81.03458	7.7
85.02984	8.6
87.00853	7.4
89.02459	10.3
96.07506	6.9
96.95992	18.9
101.02414	13.3
105.80055	7.5
109.06593	18.1
113.02441	8.8
118.98129	12.0
131.39856	6.7
142.37721	7.5
154.02005	7.1
161.02391	10.6
171.10339	8.6
177.35857	8.5
191.05623	10.4
197.11824	21.9
207.10275	59.9
209.11896	23.6
223.13402	79.4
225.11351	39.9
253.09178	14.7
309.20804	9.0
339.23376	7.2
395.22363	9.9
413.23801	12.9
428.15344	8.4
431.24753	7.7
443.19070	8.6
459.22467	13.7
461.04605	9.3
461.19827	9.3
514.14417	7.1
614.33569	8.2
631.31830	18.0
649.32245	100.0
650.32269	12.7
667.32965	72.2
685.31744	10.3
703.31287	59.2
704.32953	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	698.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
61.98829	100.0
62.98530	0.3
64.44007	0.2
68.01870	0.2
69.46851	1.7
74.62853	0.3
74.76125	0.2
78.95934	0.3
117.03449	3.7
119.05035	0.9
121.02952	1.0
135.17574	0.3
143.76260	0.2
145.02951	7.8
146.03300	0.4
156.74551	0.3
162.03201	0.4
211.13554	0.3
226.56494	0.3
228.47798	0.3
277.21802	0.3
311.22302	0.5
617.38489	4.3
618.38763	0.5
635.39471	33.7
636.39764	7.3
699.45868	0.4
713.03546	0.3
728.81128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
60.99305	1.5
61.98809	0.8
65.00333	1.3
69.28740	1.4
69.29146	5.4
71.01379	1.1
84.13631	0.7
85.02979	1.0
88.98823	6.0
89.53462	0.7
93.03461	1.2
98.19913	1.2
99.14629	0.6
103.59711	0.7
107.01391	1.7
108.02196	1.3
109.02979	1.3
121.02955	2.0
121.89585	0.7
123.00864	0.7
128.14238	0.6
135.00851	0.9
148.01622	1.1
151.00371	7.5
161.04610	0.6
163.00377	1.1
164.00896	0.7
173.04538	1.1
178.99817	4.5
179.03604	1.0
191.05627	6.0
199.77716	0.7
223.08470	0.6
226.02719	0.7
227.03445	1.4
233.02573	0.6
243.02946	5.2
254.02199	1.7
255.02992	17.9
256.03363	0.9
271.02484	36.6
272.02890	3.8
283.02438	1.4
300.02747	77.2
301.03427	26.5
302.03836	1.8
305.00964	1.2
333.00299	1.9
343.04578	0.9
368.21069	0.6
441.40894	0.7
609.14606	100.0
610.14954	15.4
640.06671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.34
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01384	19.2
61.98827	5.6
69.03461	1.3
71.01391	7.7
71.55635	1.4
71.56021	1.7
73.02962	2.6
80.96500	1.7
81.03444	2.8
83.01398	2.2
83.05016	2.5
85.02947	1.9
87.00853	1.4
88.98815	2.7
89.02444	5.1
93.03465	1.3
96.96018	2.4
97.02954	4.3
99.00868	1.4
101.02440	7.6
107.05045	2.2
109.05900	1.6
109.06599	24.5
111.00884	2.1
113.02457	3.2
133.02951	5.8
134.03737	1.9
135.04517	3.4
135.08154	2.3
142.02708	2.1
145.05074	1.6
151.11313	1.4
153.12944	1.4
161.02469	11.4
161.04567	3.0
161.09694	2.0
163.11305	13.2
169.12289	8.3
171.10292	2.8
179.10811	1.6
181.12277	3.5
185.11787	1.9
189.09135	2.0
191.05479	1.8
197.11835	100.0
198.12155	3.7
207.10251	51.4
208.10567	3.2
209.11856	11.4
223.13391	3.0
225.11330	25.7
227.12941	1.3
235.08208	4.7
237.11353	1.2
253.09290	12.6
288.77261	1.2
343.22522	1.4
359.22211	3.8
361.23471	1.4
367.37314	1.3
369.20721	5.9
377.23251	2.1
387.21729	13.1
405.22617	3.1
433.20676	6.9
443.19211	2.6
461.20413	9.5
500.13034	1.4
595.31250	2.3
605.29395	2.0
623.30713	34.5
624.31049	7.7
641.31860	36.3
642.32025	6.9
647.36041	4.4
657.39960	5.3
658.40692	1.3
665.36981	25.4
666.37164	5.3
701.34540	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	696.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
78.95924	0.1
96.82533	0.1
96.96011	0.7
98.95608	0.3
117.03465	0.6
119.05030	0.2
121.02936	0.2
127.48711	0.1
139.27168	0.1
145.02946	1.3
150.50848	0.1
190.87648	0.1
191.05652	0.4
211.37535	0.2
218.99124	0.2
241.64163	0.1
266.29391	0.1
297.49887	0.2
307.25293	0.2
354.42526	0.1
512.16968	0.1
577.27289	0.2
615.36993	0.7
633.37939	7.6
634.38171	1.6
696.37262	0.6
697.36768	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	696.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.54363	0.6
95.84340	0.5
96.96011	0.5
109.97226	0.6
115.49790	0.5
117.03465	4.1
119.05045	1.5
120.78774	0.5
121.02976	0.9
140.35489	0.4
145.02971	10.5
145.04123	0.6
152.99542	0.7
168.44788	0.5
191.05620	1.2
220.46945	0.4
234.20782	0.4
277.21844	1.6
434.84497	0.7
497.02161	0.5
615.36951	4.6
616.37671	0.9
633.37939	30.7
634.38220	6.8
699.62994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26977	2.3
53.90940	2.2
57.58979	2.2
59.01362	8.5
61.98821	3.7
71.01361	5.1
77.48464	2.3
96.95988	5.4
97.47968	2.2
101.02432	3.1
109.96156	2.3
111.33685	2.1
139.15480	2.3
143.49597	2.6
183.13898	3.5
191.05577	7.0
199.13623	2.3
209.11826	54.2
210.12032	5.7
211.13396	100.0
212.13799	5.6
227.12894	20.3
235.08099	7.2
253.09253	7.9
295.22830	16.3
330.67035	2.3
332.76294	2.2
397.13251	3.4
415.14349	3.4
431.98734	2.3
447.22415	17.9
449.14044	4.4
633.39948	6.4
639.33368	7.1
657.34729	4.5
693.32629	50.3
694.33014	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	693.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15676	0.4
59.01379	8.5
69.41535	2.5
69.41949	1.0
71.01387	1.3
74.24921	0.5
76.93179	0.5
79.95728	3.1
81.95320	0.5
85.02975	0.6
87.00863	1.0
89.02451	1.0
93.03457	1.9
95.95275	0.7
96.96013	100.0
97.05032	0.4
98.95596	2.1
101.02454	0.8
109.02947	0.6
111.00858	1.0
133.02966	1.6
133.43721	0.5
135.04541	1.9
141.27655	0.5
161.02556	0.6
161.45869	0.5
167.10756	0.5
173.04533	1.9
177.01918	0.8
191.05614	7.6
215.05698	0.9
227.12906	8.3
228.13274	0.5
305.10608	2.5
306.10919	2.4
307.08591	47.4
307.12231	91.5
308.08881	3.4
308.12543	4.2
314.26941	0.5
351.07211	2.4
517.23083	1.6
693.20105	0.7
696.53259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96399	0.2
59.01376	0.8
61.98829	0.3
67.11445	0.2
71.01385	0.7
73.02946	0.4
76.95885	0.2
85.02956	0.6
89.02457	0.3
93.03463	1.1
96.96025	1.1
98.20667	0.4
99.00889	0.2
101.02453	0.9
108.66859	0.2
117.03485	0.4
119.05032	90.1
120.05370	3.4
128.21544	0.2
133.03000	0.4
135.04530	0.5
145.02960	0.4
161.04611	0.5
163.04016	100.0
164.04332	4.3
173.04546	0.5
191.05609	2.7
192.06075	0.2
233.70454	0.3
235.11856	0.7
250.23384	0.2
325.09293	17.7
326.09537	1.4
351.07040	1.1
367.16095	2.6
525.08521	0.3
581.35785	0.2
622.75458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.6
65.75362	0.5
67.01900	5.3
68.99822	8.3
69.03451	0.7
71.01378	2.6
71.56635	0.8
73.02950	0.9
73.12335	0.6
73.33287	0.4
76.17796	0.4
78.84238	0.4
79.95734	8.9
81.03458	0.9
83.01392	0.7
85.02940	1.0
85.40947	0.5
87.00894	0.7
89.02476	0.6
89.81880	0.5
91.70179	0.4
93.03434	1.0
95.95217	1.5
96.96016	100.0
97.43861	0.4
98.95594	1.8
99.04523	0.6
101.02452	14.1
105.03481	0.7
107.05042	1.5
108.02174	0.5
109.02947	4.2
110.97581	2.3
111.00890	1.5
111.04534	0.6
113.02390	0.4
117.03476	0.5
117.15860	0.5
119.05001	1.0
121.02965	3.6
121.06594	0.5
123.04529	2.1
125.02449	0.8
127.04017	14.5
128.04286	0.6
133.02959	1.7
135.04538	3.7
138.97057	0.8
145.02940	1.3
147.04527	1.9
149.06053	0.5
151.04001	1.3
161.02454	3.2
163.03999	2.1
163.08562	0.6
165.02225	1.4
165.05600	1.0
167.10779	1.1
173.04593	0.5
175.03989	0.6
177.05562	1.0
179.03508	1.2
181.05070	0.6
191.03775	3.2
191.05457	3.6
191.46800	0.5
193.05107	1.3
205.05037	1.0
209.04526	3.6
209.11864	1.5
223.06172	0.6
227.12874	5.5
230.89795	0.5
240.98051	0.5
241.00319	1.1
247.06458	1.3
260.80151	0.5
280.05841	0.5
289.07608	3.1
307.08588	5.6
349.09656	3.5
379.10538	2.0
397.13611	1.9
409.11676	1.8
435.13586	0.6
451.12805	11.7
452.12909	1.0
463.08453	0.7
469.13815	2.3
661.18005	6.0
662.18860	0.6
693.20581	88.7
694.20905	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	693.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29286	0.1
59.01373	0.8
60.99298	0.2
67.01881	0.4
69.82863	0.7
70.57837	0.1
71.01367	0.7
73.02966	0.2
73.56457	0.1
78.52283	0.1
81.03480	0.3
83.05025	0.2
85.02949	5.7
85.89411	0.1
87.00871	1.4
89.00487	0.1
93.03462	3.9
94.03784	0.2
96.96024	0.3
98.19956	0.2
99.00867	0.3
99.04487	0.3
103.00369	0.3
104.05067	0.1
105.03445	0.2
109.02936	0.9
111.04512	0.9
113.02421	0.2
115.00369	0.5
119.05038	0.2
125.02428	0.1
127.04028	1.6
131.03502	0.4
132.04538	0.5
133.02940	2.8
133.04909	0.2
134.03693	0.1
135.04520	2.8
143.03506	0.1
147.04541	0.3
149.06070	0.4
155.03424	0.2
161.02434	1.9
163.03976	0.3
171.03033	0.4
173.04526	2.2
173.06076	0.2
174.03215	0.1
175.02626	0.2
175.04068	0.2
177.01942	1.2
179.03482	1.2
189.05505	0.2
190.05069	0.3
191.05608	100.0
192.05962	3.9
193.03542	0.7
193.06209	0.2
215.05574	0.9
235.06151	0.3
285.03922	0.1
307.08438	0.2
338.08908	0.8
339.06815	1.8
351.07202	3.8
352.07556	0.3
353.08746	17.2
354.09140	1.6
426.11206	0.1
621.14667	0.3
693.16479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
57.03439	3.0
58.00587	2.7
59.01378	54.0
61.98819	3.3
67.01862	0.6
68.99828	0.7
69.03461	2.8
71.01379	60.0
72.99305	3.7
73.02941	9.9
75.00864	1.6
79.54282	0.5
81.03481	0.7
82.45255	0.5
83.01383	5.4
83.05022	2.4
85.02445	1.1
85.02950	19.4
86.00092	2.1
87.00867	6.5
89.02442	41.0
90.02731	0.7
93.03459	1.5
95.01388	4.5
96.95995	2.1
97.02961	1.3
99.00873	4.7
99.04487	1.1
101.02441	33.9
109.06585	0.9
111.00157	0.9
111.00882	12.5
111.53335	0.5
113.02446	24.5
119.03497	16.8
125.02456	2.1
130.04318	0.6
131.03502	1.5
133.02930	0.6
143.03505	6.0
149.04507	1.7
151.07935	0.5
159.02988	2.0
161.04549	21.6
161.05844	0.7
169.12355	0.7
171.10266	3.4
173.00883	1.8
173.04517	0.6
179.05606	20.9
180.05830	0.5
183.13889	3.0
184.85075	0.5
185.11804	1.0
191.05609	5.8
197.11823	1.3
199.09894	0.6
201.11333	1.3
207.10246	1.6
209.11829	4.6
211.13412	7.4
225.11288	1.2
227.12979	0.9
235.08304	0.8
253.09204	1.0
293.21188	11.4
294.21561	0.9
309.20831	0.6
338.22894	0.6
391.26297	1.7
397.13620	2.9
398.14285	0.6
403.26221	1.0
404.23593	1.9
407.25760	6.5
408.26462	1.1
409.27512	1.9
415.14636	3.4
421.27444	41.6
422.27719	5.3
481.29532	0.8
517.51990	0.6
517.73047	0.6
571.32715	100.0
572.33014	16.1
583.32690	20.5
583.42090	0.7
584.33044	3.9
601.33777	14.1
602.33923	2.1
615.31934	2.3
637.32269	1.9
655.32776	1.1
659.33099	0.7
691.34296	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.4
59.01382	2.2
69.56215	0.7
69.56620	1.5
71.01389	1.7
79.95734	0.6
80.02671	1.2
81.03450	1.2
82.37847	0.3
83.01373	0.4
83.05029	4.4
84.02169	0.9
85.02956	0.8
86.87180	0.3
87.00900	0.6
89.02451	1.7
93.03459	0.5
96.96014	8.5
98.20665	0.4
101.02443	2.0
113.02447	1.1
125.06116	0.4
125.09735	1.1
125.10632	0.3
127.11287	1.2
131.01350	0.3
135.08249	0.4
155.10759	0.4
161.04564	1.0
163.11298	3.1
165.09233	0.4
165.12875	1.8
171.10258	1.7
173.04610	0.4
179.05554	0.5
181.12335	0.6
191.05617	1.3
191.10785	0.6
201.11313	22.5
202.11687	0.8
209.11821	100.0
210.12163	6.1
211.12480	0.4
221.11716	0.3
227.12886	15.2
228.13168	1.1
235.08177	2.9
251.30844	0.4
253.06650	0.5
253.09288	8.0
254.09665	0.4
375.21759	0.8
393.22867	0.7
437.20007	1.7
445.20630	3.2
611.30627	0.5
637.32355	0.5
673.34802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85488	0.5
57.03437	1.5
59.01377	5.7
61.98817	1.0
71.01383	7.7
71.08746	0.8
71.09080	0.7
72.14217	0.5
73.02961	0.7
80.02675	0.6
81.03411	1.2
83.01395	1.2
83.05025	4.6
84.02166	0.9
85.02927	1.7
87.00866	1.6
89.02444	2.4
93.03454	0.8
95.01412	0.5
95.05037	0.9
96.95982	0.8
97.06593	4.1
98.07012	0.6
99.59526	0.5
101.02445	3.7
111.00881	6.9
113.02430	2.3
119.03478	0.9
125.09677	0.6
145.04996	0.6
151.10114	0.9
151.11279	12.4
152.11620	0.7
161.04524	1.8
163.11275	3.0
165.12830	1.5
169.12338	70.7
170.12688	2.6
171.10262	1.8
173.00935	0.6
179.05638	0.8
181.12228	0.6
185.11800	0.8
191.05598	1.8
191.10811	0.8
195.10269	2.1
197.11807	0.8
201.11353	0.7
207.10304	1.1
209.11819	52.4
210.12158	2.8
211.13380	2.5
213.11336	9.4
214.11919	0.6
225.11324	0.8
227.12907	4.3
231.95891	0.6
232.25999	0.6
235.08293	1.2
253.09206	3.8
293.21078	0.9
411.27274	0.6
431.19012	1.1
445.20474	1.0
449.20050	2.7
637.32263	1.0
641.31842	1.0
659.32825	100.0
660.33185	16.7
691.35443	10.9
692.35742	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
61.98824	3.0
67.76932	1.6
70.39568	5.8
71.01386	3.1
78.95892	2.2
86.80979	1.8
106.49741	2.0
109.54091	1.6
209.11836	100.0
210.12193	6.8
227.12971	9.5
235.08212	8.4
253.09265	4.7
340.42322	2.4
445.20935	8.6
691.30731	20.7
692.31342	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28042	4.8
59.01358	15.5
61.98811	16.4
71.01373	9.2
71.55089	5.8
85.02966	10.7
86.88823	5.9
89.02435	6.4
93.03421	4.7
96.96011	79.8
101.02406	5.8
107.62343	5.0
109.06577	21.3
119.09528	6.0
120.31873	4.9
121.78735	4.7
122.07872	4.9
163.11270	10.8
194.94710	5.1
198.35442	5.6
207.10249	60.1
209.11780	10.4
211.13409	86.7
225.11316	44.2
235.08171	8.5
253.09198	18.2
275.65894	6.0
284.73480	4.7
348.91556	5.8
401.23224	19.0
419.24081	7.2
447.21957	7.1
461.20078	15.8
609.32556	6.9
619.31610	7.8
637.32300	100.0
638.32501	14.6
655.33398	89.6
656.33392	17.3
691.29694	53.8
691.39941	18.7
692.31122	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	691.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78027	2.6
55.53598	2.6
59.01375	15.6
61.98826	10.8
71.01383	14.7
71.55941	3.2
75.00861	4.0
78.95921	8.5
80.96522	3.2
83.05015	4.1
85.02950	7.2
87.00894	4.3
89.02454	6.6
93.03490	3.2
95.20566	2.7
96.96021	12.5
101.02443	7.5
111.00860	5.8
113.02489	3.6
114.81895	2.8
124.55373	2.9
152.99585	5.4
171.10216	5.8
173.04489	5.3
191.05597	17.7
201.11345	6.0
207.10231	9.0
209.11842	100.0
210.12187	6.6
211.13371	6.4
213.84271	2.9
225.11310	7.1
227.12915	18.0
235.08156	7.2
253.09236	8.6
293.21240	33.5
294.21521	3.4
397.13583	8.6
415.14661	7.9
445.20972	13.7
463.30603	3.7
637.32275	4.9
652.34570	2.9
655.33270	5.0
691.30872	31.0
692.31201	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	691.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39671	0.1
57.03439	0.1
59.01379	0.1
71.01371	0.1
79.95739	3.2
85.02923	0.6
93.03449	0.3
96.96013	100.0
97.95934	0.3
99.04489	0.1
104.71235	0.1
111.76513	0.1
117.53346	0.1
127.54333	0.1
133.02969	0.3
134.03751	0.1
135.04535	0.4
140.49176	0.1
149.73236	0.1
160.01733	0.1
161.02454	1.3
161.04527	0.1
173.04543	0.2
175.04053	0.1
179.03564	0.4
191.05618	4.9
230.44455	0.1
255.03090	0.2
273.10431	0.1
284.03336	0.3
285.04028	0.4
305.06979	0.1
323.07886	0.1
353.08926	0.2
499.12357	1.4
593.15594	0.8
691.18475	0.9
691.29193	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	691.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12598	0.6
59.01375	2.8
67.01904	2.1
69.30273	1.5
69.30668	5.0
71.01386	2.3
81.03477	0.6
83.05030	1.0
85.02950	8.3
87.00889	4.1
93.03465	15.2
96.96013	15.5
99.04525	1.0
101.02419	1.4
109.02937	2.2
111.04511	3.4
113.99378	0.6
121.46452	0.7
123.04511	0.8
127.04024	2.1
132.02217	0.9
133.02945	2.6
134.03749	5.9
135.04529	58.9
136.04865	1.5
137.02551	1.0
147.04582	0.9
149.06050	0.7
155.03493	2.2
159.04443	1.2
160.01649	5.0
161.02467	12.7
161.04546	1.5
163.04099	0.8
173.03279	0.9
173.04565	8.1
175.03970	7.3
179.03506	46.9
180.03867	2.3
191.05609	100.0
192.05974	3.2
193.05009	4.2
196.97542	0.7
225.11269	0.8
280.26224	0.7
289.01425	0.7
295.05966	0.8
323.07724	1.5
325.06888	0.8
335.07626	0.7
337.09314	5.2
341.08737	1.4
353.08813	7.3
367.10254	1.6
387.10788	8.2
388.11252	0.8
392.81647	0.6
452.00040	0.7
473.14774	4.9
499.12390	2.9
515.14197	0.9
517.13690	8.6
518.13641	0.8
691.18774	52.3
692.18823	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	691.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
58.76704	0.5
59.01384	1.8
60.99316	0.5
67.01891	4.9
69.03458	1.5
71.01378	3.8
71.56626	0.6
71.93227	0.5
72.35057	0.5
73.28572	0.5
81.03474	1.5
83.05039	1.2
85.02937	3.7
87.00879	0.6
93.03460	24.8
96.96017	13.1
107.05064	0.7
108.02187	3.7
109.02956	4.9
111.00883	1.8
111.04521	4.8
113.02432	1.0
117.03422	1.1
126.09174	0.5
132.02196	1.4
133.02948	1.8
134.03752	8.3
135.04529	100.0
136.04857	3.9
137.02437	7.1
149.02423	1.0
149.06085	1.4
150.03223	2.1
151.03963	1.0
152.01154	4.1
153.01961	4.4
155.03522	4.7
160.01665	6.2
161.02434	7.4
165.05539	1.2
173.04550	54.4
174.04897	1.2
175.02521	1.1
175.03992	12.3
176.04376	0.5
177.05598	0.5
178.02657	0.9
179.03502	83.4
180.03818	3.4
182.02209	0.7
183.03058	0.8
185.11404	0.5
191.05608	15.6
193.05043	5.3
197.04514	1.0
201.25734	0.4
221.35406	0.5
265.86932	0.6
297.09619	0.6
323.07663	2.3
335.07822	0.8
337.09280	19.3
338.09665	1.2
341.08701	3.5
353.08685	4.7
439.56836	0.5
473.14545	18.7
474.14703	1.6
494.10684	0.9
495.11227	1.0
499.12445	2.0
515.13873	1.4
517.13507	34.7
518.13708	4.1
577.62598	0.6
691.18610	33.1
692.18933	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	691.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45174	0.1
59.01372	0.2
61.26273	0.1
61.98835	0.2
71.01385	0.1
71.55277	0.1
76.76100	0.1
78.85426	0.1
79.95738	3.1
85.02951	0.2
87.00878	0.1
87.74844	0.1
93.03458	0.2
96.96012	100.0
97.95949	0.4
98.58830	0.1
99.04514	0.1
110.11164	0.1
113.22685	0.1
127.04026	0.1
134.03734	0.1
135.04530	0.5
153.01845	0.1
161.02411	0.3
161.04535	0.2
173.04518	0.3
179.03448	0.6
185.50095	0.1
191.05626	1.5
207.98509	0.1
209.31693	0.1
211.04132	0.1
227.03601	0.2
255.03032	0.3
284.03235	0.5
285.03949	0.3
297.07596	0.1
302.16730	0.1
325.07187	0.2
337.34473	0.1
353.09021	0.1
593.14850	0.9
655.25720	0.1
691.19391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.8
55.01867	0.7
58.00599	0.6
59.01375	7.2
61.98519	0.4
61.98824	10.4
69.03452	1.0
69.77611	2.2
69.78017	0.8
71.01382	55.6
71.04996	0.7
72.01718	0.9
72.99308	0.9
73.02937	3.4
78.95912	1.7
80.02679	1.8
80.69675	0.5
81.03460	2.1
83.05023	5.8
84.02156	1.0
85.02950	2.7
87.00885	1.8
89.02451	3.0
93.03452	1.2
95.01385	1.0
95.05035	1.8
96.95997	1.6
97.02941	2.7
97.06565	0.7
99.00891	1.3
99.04536	0.6
101.02438	4.0
107.05051	0.6
109.06594	7.7
110.03741	0.6
111.00871	1.1
113.02428	2.1
119.03500	0.8
121.06528	0.6
123.08118	0.8
125.06071	1.2
125.09731	2.5
127.11285	1.8
127.22657	0.6
130.54604	0.5
135.08148	1.5
137.09718	0.8
138.51811	0.6
149.09731	1.0
151.11284	0.6
152.99579	1.3
155.10707	1.1
161.02368	0.7
161.04564	2.2
161.09650	0.7
163.10017	1.0
163.11284	9.9
164.11617	1.1
165.09187	1.1
165.12848	2.1
171.10263	29.2
172.10648	1.4
181.12312	4.1
185.11783	2.8
189.09183	1.0
191.10738	1.0
197.11819	1.9
199.09737	0.7
199.13350	1.4
201.11325	14.7
202.11678	0.8
207.10258	24.1
208.10551	1.4
209.11813	100.0
210.12161	6.3
211.13359	0.6
215.12856	2.0
223.13364	0.8
225.11319	29.3
226.11710	1.2
227.12886	12.7
228.13258	0.7
235.08244	2.7
243.12326	3.5
251.12846	1.3
253.09302	10.6
263.12738	0.8
311.22375	0.7
373.23892	0.7
399.21957	1.6
417.22729	1.6
443.19180	1.3
445.20593	0.7
452.14563	0.6
461.20404	5.0
635.30743	1.4
642.80719	0.7
651.38037	0.7
653.31152	2.6
671.32733	3.1
672.33722	1.1
689.34003	6.8
690.35034	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
57.87423	0.5
57.98823	0.6
58.00580	0.7
59.01381	6.5
59.83414	0.5
61.86969	0.5
70.40421	1.3
71.01388	54.6
71.05020	0.6
72.01691	0.7
72.99332	0.7
73.02950	3.3
80.02683	1.4
81.03461	2.2
83.01423	1.0
83.05028	6.0
83.13808	0.5
85.02959	2.2
87.00883	2.1
89.02460	2.5
93.03447	1.2
95.01389	0.8
95.05047	1.7
97.02953	3.1
97.06555	0.7
99.00885	1.8
99.04530	1.3
101.02456	4.5
109.06587	7.0
110.03735	1.0
111.04507	1.1
111.08186	0.6
113.02475	3.2
119.03514	1.0
121.06597	0.6
123.08300	0.7
125.02402	0.6
125.06085	1.3
125.09733	2.4
127.11323	1.2
127.54889	0.5
135.08153	2.0
139.07619	1.1
141.83749	0.5
145.05054	0.7
155.10832	1.4
161.04581	2.4
161.09659	0.6
163.11298	10.8
164.11600	0.7
165.12892	2.3
171.10278	30.0
172.10573	1.1
173.04604	1.4
179.10793	0.8
181.12405	2.8
185.11842	2.5
189.09190	1.5
191.05597	2.0
197.11839	1.6
199.09723	0.9
199.13428	0.8
201.11333	16.1
207.10271	20.9
209.11836	100.0
210.12148	4.7
215.12837	1.0
223.13417	0.8
225.11314	26.0
226.11667	1.0
227.12898	12.0
228.13210	0.8
235.08231	3.1
243.12372	2.6
251.12845	1.6
253.09291	10.8
263.12833	0.7
295.10382	0.7
351.25797	0.6
399.21872	0.9
417.22775	2.0
435.24011	0.6
443.19208	1.4
445.20874	0.8
461.20306	4.2
629.95081	0.7
635.30817	1.5
653.31915	3.0
671.32843	2.8
672.34052	1.1
689.33704	5.7
690.34015	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03805	1.2
54.43117	1.2
57.03450	1.6
59.01385	6.5
61.98833	93.3
70.94469	1.1
71.01385	52.5
71.26105	2.1
71.26440	1.2
73.02945	3.2
78.95908	11.7
80.02668	1.6
81.03458	1.8
83.01412	1.3
83.05030	5.1
85.02933	2.5
87.00873	2.1
89.02438	3.5
95.01376	1.5
95.05046	1.8
96.96017	10.2
97.02940	1.9
99.00871	2.7
101.02464	5.6
101.83599	1.2
109.02901	1.3
109.06593	12.2
110.03729	1.3
111.04528	2.2
113.02454	2.1
124.36113	1.2
125.09703	2.2
127.11308	2.4
133.02881	1.2
135.08177	2.4
152.99617	5.9
161.02477	1.6
161.04555	2.1
163.11282	10.3
165.12817	3.8
171.10275	33.1
172.10687	1.9
181.12325	4.9
185.11818	2.5
191.05595	3.1
197.11780	2.9
199.13347	1.7
201.11325	14.8
207.10229	23.5
208.10547	1.7
209.11829	100.0
210.12126	6.0
215.12843	2.9
225.09207	2.5
225.11319	31.3
226.11681	1.9
227.12935	12.2
235.08237	3.2
237.26591	1.4
243.12292	3.0
253.09276	9.4
263.09116	1.5
263.12729	1.5
283.68381	1.3
291.19424	1.4
295.10519	1.6
339.50537	1.3
361.10443	1.5
399.21890	2.0
405.59079	1.4
417.23019	1.7
443.19159	1.7
461.20377	6.3
473.06207	1.2
511.42444	1.5
637.18280	1.5
651.38495	3.5
653.31714	4.1
665.01642	1.5
671.32825	4.1
672.33093	1.6
689.34106	10.2
690.35364	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
57.03438	1.5
59.01377	7.6
61.98819	0.7
65.03964	0.4
67.01862	0.7
68.99815	3.3
69.03446	1.3
70.76122	1.1
70.76482	0.7
71.01381	14.5
71.05014	0.7
72.99307	2.1
73.02943	1.9
76.45758	0.4
80.02693	1.5
81.03461	1.9
83.01395	1.9
83.05022	6.7
84.02165	1.1
85.02943	2.4
87.00880	2.4
89.02457	2.5
93.03461	1.8
95.01424	1.4
95.05038	0.9
96.96007	1.9
97.02950	1.8
97.06592	2.0
99.00890	0.8
101.02448	4.0
107.05015	0.5
108.02186	0.8
109.02970	0.5
109.06580	2.4
110.03738	1.6
111.00892	1.1
111.04517	10.2
111.08155	0.9
113.02463	3.2
113.07275	0.4
114.37322	0.4
119.03522	0.6
119.04988	0.5
121.06579	0.7
122.03722	0.8
123.04521	1.0
123.08190	1.5
125.02466	0.7
125.06060	0.9
125.09718	4.8
127.08751	0.7
134.06131	0.7
135.04549	0.9
135.08124	1.5
137.09688	0.7
149.06029	0.5
149.09727	0.8
151.11261	3.9
153.09213	2.0
155.10785	1.0
161.02502	0.6
161.04541	1.6
161.09724	5.2
163.11259	6.0
164.11661	0.6
165.09151	0.5
165.11548	0.5
165.12830	2.8
169.12340	0.8
171.10262	36.4
172.10616	1.6
177.09222	3.3
179.10760	7.5
180.06694	1.6
181.12288	1.0
185.11786	2.7
187.09697	1.1
191.05624	3.9
191.10811	1.3
195.10362	0.9
197.11859	6.0
199.09735	1.2
201.11288	1.2
205.08684	10.9
207.10260	4.9
209.11810	100.0
209.97922	0.5
210.12122	6.4
211.13377	0.7
213.11278	3.3
221.11906	0.8
223.09738	31.3
223.13408	2.0
224.10054	1.6
225.11330	4.7
226.11626	0.8
227.12865	17.3
228.13156	0.7
235.08202	3.9
241.10858	3.1
250.24165	0.5
253.09242	9.1
257.13043	0.7
260.63306	0.5
266.11813	1.4
371.22281	0.6
382.13452	0.5
397.20221	1.1
405.17419	0.6
405.23141	0.5
407.19043	1.2
415.20990	1.5
440.64563	0.5
441.17780	1.0
445.20569	1.9
445.26178	0.5
459.18689	4.8
461.20166	1.1
477.19785	1.7
581.29736	0.7
623.31024	0.7
633.29083	1.1
643.29669	1.3
649.32349	6.3
650.32813	0.9
651.30243	5.6
652.30652	0.9
669.31256	8.4
670.31201	1.5
687.32227	19.3
688.32849	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	687.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.62760	0.4
59.01385	5.1
69.03469	3.2
71.01393	3.5
71.05010	1.7
73.02949	1.0
80.02687	0.8
81.03455	1.5
83.01395	0.9
83.05032	4.1
84.02178	0.8
85.02962	1.4
89.02456	2.2
95.05042	0.9
97.02964	0.8
97.06602	0.7
98.19869	1.1
101.02477	2.9
101.37493	0.5
109.06619	0.6
113.02444	1.1
119.03464	0.6
123.08191	1.0
125.06074	0.5
125.09694	1.9
128.32124	0.5
135.08119	0.8
141.46663	0.4
151.11304	2.4
151.12361	0.4
153.12851	1.0
154.83772	0.4
155.25822	0.5
161.04640	0.9
161.09781	2.4
163.11295	2.9
165.12840	1.9
173.78055	0.5
179.05693	0.5
179.10768	5.4
184.03526	0.5
191.10762	0.7
197.11841	58.7
198.12157	1.8
199.55052	0.5
208.04985	0.4
209.11833	44.1
210.12186	1.6
223.09776	0.9
225.11320	0.8
227.12860	2.7
235.08179	0.6
237.00986	0.6
241.10817	2.8
253.09256	2.8
277.27496	0.5
313.60516	0.5
415.19855	0.5
443.62354	0.5
477.19659	1.9
669.31250	1.0
687.32318	100.0
688.32648	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	687.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.6
59.01380	8.4
59.01653	0.9
61.98840	0.5
69.03475	1.3
70.18103	1.9
71.01381	7.3
73.02953	1.6
80.02690	1.8
81.03468	3.0
83.01405	1.3
83.05031	7.7
84.02190	1.4
85.02956	3.1
87.00874	1.7
89.02447	3.3
91.83279	0.6
93.03469	1.3
95.01408	0.9
95.05046	1.2
96.96007	1.3
97.02975	1.4
97.06607	0.9
98.20531	0.7
99.00882	1.5
101.02450	6.7
106.49538	0.7
109.06578	3.4
110.03732	0.7
111.00890	0.6
111.04549	1.3
113.02465	2.5
119.03509	0.9
120.99691	0.5
121.06520	0.5
125.06072	0.6
125.09731	1.6
135.04491	0.7
135.08176	1.1
141.01976	0.5
150.78877	0.5
151.11273	1.2
153.12868	0.9
161.04564	1.6
161.09750	1.5
163.11298	6.9
165.12862	2.2
169.12343	34.2
170.12672	1.4
171.10266	9.8
179.05644	0.9
179.10773	2.2
181.12335	2.0
191.05620	5.0
191.10793	1.3
195.10445	0.6
197.11830	40.7
198.12158	1.8
199.09779	0.6
199.13362	0.9
201.11382	1.2
205.08794	0.7
207.10292	8.6
208.10641	0.6
209.11839	63.7
210.12154	3.3
213.11363	0.6
215.12985	0.6
223.09796	3.4
225.11340	8.3
225.48338	0.5
227.12886	7.6
235.08221	1.6
241.10855	1.3
243.12344	1.3
253.09274	6.1
340.44971	0.5
403.10455	1.0
443.19424	0.5
445.20593	0.6
459.18695	0.8
461.20160	1.9
477.19757	0.9
509.71042	0.5
615.30365	1.5
642.76373	0.5
651.30219	2.1
669.31299	2.9
687.32281	100.0
688.32721	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04636	0.5
55.01883	0.6
57.03450	1.4
58.00615	0.6
59.01382	10.5
61.98834	0.8
68.99817	1.5
69.03457	1.8
69.38522	4.5
71.01383	10.1
72.99340	1.5
73.02962	1.8
80.02679	1.2
81.03461	2.5
83.01409	1.7
83.05020	7.4
84.02177	2.6
85.02954	4.4
87.00889	2.6
87.04487	0.8
89.02425	4.8
93.03473	1.9
95.01396	1.1
95.05032	2.1
96.96006	3.4
97.02953	1.3
97.06588	1.5
99.04495	1.0
101.02434	7.8
109.02944	0.7
109.06602	2.0
110.03763	1.0
111.00880	2.0
111.04549	3.8
113.02459	4.2
119.03490	1.8
120.99657	13.0
123.04543	1.0
123.08167	1.6
125.02415	0.7
125.06078	1.2
125.09710	2.4
133.02943	0.7
135.04544	1.1
135.08174	1.6
137.02525	0.6
145.05061	0.6
150.06836	2.3
151.11290	2.3
153.09233	1.5
153.12845	1.9
161.02431	1.0
161.04552	2.4
161.09734	2.3
163.11273	5.9
163.49370	0.6
165.12825	3.0
169.12335	28.9
170.12650	1.4
171.10266	17.6
173.04573	0.9
177.09210	1.1
179.03503	0.8
179.05431	0.7
179.10779	4.7
181.12363	1.3
183.10231	1.0
185.11804	1.3
191.05626	9.0
191.10825	1.7
192.05826	0.6
197.11832	56.6
198.12163	3.3
199.09837	0.8
199.92679	0.6
201.11333	0.8
205.08669	3.3
207.10262	3.4
209.11818	89.7
210.12149	5.0
210.65756	0.6
213.11246	1.7
223.09741	11.4
224.10014	0.7
225.11288	4.5
227.12881	10.0
235.08267	2.1
241.10788	1.8
253.09283	7.0
290.23398	0.6
328.08389	0.6
358.19342	0.6
363.21796	0.6
407.19089	0.9
415.21167	0.8
433.20758	1.3
459.18616	2.4
461.20227	1.1
508.12064	0.7
525.34161	1.0
537.92371	0.7
612.38617	0.8
615.31329	0.8
627.33020	0.8
633.29089	0.6
643.30011	0.9
645.34515	1.0
651.29926	2.3
669.31073	4.3
677.87335	0.7
687.32117	100.0
688.32593	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	685.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01384	6.4
59.44069	0.5
65.03933	0.4
69.03461	4.7
71.01385	4.4
71.05013	1.1
73.02937	1.1
80.02670	0.6
81.03450	1.2
83.01379	0.7
83.05009	1.5
85.02936	2.0
87.00869	1.2
89.02439	2.5
93.03426	1.0
95.01407	0.5
95.04999	0.5
96.95999	2.1
97.02940	3.0
97.06571	1.6
98.19846	1.0
99.00867	1.3
101.02438	4.2
106.04219	0.5
107.04987	0.9
109.02987	0.8
109.06596	13.7
110.06892	0.5
111.00877	1.5
111.04507	0.5
113.02450	1.3
119.03511	0.8
119.05031	0.5
121.06605	1.1
123.08160	1.2
125.09734	3.3
135.04454	0.6
135.08159	1.7
142.02687	0.9
149.09602	0.9
151.11316	2.7
153.12836	0.8
161.02451	1.1
161.04619	0.6
161.09711	4.4
163.11307	6.6
179.10780	6.2
181.12335	2.0
185.11864	1.2
189.01932	1.3
191.05626	2.8
197.11829	51.2
198.12149	2.7
207.10248	20.7
208.10661	1.1
209.11850	2.3
223.09799	0.6
225.11313	8.7
226.11581	0.6
235.13219	0.6
239.12843	0.6
241.10847	3.7
253.09181	2.2
322.56546	0.5
350.93387	0.4
361.25317	0.5
427.46024	0.5
459.18680	0.8
461.20154	1.2
477.19647	2.8
599.12952	0.8
623.30725	0.9
641.31799	0.9
667.29633	1.0
685.30701	100.0
686.31024	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	685.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12788	0.9
59.01385	17.1
71.01395	11.2
71.56288	1.5
73.02940	1.6
80.02681	1.2
81.03445	2.0
83.01403	1.9
83.05013	5.7
84.02141	1.0
85.02950	2.1
87.00880	3.1
89.02453	13.3
93.03483	1.6
96.96005	2.2
97.02954	2.9
99.00860	1.6
101.02449	8.4
108.02208	1.4
109.02973	2.7
113.02457	6.1
114.70676	1.1
119.03540	3.9
125.02484	5.2
135.01328	1.2
137.02441	3.1
143.03502	1.8
145.02885	1.3
152.01077	1.8
153.01959	1.6
161.04549	2.1
163.11298	3.8
165.12856	2.1
173.67598	1.2
179.05563	2.6
191.05600	5.7
209.11844	100.0
210.12143	4.8
227.12910	18.1
228.13188	1.3
235.08224	5.2
253.09341	2.6
277.50201	1.1
287.07755	1.1
331.16153	1.2
397.13525	46.2
398.13889	2.2
415.09622	2.0
415.14597	20.7
523.15692	2.4
607.26392	2.6
685.23364	2.0
686.23425	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	683.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
58.00587	1.2
59.01382	37.6
71.01387	30.6
71.54028	0.5
72.01716	0.4
72.99314	1.7
73.02942	1.4
74.69015	0.3
75.47979	0.3
83.01396	0.9
85.02960	4.6
87.00864	1.9
89.02448	40.0
90.02774	0.5
95.01411	1.9
96.95992	0.5
99.00916	0.7
99.04552	0.7
101.02450	15.3
113.02454	12.4
114.02838	0.4
115.00336	0.5
117.01926	1.4
117.05585	0.8
119.03500	11.4
131.03532	1.6
131.48901	0.3
135.11009	0.4
143.03505	2.8
147.02966	1.0
149.04590	1.0
161.04558	3.8
179.05620	14.0
191.05591	1.0
221.39038	0.4
225.83073	0.3
279.10840	5.3
341.10886	100.0
342.11218	6.1
405.24341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83411	0.6
53.85249	0.6
59.01388	1.0
59.70520	0.6
61.98832	100.0
68.39275	0.6
70.83595	0.6
71.01125	0.9
71.02504	1.0
72.00919	2.5
81.54288	0.7
82.01734	0.9
84.20348	0.6
91.05545	0.9
93.03455	0.7
97.00448	1.0
98.01250	1.3
101.23190	0.6
104.19698	0.6
107.05064	0.7
111.02035	1.1
116.05093	3.1
118.06628	1.1
119.05024	4.2
127.21927	0.6
133.05325	0.8
134.06105	3.6
135.04472	0.9
138.91118	0.7
146.06093	3.9
147.04562	1.5
151.65482	0.7
160.83241	0.7
161.02440	1.3
161.04565	0.6
161.07224	1.0
161.74156	0.7
162.05557	3.1
162.82361	0.7
163.04045	2.9
173.07260	1.6
174.05777	0.7
180.06660	10.9
180.08115	0.9
184.52263	0.6
189.06708	9.4
191.05698	0.8
191.08211	0.9
200.05969	1.8
201.06758	1.0
203.30293	0.8
206.04713	0.6
210.31973	0.6
247.12383	3.6
255.23384	1.5
264.10422	0.9
266.11877	5.1
275.11960	1.7
276.10406	1.0
277.21744	2.6
291.11523	1.1
292.09821	0.9
293.12982	0.8
309.13138	0.7
310.10855	0.9
312.12500	0.9
320.28928	0.7
327.13525	3.0
395.17804	1.8
410.09619	0.7
421.15616	0.9
439.16928	1.2
457.17899	1.0
484.19400	1.0
500.18271	8.8
501.18939	1.7
549.11938	0.7
599.19623	0.7
602.22845	4.6
620.23993	56.6
621.24390	9.7
647.38641	1.3
683.37671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54365	1.1
57.03448	79.9
59.01380	53.3
61.98827	3.3
67.01879	1.5
70.98052	0.9
71.01379	6.4
73.02940	1.2
79.95728	4.2
80.96519	1.2
83.01373	1.7
85.02966	4.9
86.12334	0.9
87.00867	1.3
87.60885	1.0
89.02462	1.3
93.03444	5.1
96.96006	53.9
97.68842	1.0
98.19881	3.4
99.00899	1.6
99.04517	83.1
100.04853	1.3
101.02444	29.9
103.00368	15.4
104.22578	1.1
107.15836	1.1
109.03010	1.2
111.00828	1.3
113.02467	1.1
119.04995	2.3
121.02941	5.1
123.06851	1.0
125.02449	8.5
128.16975	1.0
133.02982	1.5
134.06105	1.3
135.04538	2.6
143.03508	1.4
146.06093	1.6
153.01912	1.1
153.05545	1.8
161.02437	2.0
161.04555	58.5
162.04915	2.1
163.03979	1.6
164.04768	1.4
164.98578	2.5
173.04546	4.1
179.03488	1.6
180.06615	1.8
187.05150	1.1
191.05602	16.4
192.06044	1.0
193.05008	1.6
197.04556	7.3
216.05482	1.2
223.06026	3.0
266.11688	1.7
373.22147	1.3
415.23209	1.1
435.17365	1.8
453.17752	3.8
477.17834	3.9
495.18951	8.3
529.28674	1.0
559.27405	2.4
597.22083	8.7
639.23267	55.2
640.23444	8.2
647.28839	16.2
648.29144	4.0
665.20416	1.3
683.22174	100.0
684.22418	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	683.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23623	0.3
54.58160	0.4
59.01394	1.2
60.99298	0.6
63.52839	0.3
67.01898	2.9
69.03467	0.4
69.33559	2.6
71.01376	2.3
72.99297	0.4
80.02188	0.3
81.03471	0.7
83.05047	0.6
85.02952	4.9
87.00889	3.4
89.02445	0.5
93.03462	15.2
94.03809	0.5
94.46478	0.3
95.01371	0.7
96.96013	1.2
98.20732	0.4
98.95632	0.3
99.00878	0.4
99.04519	0.9
101.02416	0.5
105.03473	0.7
107.05099	0.3
109.02973	1.1
111.00865	0.5
111.04520	2.2
113.02457	0.5
119.05024	1.7
121.02978	0.6
123.04478	0.3
125.02493	0.4
127.04027	1.4
129.01942	0.5
133.01465	0.4
133.02962	3.9
134.03769	0.8
135.04536	13.7
136.04893	0.4
137.02455	0.6
139.00392	2.3
140.01167	1.8
143.03535	0.4
145.02940	0.4
151.03967	0.4
153.01962	1.6
154.02707	1.8
155.03506	3.9
161.02455	5.2
163.04025	1.4
167.03563	0.4
167.07091	0.4
171.03015	0.5
173.04570	4.2
175.03896	0.4
177.01970	0.6
178.02779	0.5
179.03505	9.9
180.03896	0.3
191.05621	100.0
191.92323	0.3
192.05969	3.2
207.10262	0.3
215.05482	0.4
225.11189	0.4
242.12921	0.3
268.18350	0.3
276.01932	0.3
291.23291	0.3
297.09586	0.3
308.09000	0.4
317.08798	4.5
351.07147	0.8
353.08792	39.5
354.09192	2.4
367.10208	2.0
395.04868	0.6
395.09747	6.2
396.10120	0.5
400.03973	0.3
425.10818	1.0
455.11850	2.0
515.14294	0.8
521.12537	0.4
556.34180	0.3
683.18286	11.7
684.18451	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
59.87438	0.5
60.99306	20.1
61.62596	0.5
67.17088	0.5
85.02961	0.6
88.98804	100.0
89.02435	0.9
89.99171	0.9
93.03465	1.2
96.96024	0.9
101.02422	0.6
107.01402	0.7
108.48422	0.5
109.06570	0.7
115.53189	0.5
135.04553	0.5
151.00368	1.4
163.00299	0.8
181.12399	0.5
185.06049	0.9
191.05641	1.7
207.10251	2.2
225.11273	2.5
227.03455	9.3
228.03802	0.6
229.05145	2.5
235.33093	0.7
255.02983	15.5
256.03577	1.9
257.04550	2.2
284.00894	0.4
284.03247	25.7
285.04028	31.7
286.04434	2.3
397.13486	0.7
415.14429	0.7
593.15082	63.5
594.15448	9.1
623.25836	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	683.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97903	0.5
52.02136	0.5
55.81607	0.5
56.02088	0.6
57.18412	0.5
59.01378	1.8
60.99311	16.5
69.27061	4.2
69.27477	1.1
71.01385	1.4
76.08062	0.6
85.02964	1.3
88.98811	100.0
89.02450	0.9
89.99165	1.0
93.03436	1.1
96.96053	0.7
97.02975	0.7
102.44374	0.7
109.06548	0.7
127.94165	0.5
135.04512	2.2
151.00374	1.2
161.02490	0.6
163.08286	0.6
165.05580	0.6
179.03496	0.9
191.05643	8.7
193.04909	0.6
207.10338	1.7
225.11221	1.3
227.03499	7.4
229.05005	1.1
255.03015	12.8
256.03586	1.2
284.03259	31.4
285.03992	12.7
319.18115	0.6
333.66684	0.7
353.08783	1.8
397.13617	0.9
415.14722	0.9
593.15094	54.4
594.15479	5.2
623.25250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01382	1.7
67.01892	3.5
69.03458	0.9
69.46378	1.6
71.01379	3.3
73.02948	0.5
81.03454	0.6
81.15167	0.3
83.05018	0.7
85.02958	0.9
87.00900	0.3
89.02478	0.6
92.13829	0.3
93.03460	20.3
94.03780	0.4
96.96030	1.6
101.02473	0.4
103.72346	0.3
109.02938	0.7
111.00905	1.6
111.04528	4.2
113.02426	0.4
119.05014	0.7
121.02955	18.6
121.06689	0.3
122.03313	0.3
122.52515	0.2
127.03999	0.4
135.04529	0.5
137.02443	3.9
145.02998	0.3
155.03502	3.7
163.03993	1.3
173.04547	100.0
174.04898	3.4
177.01926	0.8
191.05626	3.0
209.11848	0.6
295.08243	40.4
296.08505	2.0
343.81870	0.3
410.73364	0.3
519.24609	1.4
681.19373	0.4
681.29553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87204	0.8
53.24293	0.9
59.01377	7.5
61.08567	1.0
61.98830	3.3
71.01384	6.6
71.55033	1.5
74.66865	1.0
75.00863	1.2
81.03483	1.3
83.05009	3.2
85.02960	3.9
87.00875	2.1
89.02440	1.8
90.62566	0.9
93.03482	5.0
96.96007	7.0
99.00888	1.1
101.02461	5.1
111.00837	4.9
111.42490	0.9
113.02452	2.6
115.92095	0.9
116.92856	1.5
125.02551	0.9
125.09673	1.2
139.91714	1.0
143.49594	1.1
152.99533	1.3
161.02441	1.1
161.04510	2.5
163.11305	2.3
165.12822	1.1
169.12334	3.6
171.10272	100.0
172.10606	3.8
173.04573	2.3
191.05609	17.2
197.11867	4.7
206.88307	1.0
209.11832	84.0
210.12097	4.7
212.09238	0.9
215.99147	1.0
227.12881	14.2
235.08205	3.5
249.90858	1.0
253.09268	7.6
292.81290	0.9
341.53143	0.9
407.19104	3.9
445.20639	3.0
573.02563	1.0
581.29138	1.1
624.96906	1.0
655.32050	1.1
659.26471	3.2
659.34369	1.7
677.36292	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	677.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
55.38521	0.2
56.93310	0.2
57.03457	1.0
58.00598	1.9
59.01384	35.1
61.98840	1.3
62.63726	0.2
67.01912	0.3
68.99808	0.4
69.03461	2.0
71.01385	32.3
71.55540	0.3
72.01732	0.7
72.99314	2.6
73.02951	4.9
75.00887	0.6
78.05305	0.2
81.03468	1.7
82.95419	0.5
83.01400	3.8
85.02954	6.8
86.00117	0.3
87.00881	8.6
89.02451	27.8
90.02798	0.4
91.04009	0.6
93.03468	0.5
95.01393	2.4
95.04998	0.3
96.96003	0.3
97.02958	5.7
99.00887	1.9
99.04540	0.3
101.02451	26.9
102.02817	0.5
103.00401	0.3
103.04028	0.5
109.02951	0.4
111.00871	0.6
111.04514	0.9
113.02456	14.0
114.02814	0.4
115.04018	0.4
119.02660	0.4
119.03507	8.3
121.02916	0.5
123.00916	0.3
123.04617	0.3
125.02458	10.9
126.02757	0.3
127.03983	0.5
129.21866	0.3
131.03517	1.4
133.05058	1.2
137.02467	0.4
139.04066	0.8
141.01935	0.6
142.02760	0.3
143.03510	4.6
149.04601	0.9
159.86082	0.3
161.02496	0.4
161.04553	6.7
162.04927	0.4
167.03490	0.6
171.03004	0.3
179.03754	0.3
179.05621	5.4
185.04581	0.7
199.06151	0.6
217.07230	0.9
221.06676	2.4
235.08243	13.2
236.08607	0.4
245.06697	0.6
253.09241	3.0
254.84113	0.3
261.22232	0.3
263.07663	1.5
277.09244	1.0
279.23291	100.0
280.23615	7.4
287.07730	3.2
293.24802	0.4
305.08792	4.4
323.09961	1.2
361.11322	0.4
362.11743	0.3
379.12488	0.8
397.13516	82.2
398.13882	5.5
415.14600	34.1
416.14893	2.6
515.33679	0.7
521.64258	0.3
677.36713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
58.51729	0.9
59.01378	26.2
61.98822	2.2
67.01883	1.2
67.19537	0.8
71.01378	7.0
72.46878	0.9
72.99313	1.1
73.02934	1.5
75.00888	2.3
78.26917	0.9
79.19473	0.8
79.95737	1.1
80.02664	0.9
81.03462	1.0
83.01389	1.5
83.05034	3.3
85.02953	5.4
85.26038	1.0
87.00869	3.8
89.02451	3.1
93.03465	6.3
95.01347	1.0
95.82745	0.8
96.96008	10.0
98.95540	1.4
99.00895	1.4
101.02454	5.6
111.00889	6.3
111.04552	1.0
112.98588	1.3
113.02443	3.7
125.09708	1.2
127.11266	1.5
134.03667	2.0
134.32343	0.9
135.04532	2.2
137.02519	1.0
151.11273	3.2
158.58969	0.9
160.32336	1.0
161.04576	2.3
163.11273	3.1
167.03493	2.0
169.12328	24.4
170.12682	1.4
171.10268	51.6
172.10577	1.9
173.04535	3.4
175.04024	1.1
187.07570	1.0
191.05595	23.3
192.06055	1.0
201.16519	0.9
209.11821	54.3
210.12125	5.9
213.11224	2.2
221.08153	1.1
227.12877	6.5
230.14969	1.1
231.12407	1.9
235.08168	1.7
253.09239	5.2
441.02829	1.0
445.20847	1.1
449.20392	1.6
467.21188	2.0
543.17688	0.9
659.32642	3.8
677.34180	100.0
678.34338	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.3
57.51535	1.0
59.01380	5.3
60.99302	2.2
61.10448	0.9
67.01893	10.4
69.03449	2.4
71.01374	6.3
71.55676	1.3
79.95753	5.8
81.03470	1.4
83.05004	2.5
85.02961	2.9
87.00880	14.4
89.02443	2.0
93.03461	54.7
94.03809	1.0
96.96014	100.0
98.95615	5.3
99.04522	1.8
101.02484	1.8
101.77089	0.9
111.00881	84.3
111.04504	8.4
112.01239	2.5
113.02444	2.5
116.92834	1.4
127.04053	1.2
129.01987	1.5
133.02998	1.9
134.03755	4.3
135.04500	4.8
138.41455	1.0
147.19565	1.0
155.03558	2.2
161.02406	1.6
162.03188	1.5
163.04068	1.0
173.00922	12.2
173.04539	27.1
175.57983	0.9
191.05598	14.4
191.07146	1.3
209.11818	1.7
227.12971	0.9
231.10307	2.5
267.07199	0.9
275.09259	3.6
289.07306	1.5
307.08664	1.5
353.37744	0.9
449.14517	67.9
450.14816	5.9
467.16037	2.0
677.28461	54.9
678.29059	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13964	0.7
57.03440	1.1
59.01383	14.4
60.98871	0.7
61.98808	0.7
65.03963	2.2
67.01916	0.9
68.99812	2.0
69.03458	1.1
71.01387	4.4
73.02948	5.4
78.29520	0.9
79.95742	5.8
81.03461	1.6
83.01381	3.5
85.02953	2.7
87.00880	1.4
89.02447	1.9
91.05525	1.6
93.03465	62.5
94.03815	1.7
96.96017	100.0
97.02979	0.8
98.95576	4.6
99.00864	0.9
99.04520	1.3
101.02437	4.7
107.05024	4.4
109.06596	0.9
111.00867	1.6
111.04540	1.8
113.02457	2.2
115.04021	1.0
119.05040	16.2
121.02991	0.8
121.06607	1.0
123.04526	1.6
133.02911	1.3
135.04533	13.3
136.04826	1.0
137.01460	1.1
137.02457	17.6
137.06091	16.9
137.75360	0.7
138.02711	1.0
138.06366	0.9
139.04065	0.8
155.03491	1.7
161.02440	3.9
161.04575	2.8
163.04002	13.2
164.04439	1.0
164.16379	0.7
167.10715	2.0
168.98134	0.8
173.04578	3.8
173.05887	0.7
179.03481	2.9
181.05089	15.8
182.05457	1.1
191.05608	8.2
202.06299	1.5
207.02956	4.9
225.04001	2.3
227.12924	7.6
229.08719	1.8
241.00240	1.1
251.12799	2.9
256.99677	0.9
258.99292	1.8
265.25586	1.0
269.13818	2.5
273.07690	1.0
289.07468	2.4
307.08588	4.9
335.24680	0.9
343.10208	1.6
349.09558	2.7
353.08646	1.4
371.09647	1.6
379.10773	1.6
409.11572	1.4
451.12827	18.2
452.12640	1.5
459.12988	1.5
469.13855	1.1
515.13519	5.8
533.13208	1.0
553.23071	1.8
589.18958	1.3
590.85895	1.0
633.18060	5.4
659.16791	1.0
677.17242	92.2
678.17786	13.3
678.28778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92253	1.1
57.03244	0.9
57.03456	10.3
59.01387	17.4
62.27829	1.1
65.03967	1.3
67.01873	2.4
69.03455	2.0
70.82532	3.2
71.01376	7.0
72.99313	7.4
73.02940	4.0
79.95747	4.6
81.03466	2.1
83.01386	3.4
85.02944	3.7
87.00877	2.1
89.02464	2.1
91.05546	2.3
93.03465	83.5
94.03795	2.7
96.96019	94.5
98.20081	1.2
98.95590	2.0
99.04522	13.6
101.02431	7.9
103.16859	1.0
104.85382	1.1
107.05036	5.0
109.02937	4.3
109.03610	1.2
109.06603	1.1
111.00919	1.8
111.04527	5.0
113.02464	1.5
117.03510	1.3
119.05048	17.9
121.02976	1.6
123.04513	5.3
123.08170	1.4
133.02946	4.2
134.03647	1.3
135.04538	63.7
136.04890	2.8
137.02457	30.3
137.06087	18.2
138.02853	1.3
145.02950	1.6
151.03888	1.4
153.05565	1.7
155.03514	11.1
161.02492	19.1
161.04546	17.9
163.04041	14.0
167.10741	2.7
171.94467	1.5
173.03108	2.0
173.04575	33.7
179.03522	26.0
181.05093	18.3
191.05632	26.9
192.05960	1.5
197.04530	10.9
207.02959	4.4
225.04088	1.7
227.12901	8.5
229.08679	1.6
233.06621	1.5
243.20317	1.3
251.13016	2.7
289.07605	1.9
307.08673	4.1
323.07745	3.8
335.07724	8.7
349.09775	2.5
353.08774	15.0
371.09824	21.9
372.10144	1.3
379.10727	2.1
409.11655	1.4
413.10739	2.1
433.90952	1.1
451.12759	16.7
452.13086	1.4
459.12781	7.5
469.13513	1.4
485.11276	2.1
497.12662	5.5
503.12155	2.7
515.14087	42.2
516.13995	3.6
533.13086	11.1
553.23151	1.5
589.19611	1.6
633.18451	3.8
677.17480	100.0
678.17578	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	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82390	0.2
55.01887	1.6
56.74061	0.2
57.03452	1.2
58.00593	2.7
59.01383	47.7
60.01727	0.4
61.98835	2.5
67.28323	0.2
68.99808	0.5
69.03453	2.7
71.01386	40.1
72.01744	0.3
72.99308	2.8
73.02951	6.7
75.00890	0.8
78.95924	0.6
81.03459	1.8
83.01389	4.6
83.05020	0.3
85.02959	8.3
86.00109	0.4
87.00882	9.5
87.04507	0.4
89.02450	36.9
90.02768	0.5
91.04014	0.8
93.03466	0.6
95.01395	3.3
95.05039	0.3
97.02950	7.3
98.03312	0.4
98.19869	0.6
99.00881	2.8
99.04559	0.6
101.02450	33.1
102.02802	0.5
103.00392	0.5
103.04034	0.5
109.02958	0.9
111.00867	0.6
111.04522	1.2
113.02456	16.0
114.02821	0.4
115.04034	1.1
119.03501	11.3
121.02995	0.4
123.00951	0.4
123.04527	0.4
124.01671	0.3
125.02455	13.3
126.02856	0.3
127.04047	0.5
127.07643	0.5
129.01898	0.3
131.03513	2.0
133.05075	1.3
137.02457	0.4
139.04012	1.7
141.01941	1.0
143.03508	7.8
149.02466	0.3
149.04573	1.1
152.99605	0.3
161.04567	7.9
167.03526	0.9
169.05084	0.6
171.02850	0.5
179.05627	6.5
181.05096	0.4
185.04530	0.8
199.06123	0.5
203.05603	0.3
217.07162	0.9
219.05052	0.3
221.06697	2.2
233.22800	0.6
235.08228	15.7
236.08444	0.5
238.18405	0.3
245.06671	0.8
253.09262	3.9
259.20682	0.4
263.07755	2.0
275.20245	0.5
277.09323	0.9
277.21719	100.0
278.22083	8.6
287.07739	4.0
291.23279	0.4
305.08807	4.7
323.09723	2.5
361.11298	0.8
379.12625	1.4
397.13507	96.8
398.13831	6.7
415.14578	37.7
415.20450	0.5
416.14944	2.4
424.22659	0.3
675.35461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.8
59.01389	6.3
59.16895	0.5
61.98835	0.6
68.25024	0.6
69.03455	1.3
70.61983	1.8
71.01385	5.8
72.80283	0.5
72.99336	1.2
73.02943	1.0
74.70606	0.5
75.00867	1.6
79.76466	0.6
79.83601	0.5
79.95727	0.6
80.02681	1.2
81.03458	1.5
82.95422	0.8
83.01411	0.9
83.05029	4.8
84.02154	1.3
85.02947	2.3
87.00894	2.9
88.16979	0.5
89.02462	4.0
92.46712	0.5
93.03461	2.2
95.01340	0.7
95.05054	0.9
96.96017	15.0
97.02937	0.6
97.06583	1.6
99.04566	0.8
101.02464	4.8
109.02910	0.6
109.06616	1.1
111.00883	1.8
113.02431	1.8
119.03524	1.2
123.08189	1.1
125.02444	0.5
125.09723	3.0
127.04034	0.5
133.03000	0.7
134.03711	0.6
135.04498	1.5
135.08186	0.7
137.02383	0.9
139.11284	2.1
141.12852	1.8
151.11320	0.9
161.02470	1.5
161.04587	2.0
163.03983	0.7
163.11308	4.2
165.12885	1.9
167.10782	4.1
169.12375	3.1
171.10269	4.2
173.04559	1.6
174.03188	0.5
179.03586	1.1
185.11836	60.6
186.12129	2.5
191.05592	7.5
191.10806	0.6
192.05945	0.5
197.11926	1.0
199.13422	0.7
201.11314	1.5
207.10184	0.6
209.11835	56.5
210.12196	5.0
211.09779	1.3
211.13283	0.7
213.11267	0.6
215.07254	0.6
225.11305	1.0
227.10728	0.9
227.12885	9.6
228.13268	2.2
229.10789	1.6
235.08208	1.2
253.09326	4.6
447.18860	0.6
465.19958	1.9
473.90894	0.7
531.51904	0.7
542.20557	0.7
589.30890	0.8
603.30310	1.5
615.33545	1.0
631.30206	0.8
657.31354	2.9
675.32410	100.0
676.32678	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	675.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99397	0.4
57.03435	1.1
59.01378	2.9
70.40306	0.6
70.40672	0.8
71.01379	3.2
72.99306	0.5
73.02946	0.7
75.00880	1.2
75.46928	0.4
77.55309	0.4
79.95731	6.5
80.96519	1.2
85.02950	3.3
87.00898	0.4
89.02444	1.2
91.08601	0.4
93.03459	5.3
95.95245	1.1
96.96009	100.0
97.02916	0.5
99.00882	1.8
101.02461	0.7
105.08510	0.3
115.03986	0.5
115.26624	0.4
118.76822	0.3
119.05058	1.5
129.01955	2.4
135.04480	0.6
137.02455	1.5
137.06081	1.2
138.97035	1.0
150.97090	0.8
152.98659	1.1
158.70732	0.3
159.02971	0.3
163.03963	1.1
163.71857	0.4
168.98116	1.5
173.04558	0.4
176.98668	0.8
177.04045	5.7
181.05064	1.4
191.05579	0.7
194.39346	0.4
194.99678	0.9
198.99220	0.4
213.00806	0.5
225.11333	0.7
241.00238	3.5
249.11580	0.4
256.99704	30.7
257.99982	0.8
301.03125	0.6
305.06992	0.5
318.86603	0.4
401.97592	0.4
449.10846	1.9
612.15808	1.1
612.44708	0.4
628.33301	0.4
675.15942	5.9
675.25433	77.9
676.15991	1.0
676.25757	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	675.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.2
59.01368	0.9
61.98830	0.4
67.01911	0.3
69.03461	0.2
71.01372	1.0
71.55593	0.1
73.02941	0.3
78.20827	0.1
79.95732	0.4
81.03435	0.2
83.05027	0.2
85.02947	5.2
87.00869	1.3
89.02440	0.2
93.03454	3.8
95.86015	0.1
96.96012	5.0
99.00832	0.2
99.04515	0.3
101.02457	0.3
109.02944	0.5
111.04513	1.0
113.02470	0.1
117.03432	0.2
119.05015	0.9
127.03999	1.4
135.04552	0.2
137.02428	0.4
137.06049	0.1
143.03326	0.1
145.02907	0.9
153.01950	0.2
153.74300	0.1
155.03506	0.3
161.04567	0.2
163.04002	1.2
169.20642	0.1
171.03020	0.5
173.04541	1.9
179.03423	0.2
181.05011	0.2
185.03847	0.5
191.05608	100.0
192.05946	3.5
193.92404	0.1
204.12238	0.1
204.83708	0.1
241.00237	0.2
299.67200	0.1
337.09268	26.7
338.09589	2.5
339.05005	0.2
347.56674	0.2
456.98007	0.1
478.24509	0.1
675.14575	0.8
675.26111	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49782	0.6
59.01383	10.6
61.98824	1.9
65.03979	0.8
68.99815	1.5
71.01392	2.8
73.02950	3.4
79.95741	6.4
81.03465	0.7
83.01404	2.5
85.02970	1.8
87.00893	1.1
89.02478	0.7
91.05548	1.5
93.03465	53.0
94.03812	0.9
95.05048	1.0
95.95261	1.0
96.96017	100.0
98.20660	1.7
101.02453	2.2
107.05031	3.9
108.02161	0.8
109.02910	1.0
111.04526	1.5
113.02432	0.8
117.03424	0.8
119.05036	13.1
121.02946	1.2
123.04493	1.0
135.04556	3.9
135.08173	0.7
137.02464	13.3
137.06082	14.7
145.02980	1.2
147.08221	0.6
160.09312	0.7
161.02483	1.6
161.04581	0.7
162.57770	0.7
163.04013	10.2
164.04317	1.0
165.09232	1.6
173.04552	1.8
181.05063	12.6
182.05360	1.2
189.01923	0.8
191.05589	6.5
207.02997	5.0
216.76772	0.8
221.63081	0.6
225.04008	2.1
225.11282	6.6
226.11638	0.6
249.11336	1.9
256.99701	2.7
267.06815	0.8
287.06033	1.0
300.02725	1.0
300.17484	0.7
301.03043	1.6
302.03357	1.4
305.06940	2.8
339.04977	1.7
343.10260	1.2
347.08102	1.5
377.08762	0.7
377.31262	0.7
449.11215	15.3
450.11465	1.5
467.12048	1.9
551.21442	0.7
587.17725	1.5
612.15247	3.2
613.15118	1.1
631.16797	5.2
657.15466	0.9
675.15912	75.2
675.25305	5.7
676.16119	8.7
676.26398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01386	2.6
61.98827	0.3
63.20614	0.3
63.55906	0.3
67.01865	0.3
71.01377	2.5
71.11898	0.4
73.02975	0.4
75.53149	0.3
80.02682	1.1
81.03465	0.8
83.01383	0.3
83.05028	4.1
84.02173	0.8
85.02935	1.5
87.00887	0.7
89.02453	1.2
93.03454	1.1
95.05024	0.9
96.67271	0.3
96.96037	2.0
97.02959	0.3
97.06629	0.3
99.04510	0.6
101.02446	1.9
109.06593	0.8
111.00879	1.0
113.02458	1.1
119.03484	0.4
125.02438	0.4
125.09706	0.4
133.02972	0.4
135.04498	0.8
135.08138	0.5
161.02411	0.7
161.04555	1.2
163.11279	3.5
164.11597	0.6
165.12881	2.5
169.12219	0.4
171.10309	1.4
173.04530	1.0
179.03543	0.3
179.05608	0.3
181.12415	0.4
185.11838	1.0
191.05620	4.9
191.10773	0.9
192.06068	0.6
197.11893	0.6
199.13414	2.5
201.11313	0.6
207.10268	1.5
208.10637	0.5
209.11830	100.0
210.12170	6.9
211.13367	1.0
225.11290	1.2
226.11765	0.4
227.12885	18.2
228.13225	1.1
235.08192	1.5
247.13380	0.7
253.09299	5.9
254.09669	0.6
295.39877	0.3
326.28494	0.3
352.94955	0.3
401.23050	0.8
419.24646	0.4
445.20749	1.2
463.21945	0.9
580.21942	0.3
637.31708	1.3
655.33301	1.6
656.33624	0.4
673.21692	0.4
673.31976	2.2
674.33075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26559	0.9
68.99819	4.1
70.82796	1.9
70.83172	2.2
83.01347	1.1
93.03467	12.7
94.03790	2.3
94.35551	0.9
101.02448	4.8
102.52909	0.9
106.16832	1.0
107.01373	1.2
107.05046	1.5
109.02903	1.5
121.02947	2.2
135.04524	1.5
136.99121	1.1
137.02473	11.0
138.02727	1.2
151.00388	9.0
163.00290	1.7
178.99844	4.2
195.06691	1.7
222.84471	0.9
227.03445	2.6
239.05640	3.7
240.05902	1.2
243.03050	5.4
254.02252	1.6
255.03008	16.7
271.02487	35.2
271.05423	2.1
272.02899	3.0
299.02231	1.2
300.02768	72.9
301.03452	30.5
305.44275	1.2
345.64487	0.9
437.79224	1.0
548.05310	1.1
609.14618	100.0
610.14880	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	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
57.03446	0.2
58.00594	0.1
59.01379	1.7
71.01376	1.5
71.05039	0.2
72.99287	0.1
73.02937	0.3
80.02676	1.1
81.03458	1.0
81.25851	0.1
83.01378	0.3
83.05024	4.6
84.02165	0.7
85.02930	0.5
87.00864	0.3
89.02439	1.2
93.03468	0.2
95.01397	0.2
95.05028	0.8
97.06596	0.2
99.00853	0.1
101.02441	1.5
105.46426	0.1
109.06578	0.3
111.08156	0.2
111.91311	0.1
113.02483	0.8
119.03522	0.2
123.08128	0.1
125.02461	0.1
125.06084	0.4
125.09689	0.3
135.08194	0.6
141.76094	0.1
143.03506	0.2
145.05048	0.2
147.11815	0.3
161.02454	0.2
161.04617	0.6
163.11296	3.4
164.11597	0.1
165.12846	2.3
165.14137	0.2
171.10249	1.7
179.05562	0.2
181.12312	0.6
191.05589	0.2
191.10793	1.1
192.42131	0.1
195.01453	0.1
209.11819	100.0
210.12157	6.2
210.14238	0.2
221.11728	0.2
227.12880	13.5
228.13200	0.7
235.08220	1.5
237.84818	0.1
247.13370	0.9
251.12865	0.1
253.09277	5.9
254.09737	0.2
265.14505	0.2
289.29999	0.1
372.73611	0.1
401.23505	0.2
419.24451	0.2
445.20853	1.0
446.21344	0.2
483.22247	0.1
498.40482	0.1
599.75610	0.1
611.30786	0.2
637.31689	0.6
638.32758	0.2
655.33405	0.3
673.33844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4015
Annotation	Guineamide D
Peak:m/z	Relative Intensity
55.01891	0.7
57.03450	0.9
58.72948	0.6
59.01378	8.0
61.98840	2.2
70.92424	0.7
70.92767	1.4
71.01383	5.6
71.05029	1.0
72.99325	0.7
73.02937	0.9
80.02697	0.9
81.03458	1.6
83.01394	1.1
83.05032	4.0
85.02931	3.5
85.87701	0.7
87.00883	1.8
89.02467	2.8
93.03476	2.1
95.05042	1.4
95.13371	0.6
96.96008	7.7
96.96520	0.7
97.02972	2.3
97.06595	0.9
98.33017	0.8
99.04528	1.4
101.02451	4.2
103.00368	0.7
105.41380	0.6
107.05077	0.7
108.77544	0.7
109.06595	10.7
110.03777	0.9
111.00895	1.5
111.04533	1.4
113.02477	2.3
113.19048	0.7
119.03532	0.8
121.06613	0.7
123.04491	0.9
125.02483	0.8
125.06146	0.9
125.09767	1.5
127.11311	0.7
133.06628	0.8
135.04517	1.4
135.08147	3.7
137.06093	0.8
142.02792	1.4
149.06107	5.2
150.06863	37.8
151.07652	1.1
155.10713	0.7
161.02466	0.7
161.04630	2.2
161.09749	1.9
161.39151	0.6
163.07635	9.9
163.08781	0.7
163.11284	9.9
164.08411	4.9
165.12843	1.1
171.10320	1.7
173.04619	1.0
176.08475	1.0
177.09206	1.2
178.10036	3.6
179.05605	0.8
179.10759	11.8
179.12202	0.8
181.12437	2.0
185.11829	1.2
189.09250	1.1
191.05618	7.2
197.11960	0.6
201.11324	0.8
207.10257	25.5
208.10620	1.5
209.11827	52.1
210.12256	3.5
225.11311	30.2
226.11758	1.5
227.03874	0.8
227.12863	9.3
228.13249	0.8
235.08299	2.9
239.07187	0.6
247.13322	1.0
253.09332	5.8
263.12976	0.9
300.02762	0.9
301.03470	0.7
329.23376	4.5
373.24020	0.7
399.21866	2.6
417.23026	2.4
443.19299	3.5
445.33389	1.3
448.31866	7.0
448.36670	0.7
449.32254	0.9
461.20251	8.1
462.20975	1.0
462.33585	0.9
463.34280	12.8
464.34491	1.7
490.33264	1.9
491.33856	2.1
499.16815	0.8
508.34274	2.3
509.34808	29.6
510.35315	3.7
585.29565	3.4
627.31238	1.9
635.30658	5.1
636.31775	1.0
653.31769	7.6
654.32587	1.1
671.40552	100.0
672.31097	1.6
672.40881	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	671.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68978	0.5
59.01392	2.3
61.98835	12.1
69.84581	0.4
71.01383	1.3
71.55299	0.8
75.18465	0.4
78.95908	0.8
81.03450	0.5
83.05030	0.8
91.71275	0.5
93.22608	0.5
97.02971	0.8
109.06616	2.8
117.03477	1.2
121.03001	0.6
132.02170	1.1
133.02979	12.0
134.03769	7.7
135.04552	6.2
137.02457	1.9
147.53662	0.5
150.03148	0.6
152.99632	0.9
154.94502	0.5
160.01686	6.0
161.02466	21.2
163.11328	1.2
171.10297	0.8
179.03505	2.2
183.00635	6.3
189.01704	4.1
200.00958	1.4
201.01715	8.6
207.10268	5.9
209.11868	11.1
214.99666	2.4
222.75032	0.5
225.11272	4.2
227.12924	1.0
253.09360	1.0
297.43793	0.4
399.21967	0.6
450.24063	0.6
461.19955	0.5
635.30731	0.8
653.33221	2.4
671.35638	100.0
672.35883	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	671.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01381	7.6
70.82455	0.8
71.01373	6.5
71.05003	0.7
72.99313	0.8
73.02943	1.4
80.02672	1.3
81.03468	2.5
81.24532	0.5
83.01388	0.7
83.05031	5.6
84.02174	1.2
84.05389	0.7
85.02960	1.7
87.00879	1.7
89.02426	3.3
93.03468	1.3
95.01383	0.9
95.05011	1.4
96.96022	3.0
97.02973	4.3
97.06588	1.3
99.00879	4.4
101.02460	4.8
109.02864	0.7
109.06599	11.5
110.03735	1.2
111.00874	0.9
113.02466	2.4
117.48767	0.6
119.03510	1.3
121.06585	1.3
121.49100	0.5
123.08149	0.6
123.85244	0.6
125.06074	1.1
125.09726	3.2
135.04536	0.9
135.08188	2.3
136.05304	0.8
142.02745	1.3
145.05023	0.9
146.43677	0.6
161.04547	1.9
161.09673	1.0
163.11290	13.0
164.11597	0.7
165.12845	2.7
171.10265	2.7
173.04544	0.8
179.10754	0.7
181.12343	6.6
185.11807	1.5
187.09770	0.9
187.25603	0.6
187.87675	0.5
189.09265	1.2
191.05606	1.7
191.10721	1.2
199.13396	0.7
201.11346	0.8
207.10263	49.5
208.10602	3.1
209.11826	100.0
210.12128	3.3
211.13390	0.6
211.65317	0.5
214.74100	0.5
221.11725	0.8
225.11316	50.0
226.11644	2.5
227.12894	15.3
231.10289	0.9
235.08221	3.6
239.29541	0.6
243.12341	2.9
249.11243	0.9
249.79138	0.6
253.09264	7.6
263.12866	0.9
299.14984	1.0
300.24402	0.6
315.13513	0.8
317.15784	0.6
373.23874	1.6
381.20773	0.8
389.23233	0.6
399.21805	3.7
417.22791	3.9
435.23825	1.5
443.19290	2.5
445.20990	0.7
461.20261	14.0
462.20914	1.2
469.23523	1.0
500.99133	0.6
609.31787	0.8
625.32312	0.8
627.30389	0.9
635.30524	7.5
636.31213	0.6
653.31799	17.4
653.42859	1.0
654.31879	2.0
671.32800	24.3
672.33203	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	671.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03442	0.6
59.01377	12.1
64.87442	0.5
65.08807	0.5
66.76706	0.5
71.01377	5.4
73.02927	1.1
80.02671	2.3
81.03463	4.7
83.01381	1.6
83.05026	8.4
84.02174	1.9
85.02939	2.3
87.00871	1.5
89.02435	4.0
93.03445	1.7
95.01398	0.7
95.05035	1.9
96.93464	0.5
97.02953	5.3
97.06612	1.1
99.00867	0.9
101.02444	5.2
104.26044	0.5
107.04990	0.9
109.06592	27.4
110.03701	1.5
110.06927	0.8
111.00889	0.5
111.04541	0.8
111.96028	0.5
113.02442	2.7
121.06593	2.2
123.04498	0.8
123.08186	0.7
125.06106	0.6
125.09729	2.9
135.08182	4.9
136.05305	1.3
142.02699	1.5
143.03479	0.5
145.05070	1.2
147.27045	0.7
161.04517	2.0
161.09708	2.3
163.11281	19.0
164.11630	0.8
165.12868	4.3
171.10225	2.8
179.10747	0.8
181.12375	5.1
185.11816	2.3
187.09779	0.8
189.09192	2.1
191.10770	1.5
201.11365	0.7
207.10254	67.6
208.10626	3.5
209.11818	100.0
210.12181	5.7
213.09335	0.7
217.12279	1.2
221.11787	1.4
223.13361	1.4
225.11317	32.8
226.11755	1.5
227.12895	14.5
228.13277	0.7
231.10188	0.9
235.08226	2.3
235.13347	0.8
245.11761	0.6
247.13376	1.3
249.11394	1.2
253.09251	10.4
263.12900	1.3
265.14493	0.9
299.15259	1.1
340.78464	0.6
355.22742	0.9
373.19852	0.8
373.24011	0.8
399.21759	5.4
400.21735	1.1
417.22769	5.0
418.22906	0.8
435.23523	1.1
443.19257	3.1
461.20212	11.5
462.20575	1.4
499.21844	0.8
609.29053	0.9
627.30103	0.7
635.30743	12.2
636.30963	2.9
653.31702	16.0
654.32086	2.9
671.32867	28.3
672.33289	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	671.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
67.01896	4.0
68.99823	4.2
69.81966	2.6
71.01399	2.3
72.99332	0.4
74.99102	1.5
85.02966	1.2
86.40295	0.4
87.00906	0.6
88.98785	0.6
89.02446	1.0
93.03448	2.2
96.96030	1.5
98.20538	0.7
99.04565	0.9
101.02439	13.9
105.88403	0.5
107.05002	0.5
109.02949	3.0
113.02547	0.7
117.03468	11.9
119.05028	14.5
120.99660	100.0
121.02976	2.6
121.99982	0.9
123.04551	0.6
127.04015	19.0
133.02974	0.9
133.05075	1.8
133.06625	0.6
135.04506	0.9
136.99152	1.1
137.02365	0.6
139.04001	1.0
145.02959	44.1
146.03250	1.1
151.00389	0.7
151.04065	0.6
161.02470	2.9
161.06071	0.7
163.04015	25.8
164.04350	0.7
177.05565	1.3
187.03975	0.6
191.03522	3.6
191.05626	5.1
193.05080	2.2
195.06490	0.5
205.05087	1.5
209.11786	1.0
223.06146	1.9
233.01759	0.5
233.50880	0.4
241.07195	7.8
243.03044	1.2
255.02997	2.9
271.02496	6.3
300.02740	12.1
301.03683	2.7
549.16150	70.5
550.16394	7.7
589.26007	0.6
589.75702	1.7
609.14618	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	671.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30353	0.3
56.37558	0.2
59.01385	0.9
59.19026	0.2
67.01888	1.0
68.99828	2.2
69.03442	0.2
71.01382	0.9
74.99102	0.5
85.02940	0.6
87.00886	0.6
89.02464	0.6
93.03487	0.8
96.96033	0.8
99.04514	0.5
101.02448	4.7
103.64420	0.3
105.03500	0.3
109.02939	1.4
110.71684	0.2
117.03477	4.3
119.05035	4.2
120.05370	0.2
120.99661	100.0
121.02954	1.3
121.99995	0.8
123.04536	0.5
127.04025	5.9
133.02969	0.5
133.06616	0.9
134.03725	0.5
135.04541	0.9
137.02451	0.3
139.04010	0.3
145.02957	15.1
146.03331	0.4
148.18993	0.3
149.02469	0.4
149.06104	0.5
151.03999	0.4
161.02472	2.1
161.06079	1.6
163.04012	4.9
163.05380	0.3
164.04468	0.3
165.05591	0.4
169.12274	0.3
173.04517	0.5
176.79341	0.3
177.05536	1.3
179.03506	0.5
187.03914	0.2
191.03560	1.3
191.05634	4.8
193.05011	1.2
199.09747	0.4
205.05034	3.0
223.06044	0.4
235.06120	1.0
241.07304	1.9
265.07175	2.1
285.04523	1.0
307.08383	0.4
325.09351	0.7
371.72092	0.3
517.13489	0.6
549.16150	27.3
550.16418	3.3
607.52997	0.3
639.25269	0.3
671.16644	0.8
671.26154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49743	0.3
55.86166	0.3
58.46792	0.3
59.01367	1.2
68.99805	1.4
70.87598	0.6
70.87943	0.4
71.01379	1.3
75.65227	0.3
81.03434	0.5
85.02949	0.5
87.00829	0.5
89.02451	0.7
93.03466	1.1
96.96014	2.5
99.04504	0.7
101.02439	5.0
105.57302	0.3
109.02942	0.4
111.04513	0.4
113.02457	0.5
117.03477	4.8
119.05006	3.7
120.99654	100.0
121.02972	1.1
122.00014	1.6
125.02382	0.4
125.58813	0.3
126.45043	0.3
127.03966	0.6
133.06616	0.5
135.04483	0.9
139.04022	2.3
144.12962	0.3
145.02954	17.9
146.03316	0.7
147.04510	0.6
153.01837	0.4
155.03522	0.3
155.53642	0.3
161.02435	1.1
161.04683	0.4
161.06090	1.1
163.04005	4.9
165.05591	1.0
169.12334	0.8
173.04567	0.4
177.05536	0.8
185.64017	0.3
191.03513	1.4
191.05597	3.0
192.05989	0.3
193.05031	1.0
195.06578	0.6
197.11829	1.1
205.05040	2.2
209.11769	0.4
223.05989	0.5
235.06059	0.4
241.07190	4.1
265.07175	0.9
290.75537	0.3
307.08215	0.6
347.17191	1.1
397.13120	0.3
399.41858	0.3
549.16107	26.3
550.16302	3.7
639.25104	0.9
671.27271	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.4
59.01385	22.3
61.98815	1.0
63.67772	0.7
67.01810	0.8
69.03458	1.8
70.44291	1.9
70.44688	1.8
71.01012	0.9
71.01386	15.6
72.99301	1.1
73.02926	3.5
80.02656	2.5
81.03468	7.5
83.01369	2.5
83.05032	7.3
84.02148	1.2
85.02965	5.2
85.15763	0.8
87.00877	4.8
87.42979	0.9
89.02447	7.0
93.03438	3.1
95.01357	2.7
95.05032	4.1
96.96015	1.4
97.02956	11.9
97.06589	4.2
99.00858	3.4
101.02444	12.3
106.04245	0.9
107.04990	3.4
108.02126	2.8
109.02932	1.1
109.06598	45.8
110.03714	1.9
110.06883	1.2
111.04514	1.7
113.02444	6.5
117.03473	1.5
119.03493	1.8
119.04996	2.2
121.02930	1.6
121.06615	5.0
123.04524	1.7
123.08120	3.5
125.02383	1.6
125.06020	1.2
125.09730	22.4
133.06569	1.1
135.04538	1.5
135.08156	8.1
136.05246	1.8
136.08548	0.9
137.09721	1.1
141.65503	0.8
142.02727	3.9
145.02911	3.5
145.05014	2.7
146.03299	1.2
147.08067	0.8
147.11771	0.9
149.06015	1.2
161.04524	3.2
161.05878	0.8
161.09706	5.3
163.03987	2.6
163.11288	24.0
164.11604	1.1
165.09196	1.6
165.12698	1.5
169.08769	1.0
171.10249	3.3
173.06096	0.9
175.07631	0.9
175.11349	4.1
177.09161	1.5
179.10707	3.1
181.12358	6.7
185.11821	4.0
187.09758	8.1
189.09155	1.7
191.05534	2.3
191.10719	4.8
191.14389	1.0
197.11703	0.9
199.11343	1.0
203.10728	1.9
205.08632	1.9
207.10269	100.0
208.10609	5.0
209.11826	28.4
210.12010	1.3
217.12231	1.3
219.10219	3.7
219.13907	2.0
221.11755	1.0
223.09775	4.7
223.13373	2.3
225.11322	50.2
226.11581	2.6
227.10715	1.0
227.12775	1.3
229.12234	1.4
235.08295	5.3
235.13277	2.9
237.11203	4.8
245.11707	2.1
247.09721	1.0
253.09300	7.8
261.11258	1.6
263.12869	7.9
265.10770	0.9
275.12863	1.2
281.13910	1.1
289.14355	1.1
299.14978	2.0
301.21509	1.5
317.21161	1.0
325.18069	1.2
325.21661	1.8
327.19370	3.1
327.22867	1.1
343.19028	2.8
343.66769	0.8
345.20566	1.9
351.19388	0.9
353.17432	2.9
353.21240	1.9
361.19965	2.5
361.24152	0.9
363.21716	0.9
369.20721	4.0
371.18338	6.4
371.22318	3.1
371.39963	0.8
372.18127	0.9
379.20923	1.4
387.21970	5.3
389.19504	6.0
397.20096	8.2
398.20538	1.0
405.17548	2.2
405.22681	2.0
415.21268	24.1
416.21472	2.4
423.18555	1.2
433.22314	6.1
443.19016	3.8
461.20319	14.6
462.20380	1.9
507.26392	1.2
597.29065	5.0
607.27582	20.4
608.27606	2.4
623.30487	3.3
625.28650	42.8
626.28772	5.8
633.29071	15.9
634.28772	1.7
651.30219	97.9
652.30450	14.4
668.38953	1.3
669.30988	52.8
670.31598	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	667.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.6
66.57245	0.4
66.86895	0.4
69.54807	2.3
70.29769	0.4
73.02960	0.6
81.89710	0.3
93.03442	0.7
117.03444	0.9
121.02929	0.5
123.50321	0.4
132.02138	0.8
133.02957	16.1
134.03763	6.1
135.04524	7.6
137.02449	4.0
139.03958	1.0
145.02917	0.5
148.05324	0.7
150.03246	0.5
161.02441	38.5
162.02750	1.7
178.02687	1.1
179.03508	2.8
191.05624	0.4
260.74527	0.4
587.37573	1.6
613.35406	0.6
623.39746	0.6
631.36292	5.6
632.36841	0.5
649.37433	16.7
650.37714	3.3
667.38464	100.0
668.38885	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	667.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
59.01377	9.4
70.75044	3.3
71.01389	11.4
73.02946	4.2
77.65123	1.9
83.01357	2.0
85.02935	4.8
88.98800	2.1
89.02422	4.6
93.03446	2.2
96.96005	4.9
101.02480	9.4
113.02420	5.4
119.03493	2.7
133.02873	1.8
140.40828	1.9
145.02980	2.8
161.04512	4.9
163.04146	2.6
167.52403	1.7
173.04611	2.3
191.05574	11.3
196.68283	1.9
209.11838	3.8
248.37215	1.7
269.16052	1.8
333.40463	2.1
407.99033	2.1
415.12552	2.2
421.27158	5.2
571.32733	96.1
572.33026	12.0
583.32947	3.0
601.33893	27.0
602.33911	3.3
667.32349	100.0
668.32745	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	667.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03449	1.3
58.00587	2.0
58.52417	0.5
59.01380	47.1
60.01712	0.7
61.98831	1.9
69.03469	1.3
71.01383	41.2
71.55061	0.6
72.01707	0.4
72.99315	3.2
73.02944	11.9
75.00854	0.7
78.95918	0.5
81.03470	0.5
81.10455	0.5
83.01408	2.0
85.02954	9.0
87.00881	3.4
89.02447	50.6
90.02765	0.7
93.03469	3.4
95.01377	1.0
96.96015	11.4
97.02978	1.3
99.00887	22.4
99.04505	0.9
101.02446	25.5
107.01387	0.7
109.02969	0.6
111.00910	1.3
111.04536	1.1
113.02449	8.2
113.06055	0.6
115.04047	0.8
119.03516	3.6
119.04998	0.7
121.02953	1.2
125.02416	2.4
127.04012	0.9
131.03519	9.2
131.07129	3.0
133.03008	0.6
135.04538	2.5
137.02469	1.7
143.03502	1.1
145.03156	0.6
147.04492	0.5
149.04559	16.5
151.00363	2.3
151.04207	0.5
155.03520	1.2
160.04092	1.0
161.02469	1.8
161.04494	2.7
163.04137	0.7
165.05611	0.6
173.04585	5.4
173.08218	1.7
175.02454	0.7
178.99869	0.7
179.03535	1.8
179.05606	0.5
191.05621	21.9
192.06024	1.3
251.07625	0.8
255.03052	1.9
271.02463	2.9
293.08847	0.5
300.02679	6.0
301.03503	6.5
302.03757	0.5
303.18185	0.8
359.11688	0.6
373.13327	0.6
404.15219	0.6
419.17090	2.1
463.08926	1.4
486.69217	0.5
493.22925	9.1
494.23108	0.8
505.09564	5.5
506.09891	0.8
535.27563	4.4
536.28326	0.6
624.31750	0.5
649.62207	0.5
667.31836	100.0
668.32220	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	667.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03449	1.3
58.00587	2.0
58.52417	0.5
59.01380	47.1
60.01712	0.7
61.98831	1.9
69.03469	1.3
71.01383	41.2
71.55061	0.6
72.01707	0.4
72.99315	3.2
73.02944	11.9
75.00854	0.7
78.95918	0.5
81.03470	0.5
81.10455	0.5
83.01408	2.0
85.02954	9.0
87.00881	3.4
89.02447	50.6
90.02765	0.7
93.03469	3.4
95.01377	1.0
96.96015	11.4
97.02978	1.3
99.00887	22.4
99.04505	0.9
101.02446	25.5
107.01387	0.7
109.02969	0.6
111.00910	1.3
111.04536	1.1
113.02449	8.2
113.06055	0.6
115.04047	0.8
119.03516	3.6
119.04998	0.7
121.02953	1.2
125.02416	2.4
127.04012	0.9
131.03519	9.2
131.07129	3.0
133.03008	0.6
135.04538	2.5
137.02469	1.7
143.03502	1.1
145.03156	0.6
147.04492	0.5
149.04559	16.5
151.00363	2.3
151.04207	0.5
155.03520	1.2
160.04092	1.0
161.02469	1.8
161.04494	2.7
163.04137	0.7
165.05611	0.6
173.04585	5.4
173.08218	1.7
175.02454	0.7
178.99869	0.7
179.03535	1.8
179.05606	0.5
191.05621	21.9
192.06024	1.3
251.07625	0.8
255.03052	1.9
271.02463	2.9
293.08847	0.5
300.02679	6.0
301.03503	6.5
302.03757	0.5
303.18185	0.8
359.11688	0.6
373.13327	0.6
404.15219	0.6
419.17090	2.1
463.08926	1.4
486.69217	0.5
493.22925	9.1
494.23108	0.8
505.09564	5.5
506.09891	0.8
535.27563	4.4
536.28326	0.6
624.31750	0.5
649.62207	0.5
667.31836	100.0
668.32220	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	665.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73047	0.4
53.34544	0.4
56.06892	0.4
59.01352	0.7
61.98815	0.6
71.55323	0.7
73.87590	0.5
96.95993	0.8
105.03440	0.8
109.02943	0.5
110.00056	0.5
117.03435	1.3
121.02913	1.5
121.46335	0.5
123.04510	0.8
132.02098	1.0
133.02957	21.7
134.03778	5.6
135.04523	9.4
137.02452	4.3
139.04080	1.1
145.02950	1.2
147.73038	0.5
148.05077	0.6
161.02438	50.1
162.02757	1.6
163.03960	0.9
178.02606	0.6
179.03514	4.2
189.27855	0.5
191.05629	1.6
202.54465	0.5
209.11810	1.6
297.79337	0.5
324.95801	0.5
329.23254	0.5
368.24939	0.5
485.32626	0.6
503.33701	0.9
589.31396	0.6
605.34906	1.6
621.37994	0.6
629.34589	1.3
647.35828	17.7
648.36383	4.0
665.36914	100.0
666.37268	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	663.3899
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
53.40734	0.5
56.21283	0.6
61.98809	1.7
66.91104	0.5
71.01386	0.6
71.55387	0.6
77.89115	0.5
78.95887	0.8
85.31272	0.5
93.03470	0.7
105.03453	2.1
110.66724	0.5
121.02921	1.5
131.93735	0.5
132.02145	1.9
133.02956	25.9
134.03755	8.0
135.04530	7.8
136.04791	0.7
137.02431	5.0
139.03966	1.3
145.02884	0.6
148.05278	1.2
160.01628	4.4
161.02435	42.3
162.02821	1.2
171.10278	0.6
175.03967	2.4
175.70781	0.5
177.01823	0.9
178.02667	1.9
179.03470	3.8
187.27167	0.6
209.11736	1.1
230.85580	0.5
283.65808	0.6
293.21265	1.2
442.93646	0.6
483.30865	1.0
505.93887	0.6
587.37238	0.9
589.35516	3.9
590.35803	1.0
603.36255	0.9
613.35260	2.1
631.36365	22.8
632.36816	3.1
645.38251	1.0
663.39001	100.0
664.39410	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	663.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70576	0.4
50.94691	0.4
57.28350	0.4
57.36775	0.5
59.01368	1.2
60.81826	0.4
61.98830	0.7
66.16119	0.5
71.01372	1.5
71.55601	0.5
89.02439	0.9
96.96004	0.8
105.03447	0.7
108.98660	0.5
117.03439	0.7
118.06602	0.5
121.02950	1.1
132.02155	1.1
133.02966	20.3
134.03764	7.4
135.04539	12.6
137.02458	4.6
139.03987	1.5
148.05266	1.2
150.03201	1.1
161.02449	50.3
162.02844	1.9
163.03947	0.7
163.06125	0.6
171.10268	0.6
174.88046	0.5
177.01851	0.5
178.02733	2.5
179.03497	5.9
194.02338	0.5
283.48376	0.5
483.31183	5.2
484.31720	0.8
573.32275	1.2
589.31659	1.5
603.32684	1.2
627.32709	0.7
645.34412	9.6
646.34766	2.1
663.35394	100.0
664.35724	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73626	1.0
55.01860	1.5
55.13166	1.0
57.03429	4.4
59.01102	1.8
59.01379	22.4
61.98821	1.3
68.99812	2.2
69.03443	2.5
70.56415	3.3
71.01005	1.9
71.01382	30.5
72.99303	6.0
73.02944	2.5
75.00874	16.8
80.02682	5.8
80.77382	1.0
83.01366	2.3
85.02956	29.3
87.00875	11.8
89.02442	7.6
93.03452	2.5
95.01412	7.2
96.96007	11.8
99.00880	11.7
99.04522	6.2
101.02446	3.2
103.00370	3.3
109.02959	1.3
111.00857	1.7
113.02451	38.5
114.02766	1.1
115.00396	1.3
117.01938	2.2
121.06586	1.8
129.01918	2.6
131.03511	1.4
137.02364	1.6
161.04544	1.8
173.04550	2.0
175.02461	2.6
178.02464	1.1
189.12859	25.9
191.05606	9.8
193.05170	1.2
205.07140	4.0
207.13873	10.7
231.04811	1.3
231.13927	2.6
233.11842	6.3
249.06126	19.6
251.12851	7.5
267.07220	42.5
268.07516	2.4
308.19815	1.0
325.16608	1.4
439.19623	9.1
483.18661	4.8
483.39465	1.3
484.79535	1.3
501.19812	59.6
502.20135	4.8
543.20978	6.1
573.21698	8.4
603.22913	43.6
604.23260	5.5
663.25012	100.0
664.25421	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	663.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.6
57.57488	1.4
59.01378	25.2
61.98821	4.3
69.03459	2.6
69.46748	9.8
69.47128	1.9
71.01376	29.3
72.99304	7.4
73.02946	2.9
75.00871	18.6
80.02670	6.0
83.01395	3.3
85.02951	32.0
87.00882	10.8
89.02445	11.3
93.03452	5.8
95.01395	5.9
96.95998	13.1
99.00881	16.3
99.04533	7.6
101.02426	2.4
103.00338	2.6
109.02953	1.9
111.00851	1.7
111.04450	2.3
113.02451	34.3
115.00343	2.6
117.01962	2.8
121.06611	2.0
125.02454	1.7
129.01938	2.2
134.03725	1.5
139.00340	1.3
139.04037	1.7
152.62663	1.4
153.01878	1.5
157.01431	1.5
160.01585	3.4
161.02400	1.4
161.04532	2.4
170.43542	1.3
173.04562	4.2
175.02464	2.9
175.03978	4.2
179.03471	1.4
189.12868	22.6
190.13165	1.9
191.05583	13.3
193.05032	2.7
201.11311	1.6
205.07095	2.3
207.13861	10.5
223.08534	1.5
231.13820	3.4
233.11749	5.0
249.06221	17.0
251.12926	8.5
267.07205	41.1
268.07465	1.7
273.12598	2.1
289.29166	1.4
383.32117	1.4
439.19739	10.7
467.15338	1.7
483.18600	4.8
501.19794	59.6
502.19949	4.5
543.20746	6.2
573.22046	6.5
603.22943	38.1
604.23267	5.5
627.30463	5.5
663.25055	100.0
664.25568	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	661.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68198	1.3
57.03449	2.2
59.01388	10.2
61.98808	2.1
65.99858	1.4
67.01891	2.8
68.19618	1.2
69.03454	2.6
69.46677	11.0
69.46997	3.1
71.01385	13.0
71.02507	4.1
72.00909	5.4
73.02923	2.2
74.42693	1.2
75.00873	3.0
79.95734	4.3
81.03458	1.8
82.01735	2.3
83.02517	2.7
84.41730	1.4
85.02945	8.7
87.00877	8.2
89.02434	4.0
93.03458	38.2
96.96011	100.0
97.02934	1.5
98.01219	3.4
98.20650	2.1
98.95607	2.8
99.00869	3.4
99.04507	1.8
101.02428	4.9
107.04990	2.6
109.02930	4.1
111.00854	4.1
111.01997	5.4
111.04510	5.4
113.02448	8.5
116.05064	8.4
117.03429	2.8
117.05575	4.2
118.06634	6.6
119.05038	18.6
121.02947	6.2
123.04527	4.0
127.03999	1.7
128.05093	1.6
133.02861	2.0
133.05301	2.2
134.03711	5.2
134.06122	13.4
135.04553	12.6
137.01433	1.9
137.02426	14.9
146.06088	12.2
147.04478	7.4
149.06107	3.1
150.03217	1.5
151.04027	3.3
155.03555	2.2
157.05289	5.1
158.06104	4.3
160.01653	2.0
160.04002	2.0
161.02380	4.6
161.04565	2.5
161.07175	4.7
162.05620	10.3
163.03996	10.6
170.06050	1.8
171.05630	5.2
173.04588	16.2
173.07156	3.2
179.03511	6.1
180.06665	27.0
185.07161	3.1
186.05577	8.3
187.05193	1.7
187.07593	3.3
189.06689	7.6
191.05609	44.5
191.08249	3.4
192.05965	3.7
195.08122	1.5
199.07452	1.5
200.05908	17.7
201.06644	4.8
203.08266	2.7
206.04524	3.7
209.07196	2.8
215.07114	2.9
221.09550	3.8
231.10266	3.5
246.11543	1.9
247.12238	1.8
248.10753	4.5
249.06036	1.7
257.08109	2.9
259.12405	1.9
264.10275	3.1
266.11880	5.7
267.07172	6.0
273.10284	9.2
275.11911	2.6
285.10275	9.3
286.11066	7.5
287.11917	2.1
291.11395	19.8
292.09537	8.8
294.11276	3.2
309.12491	21.4
310.10751	2.7
327.13409	12.8
328.13846	1.6
349.11911	1.6
352.07703	1.5
377.16614	16.8
410.18329	1.5
411.17111	1.6
421.15576	36.6
421.21390	2.1
422.15640	4.9
449.14200	2.2
455.16116	5.1
481.17078	15.7
482.17554	3.3
484.88708	1.5
539.84686	1.8
558.23926	4.5
584.21997	7.7
585.21814	1.7
602.22949	77.6
603.23395	15.3
625.28796	4.1
652.21472	3.3
652.72180	3.1
661.21057	8.5
661.35693	2.2
661.72852	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.3
69.03486	2.0
71.01390	5.5
71.56373	1.5
73.02963	1.8
79.95734	4.1
80.96555	1.3
83.01372	1.7
83.05040	3.7
85.02959	3.9
87.00862	2.6
89.02464	3.8
93.03458	8.1
96.96016	100.0
97.02966	1.6
101.02457	4.2
107.04993	1.9
108.02208	3.3
109.02972	1.5
113.02444	3.7
114.54469	1.4
115.04021	5.0
119.05022	2.8
121.06585	1.9
123.04523	14.3
125.02464	2.0
135.04510	2.7
137.02440	2.2
139.04080	1.4
143.03452	2.2
149.06100	11.5
152.01070	2.1
159.03015	1.5
163.04004	1.4
173.04524	1.8
179.05658	1.9
191.05637	9.3
193.04973	2.3
206.55782	1.4
209.11838	55.2
209.32269	1.4
211.44557	1.3
225.11337	2.5
227.12909	14.1
235.08179	2.5
253.09311	4.3
281.47653	1.3
287.05844	1.7
305.06989	3.8
347.08069	2.5
397.13522	38.4
398.13678	1.9
401.18668	1.3
415.14520	18.3
445.20883	4.4
449.11441	4.7
450.98300	1.4
463.21777	3.5
467.12146	2.9
527.53552	1.5
577.12854	1.5
607.26129	6.3
617.19037	3.4
625.14520	1.5
625.27179	2.0
661.16461	53.7
661.26611	16.7
662.17065	7.1
662.27771	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	661.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27930	1.8
57.03443	11.6
58.00599	1.5
58.90910	1.4
59.01101	2.8
59.01379	37.0
61.98837	1.7
62.52660	1.5
66.48235	1.5
67.01887	1.9
68.99764	1.7
69.03453	3.0
71.01378	46.2
71.55933	2.0
72.00587	1.5
72.99313	6.8
73.02942	3.3
75.00871	27.2
75.13273	1.7
79.95737	4.7
85.02448	3.2
85.02948	49.9
87.00864	15.7
89.02457	13.1
93.02937	1.8
93.03452	11.4
95.01411	9.4
96.00450	1.7
96.96012	100.0
99.00883	25.8
99.04517	6.4
100.04836	1.8
101.02448	10.7
103.00389	4.4
107.04979	1.8
108.02113	2.4
109.02936	5.8
111.00894	4.7
111.04508	2.1
113.02450	54.2
117.01920	4.6
119.03471	3.2
121.02938	2.7
127.03989	2.1
129.01938	5.3
131.03474	2.1
132.02164	5.3
133.02960	3.0
134.03741	17.7
135.04558	9.0
137.02457	5.0
149.06044	4.2
151.04074	2.4
152.04761	3.8
153.01913	3.7
157.01431	5.0
160.01645	24.8
161.02496	8.9
161.04523	8.7
161.07213	21.6
161.13358	15.9
162.07443	1.9
166.02679	3.0
173.04590	12.2
174.04990	2.2
175.02556	3.8
175.03970	37.6
175.08801	7.7
176.04677	3.6
179.03505	5.2
187.11205	9.5
189.06696	24.0
191.05606	41.2
191.07150	4.6
192.05978	5.9
193.04915	14.5
197.04515	2.1
203.08293	7.4
205.07173	11.5
205.12302	23.5
206.12683	2.1
207.04968	3.1
213.09206	2.5
222.50433	1.7
225.11382	3.0
231.04825	2.3
235.06046	6.0
249.03790	3.0
249.06166	32.8
250.06548	1.8
252.17213	1.9
265.07129	2.4
267.07187	97.7
268.07538	3.0
291.85434	1.7
295.08328	2.4
335.07529	3.4
353.08798	2.8
397.11539	5.4
399.88644	1.8
400.10544	2.5
417.15723	2.3
437.18207	10.5
440.95416	1.9
455.19220	33.6
456.19263	3.8
463.08102	1.7
467.16791	5.2
471.14954	3.2
481.17053	13.1
485.17651	13.7
497.12915	2.5
498.13675	5.0
499.18634	49.3
500.18323	5.2
541.19482	2.8
581.23303	2.3
601.21204	6.2
638.27399	1.9
661.23071	95.9
662.23309	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	661.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26917	1.2
55.01877	1.6
57.03456	6.9
59.01114	1.8
59.01383	28.3
59.86973	1.2
61.98827	2.2
67.01875	2.3
69.03451	2.5
69.57715	2.5
69.58124	5.1
71.01009	2.6
71.01385	38.1
72.35246	1.1
72.99296	6.5
73.02956	2.6
75.00475	1.1
75.00880	17.9
79.95735	3.0
81.95316	1.9
82.95415	1.6
83.01383	2.5
85.02452	2.0
85.02954	33.9
86.48578	1.1
87.00873	12.8
89.02467	11.4
91.03982	1.4
93.03462	7.1
95.01383	7.3
96.96014	66.0
97.02937	1.3
98.95600	24.8
98.96428	3.1
99.00900	14.9
99.04514	5.0
100.04854	1.1
101.02448	6.1
103.00349	3.3
109.02965	2.0
111.00878	6.2
111.04487	1.7
113.02457	46.5
113.06026	1.5
115.00333	1.6
117.01928	2.5
117.50658	1.1
119.04983	1.6
120.99624	1.5
125.02377	1.3
127.03997	1.4
129.01967	6.1
131.03452	1.3
134.03682	1.3
135.04482	5.0
136.01624	1.3
137.02457	2.8
145.02928	2.3
155.03543	1.7
157.01411	2.4
159.66084	1.2
161.02438	3.9
161.04535	5.8
161.08113	1.3
161.13351	13.9
162.02733	1.4
173.04549	8.4
173.05779	1.6
174.04977	1.5
175.02451	3.0
175.03821	1.2
177.03973	3.2
179.03481	2.3
180.03902	1.4
187.11267	8.1
191.05620	27.9
192.05930	3.7
193.06204	1.7
205.07172	5.1
205.12337	13.9
207.04955	1.4
229.12244	1.5
231.05049	1.4
231.10406	1.5
241.00281	1.3
249.06169	20.0
256.99680	7.2
258.00089	3.3
258.99536	8.2
267.07214	68.9
268.07507	3.5
283.91910	1.4
299.28870	1.2
299.83673	1.4
336.07928	1.3
353.08585	1.7
355.09695	1.2
364.08582	1.2
437.18103	2.5
455.19281	16.8
456.18771	1.3
481.16983	11.4
497.12820	2.0
498.12949	2.1
499.18704	34.7
500.18423	5.0
541.19019	3.7
571.20203	4.0
601.21393	26.8
602.21765	2.6
661.24463	100.0
662.24335	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	661.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03453	9.4
58.00584	1.2
59.01379	38.2
67.01878	1.8
68.99809	2.3
69.03436	3.0
69.24700	7.4
71.01382	44.6
72.99307	7.1
73.02930	2.7
75.00873	37.7
81.03453	1.3
83.01376	2.7
83.05014	2.4
85.02951	45.7
86.44168	0.7
87.00874	17.1
89.02436	13.3
91.03990	1.9
93.03442	4.9
95.01395	9.3
96.96012	4.7
97.02903	1.0
99.00880	33.4
99.04520	9.1
100.04871	1.6
101.02454	6.5
103.00366	4.2
107.05011	1.3
109.02932	2.4
111.00885	4.4
112.01648	1.8
113.02452	56.7
114.02794	1.2
115.00344	3.7
117.01933	2.8
119.03506	2.0
125.02428	2.0
127.03984	1.3
129.01939	5.5
131.03481	1.0
133.02936	1.5
135.04507	6.3
136.04890	1.7
137.02451	2.5
139.00395	1.0
141.01900	1.6
149.04547	1.1
153.01907	1.7
155.03468	2.6
157.01419	7.8
159.11769	1.4
161.02470	5.9
161.04558	10.1
161.13364	40.0
162.02756	2.2
162.04868	2.6
162.13661	2.0
163.04973	2.3
165.01944	2.2
173.04572	10.5
174.04878	3.9
175.02464	3.6
179.03517	4.3
180.03970	1.7
181.04028	1.5
185.09641	0.9
187.11304	12.9
189.04021	0.9
191.05624	17.5
192.05977	5.0
193.06142	4.9
195.06602	1.6
199.02472	1.6
205.07170	12.3
205.12334	47.6
206.12656	3.1
207.05089	2.2
225.07565	1.0
231.05081	4.7
233.06616	0.9
249.06157	41.8
250.06496	1.8
267.07205	100.0
268.07602	3.4
335.07272	1.6
336.07916	2.3
337.07919	1.3
353.08768	3.1
354.09180	2.4
355.09390	3.3
393.18991	4.1
433.90527	1.0
437.12790	1.3
437.18219	18.3
438.18570	2.2
455.19202	52.2
456.19647	5.2
481.17120	22.0
482.17487	2.0
497.12927	3.0
497.20099	1.3
498.13330	5.8
499.18811	60.0
500.18900	8.0
541.19061	1.9
601.21545	1.2
617.24860	1.0
661.23566	41.3
662.23730	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	661.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47074	1.3
53.53344	1.3
55.01895	1.9
56.57994	1.2
57.03442	4.8
58.00594	2.1
59.01380	31.6
61.98836	3.1
67.01878	2.3
68.99809	3.0
69.03451	2.7
71.01387	46.3
72.99312	7.2
73.02948	4.7
75.00874	23.8
79.95771	1.7
80.46478	1.2
81.03432	1.7
83.01380	3.2
83.04991	1.9
84.02220	1.6
85.02958	44.8
87.00880	16.3
87.91149	1.3
89.02444	13.2
91.04011	1.6
93.03456	11.6
95.01398	11.0
96.96016	45.6
97.02937	1.4
99.00889	14.8
99.04527	3.8
101.02454	8.6
103.00385	6.3
108.02172	1.3
109.02948	3.3
111.00871	3.8
111.04509	2.5
113.02455	59.6
113.06116	3.8
114.02772	1.5
115.00383	3.3
117.01951	4.5
119.03520	2.6
119.05035	2.4
120.99666	1.7
121.02958	1.7
122.90378	1.3
123.04573	1.5
127.04042	2.9
129.01952	3.7
131.03546	2.7
133.03038	1.4
135.04544	9.0
137.02429	2.5
149.06090	2.1
157.01402	1.7
160.01657	2.5
161.02458	6.0
161.13361	17.1
163.04015	1.8
173.04549	7.7
175.02481	3.4
175.03909	2.5
176.12521	1.3
177.02046	1.6
179.03481	2.4
187.07660	5.5
187.11282	13.9
191.05612	33.8
192.05978	1.6
193.05022	2.4
205.07179	5.3
205.12341	18.3
207.05150	1.9
213.09206	2.6
215.07224	3.3
231.10365	1.9
249.06155	26.5
257.08243	5.5
267.07224	91.2
268.07578	4.0
363.12936	2.8
383.77466	1.4
437.18341	3.7
455.19165	10.8
481.17218	12.7
499.18283	48.3
500.18625	4.4
541.19287	4.2
571.20520	7.2
601.21332	45.1
602.21857	5.2
617.18951	3.8
643.21838	1.7
661.23474	100.0
661.73053	1.9
662.23773	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	659.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.8
59.01380	14.6
60.78163	1.7
61.98830	11.2
67.01878	2.0
68.99562	3.8
69.03455	2.3
69.40448	12.2
71.01387	18.6
72.99310	2.7
73.02949	4.0
74.10850	1.8
78.95903	2.0
78.98589	3.8
79.95740	28.4
80.96517	42.5
81.03465	3.1
83.05024	4.6
85.02941	8.9
87.00871	9.7
88.43427	1.4
89.02454	5.5
93.03466	17.1
94.98083	10.1
95.01400	2.1
95.05009	2.3
96.96017	28.5
97.02976	3.4
97.06571	3.2
99.00869	3.4
99.04550	3.4
99.61447	1.5
101.02445	8.1
104.22692	1.8
106.98100	2.7
111.00889	18.4
111.04529	3.2
112.98578	5.1
113.02442	4.0
113.62648	1.6
122.97552	2.6
125.02386	2.5
125.09727	1.8
127.03986	2.1
133.02979	1.9
134.97574	3.0
135.04491	2.6
137.02380	2.9
148.99185	4.4
151.11298	18.2
152.98590	2.4
161.02451	3.9
161.04550	8.1
161.09628	1.7
163.11292	4.5
164.98611	8.6
165.12834	3.3
169.12358	100.0
170.12711	4.3
171.10275	9.2
173.00964	1.6
173.04585	11.0
173.05942	2.9
179.03496	2.2
181.12364	4.4
185.11865	4.3
191.05630	63.6
193.86287	1.6
195.10158	1.7
197.11850	12.8
199.13377	5.1
206.99564	1.7
207.10222	6.8
209.11850	54.7
210.12128	4.2
213.11357	21.4
216.08032	1.6
225.00757	15.6
225.11296	6.1
227.12898	10.8
228.13275	1.7
235.08247	2.6
236.08594	1.8
243.12332	1.9
253.09277	7.2
299.04361	3.7
329.13419	2.5
342.92581	1.8
431.19174	4.0
436.83417	2.0
449.14346	2.7
449.20139	13.6
467.20688	2.6
471.15457	66.8
472.15726	5.2
527.18158	3.1
543.17566	2.4
641.23584	3.9
641.32184	5.3
659.33789	98.7
660.34155	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	659.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03448	2.3
59.01102	0.5
59.01379	6.0
59.01654	0.7
61.02430	0.4
61.98822	0.8
69.03463	0.8
71.01384	5.8
71.05024	0.5
73.02953	1.0
76.53146	0.4
79.95734	0.6
80.02669	1.0
80.96510	1.0
81.03463	1.1
83.01389	0.9
83.05028	5.4
84.02168	1.1
84.95318	0.4
85.02950	1.9
87.00873	1.9
89.02454	3.5
93.03473	1.2
94.98055	0.4
95.01382	0.8
95.05020	1.7
96.96016	2.3
97.02939	0.5
97.06596	5.3
99.00887	0.6
99.04510	0.7
101.02440	5.2
105.23717	0.4
109.06587	0.6
111.00865	2.6
112.98540	0.5
113.02451	2.5
119.03529	0.9
125.02392	0.4
125.06091	0.8
125.09718	1.1
126.88857	0.4
133.10214	0.5
133.91956	0.4
133.95781	0.4
135.04538	0.8
135.08113	0.7
137.02460	0.5
137.64182	0.4
149.09738	0.5
151.11284	15.1
152.11668	0.7
161.02391	0.9
161.04509	2.1
163.11299	3.8
165.12856	2.2
169.12341	62.1
169.89871	0.4
170.12750	2.4
171.10295	0.6
173.04536	1.0
179.03490	0.5
179.05646	0.5
181.12384	0.9
184.59200	0.4
191.05597	5.3
191.10788	0.8
195.10219	2.9
197.11804	1.2
199.13414	0.4
209.11830	68.2
210.12143	3.6
211.13371	0.7
212.13684	0.8
213.11331	8.3
225.11295	0.5
227.12889	6.5
235.08232	1.5
253.09299	4.5
259.64218	0.4
264.64627	0.4
276.08893	0.4
311.77466	0.4
431.19321	3.1
445.21371	0.5
449.20148	5.3
471.15445	1.1
497.13098	1.1
537.08539	0.4
543.34033	0.5
641.32220	2.8
659.32880	100.0
660.33160	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	659.259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.2
59.01378	4.5
60.67799	0.4
65.58411	0.4
69.03458	0.5
69.90571	0.4
71.01383	2.9
72.99300	0.5
75.00864	1.3
76.89775	0.4
77.94638	0.4
78.59539	0.4
79.82616	0.4
79.95738	5.1
80.96521	1.8
81.03461	0.5
83.01402	0.6
85.02955	3.8
87.00871	0.8
89.02441	1.0
91.62933	0.4
92.74390	0.4
93.03461	1.9
95.95227	1.1
96.96011	100.0
97.02950	0.7
97.09941	0.4
99.00890	1.5
99.04517	8.6
101.02449	3.5
111.00861	0.7
111.04531	0.8
115.03970	0.5
125.02441	0.7
127.04002	0.5
129.01936	2.6
133.02939	1.6
135.04546	6.1
137.02441	1.5
138.97069	1.9
150.97046	1.2
152.98642	1.6
155.03482	1.4
161.02507	4.6
161.04546	14.9
161.05890	1.0
162.04858	0.5
168.98112	1.2
173.04550	7.8
176.98549	0.8
177.04053	6.3
179.03500	3.5
180.98131	0.5
191.05606	11.7
192.05956	0.4
194.99622	1.3
199.39644	0.4
199.48206	0.4
213.00751	0.8
233.06693	1.0
241.00282	3.2
250.55325	0.4
256.99716	36.6
258.00000	0.6
259.01031	0.5
273.09814	0.6
316.09122	0.5
335.07144	3.7
336.07959	0.6
353.08691	3.6
395.09531	0.7
497.12997	19.7
497.20309	1.0
498.12894	1.9
503.45779	0.4
541.77185	0.5
659.25879	87.4
660.15955	0.9
660.26306	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	659.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17415	0.5
57.03452	14.0
59.01375	8.2
67.01880	0.9
69.03474	0.9
70.72118	1.1
70.72491	0.9
71.01386	4.3
72.99306	1.1
74.27589	0.6
75.00887	1.7
79.95735	4.6
80.96526	1.5
83.05017	0.7
85.02944	6.0
87.00880	2.3
89.02450	1.3
93.03466	7.2
93.68697	0.5
95.95240	1.6
96.96012	100.0
99.00880	1.7
99.04519	22.5
100.04866	0.5
101.02437	6.6
109.02966	0.8
110.52532	0.5
111.00890	0.9
111.04527	4.1
115.03971	0.8
121.02907	0.5
125.02459	0.9
127.03999	0.6
129.01958	3.2
133.02972	3.0
134.03706	0.9
135.04527	13.7
136.04796	0.9
137.02440	3.8
138.97046	1.3
150.97063	0.9
152.98604	1.2
155.03500	6.7
155.45293	0.5
159.04512	0.7
161.02483	17.3
161.04544	37.9
162.02905	0.8
162.04892	0.9
168.98120	1.2
173.04549	30.6
174.04927	0.8
176.98599	0.8
177.04039	7.9
179.03496	13.5
180.03821	1.0
180.98108	0.9
191.05612	50.6
192.05954	2.5
194.99664	1.5
197.04581	0.8
233.06685	5.0
241.00238	2.4
255.08900	0.7
256.99722	39.5
257.99893	1.3
259.01230	0.7
273.09790	2.2
289.98758	0.5
335.07809	14.9
336.07965	1.1
353.08789	12.2
354.09097	1.0
395.09818	3.2
435.12842	2.9
479.19647	1.5
497.12988	63.7
498.13449	8.6
658.63397	0.6
659.25885	89.1
660.15802	1.1
660.26190	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	659.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44960	0.2
57.03450	1.5
57.74548	0.1
59.01389	1.3
61.41532	0.2
67.01893	3.2
67.55680	0.2
71.01405	0.3
71.54272	0.2
83.01392	0.3
85.02956	0.6
87.00874	4.8
87.01378	0.3
93.03455	0.2
96.96019	0.6
111.00882	100.0
112.01225	2.1
130.99788	0.2
133.66849	0.2
135.04472	0.3
137.02477	0.2
143.52493	0.1
154.99857	0.2
161.02448	0.3
161.04584	0.5
173.00902	13.6
173.04251	0.3
174.01266	0.2
179.03546	0.2
191.05624	1.6
197.11830	0.4
199.13553	0.2
209.11795	0.4
241.69392	0.2
271.06018	0.3
281.36676	0.2
312.40250	0.2
315.13116	0.2
467.20697	0.2
497.12857	0.4
615.26996	0.2
659.24359	0.9
669.00616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36897	0.2
56.66647	0.3
57.03448	1.7
59.01374	0.9
59.47177	0.3
63.00503	0.3
67.01891	3.1
69.43422	0.2
72.12166	0.3
79.95744	0.3
80.96513	0.6
83.01406	0.4
85.02969	0.6
87.00874	5.1
93.03476	0.4
96.96011	2.1
101.02414	0.3
111.00881	100.0
112.01207	1.8
135.04486	0.3
154.99826	0.4
161.02423	0.4
161.04559	0.6
173.00906	12.9
173.04604	0.5
191.05585	2.7
197.11852	0.3
221.65692	0.2
225.00967	0.3
229.28906	0.3
241.09839	0.3
276.07910	0.2
315.13428	0.5
471.15335	1.0
497.12750	0.3
594.00122	0.3
659.24750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
65.03955	0.3
71.01372	1.4
73.02923	0.4
74.99067	0.5
83.01355	0.3
83.42294	0.2
85.02952	1.0
93.03462	44.5
94.03792	1.1
101.02451	0.9
113.02489	0.5
137.02449	100.0
138.02789	2.5
161.02429	0.3
161.04500	0.6
173.04547	0.4
177.89723	0.3
179.03564	0.4
191.05688	1.3
195.06569	0.2
216.99118	0.2
258.61472	0.2
262.90710	0.2
299.07730	21.0
300.08121	0.9
515.14105	0.3
537.16669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	0.2
59.01379	2.3
61.98827	0.4
63.57599	0.2
69.03439	0.5
69.23907	0.6
69.24326	1.1
71.01379	2.5
72.99288	0.3
73.02943	0.7
80.02679	0.7
81.03457	0.7
83.01366	0.3
83.05023	3.3
84.02168	0.4
85.02949	0.6
87.00885	0.6
89.02441	1.9
95.05060	0.2
96.96046	0.3
97.02966	0.2
101.02445	2.5
109.06580	0.2
113.02454	1.5
119.03497	0.5
122.11076	0.2
125.02239	0.2
125.06075	0.3
128.32912	0.2
135.08156	0.4
142.31796	0.2
143.03455	0.2
144.99165	0.2
145.04997	0.3
145.82594	0.2
147.11792	0.2
155.10747	0.2
161.02513	0.3
161.04599	1.5
163.11276	2.1
164.11598	0.2
165.12851	1.7
167.14388	0.6
169.12289	0.3
171.10245	0.8
172.72928	0.2
179.05627	0.4
181.12338	0.4
183.13899	6.0
184.14246	0.3
191.05621	0.4
191.10776	0.5
193.12332	1.6
193.69542	0.2
209.11824	65.6
210.12178	3.3
211.13388	100.0
212.13725	5.0
215.52448	0.2
227.12878	9.7
228.13245	0.4
235.08215	3.1
249.14944	0.7
253.09283	7.9
254.09767	0.3
295.86731	0.2
403.24844	0.4
421.25488	0.3
429.21017	0.3
445.20761	0.7
447.22357	5.5
448.22818	0.4
574.73224	0.2
598.67145	0.2
621.32617	0.8
631.03125	0.2
639.33777	0.8
674.98920	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	1.5
59.01369	9.7
62.74607	1.0
69.47683	8.2
70.87788	1.0
71.01379	7.4
81.03462	2.7
83.01392	2.0
83.05018	4.5
84.02132	1.2
85.02934	2.3
87.00855	3.4
89.02422	3.2
93.03448	2.4
95.05009	2.6
96.96008	9.1
97.02924	2.5
97.06564	3.2
98.20614	2.5
98.95603	1.4
99.00860	1.6
101.02429	5.5
109.06593	14.3
111.00859	2.4
113.02443	2.4
135.08101	1.5
151.11279	14.8
161.02406	1.4
161.04590	2.4
163.11272	7.3
169.12337	61.8
170.12645	1.9
171.10217	1.5
181.12302	4.5
183.13849	2.9
191.05490	2.2
195.10257	1.7
195.74916	1.1
207.10246	23.6
209.11823	54.8
210.12196	2.7
211.13391	47.2
211.97249	1.2
212.13675	2.1
213.09514	1.1
213.11304	8.8
225.11282	10.6
227.12862	10.4
235.08223	3.2
253.09338	6.8
285.99170	1.2
359.22192	1.8
377.23233	2.7
395.24246	1.4
431.19290	2.6
432.05206	1.8
445.20749	1.5
449.20291	5.7
461.20145	2.9
476.62195	1.2
613.33179	1.3
639.30475	6.3
657.31219	100.0
658.31531	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	657.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01840	1.4
56.11437	1.3
58.00585	1.6
59.01374	20.5
61.98840	1.4
64.41695	1.4
65.03967	1.5
67.01888	17.6
68.99814	17.9
69.03442	2.0
70.89399	1.9
70.89716	2.3
71.01379	11.7
75.00867	2.2
81.03453	15.1
83.05004	1.4
85.02943	7.1
87.00858	4.1
89.02437	9.4
91.05519	3.4
93.03448	8.8
95.01372	1.9
95.05013	4.7
96.95991	15.7
97.49641	1.3
99.04549	2.1
101.02438	53.5
102.04702	1.5
103.05574	2.8
106.04339	1.7
107.05028	6.8
108.02171	1.9
109.02948	13.2
109.06580	7.4
110.99603	1.3
111.00892	1.5
112.01636	1.3
113.02425	4.9
117.03438	3.3
119.03497	5.2
119.04976	7.9
120.99641	2.6
121.02954	11.3
121.06595	16.4
123.04507	5.6
124.45617	1.4
127.04012	90.6
128.04330	2.4
131.05026	58.9
133.02972	7.0
133.06572	2.1
134.03722	2.0
135.04518	9.7
137.02437	2.3
137.06114	10.0
139.03986	2.4
143.03413	2.6
145.02965	6.6
147.04538	8.0
147.05600	1.5
148.04944	1.8
149.02362	2.6
149.06097	19.2
151.04012	4.1
161.02440	14.5
161.04552	2.2
163.03972	5.5
164.04784	1.8
164.23312	1.6
165.05435	7.4
167.07094	2.9
173.02419	2.4
173.04568	2.4
175.04002	23.9
177.05582	6.6
179.05608	1.9
181.05122	2.6
184.67467	1.6
191.03490	14.0
191.05591	25.0
191.07164	2.8
192.04221	2.6
192.05919	2.8
193.05037	90.2
194.05406	3.1
195.06691	2.1
197.04575	2.1
205.05009	4.6
207.06680	2.6
209.04497	1.9
211.06096	75.7
212.06609	2.0
217.05029	2.1
223.06061	10.0
225.07709	7.5
241.07161	100.0
242.07506	4.1
253.07057	13.3
291.12723	2.1
313.09229	15.2
403.12448	30.3
411.39929	1.5
513.09729	1.9
535.13824	1.5
561.16089	29.3
562.16229	4.0
579.17139	48.9
580.17645	5.9
597.17963	5.4
657.25543	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45171	0.2
59.01383	0.5
59.24983	0.2
60.17566	0.2
61.98832	100.0
66.91221	0.3
70.15520	0.2
71.55705	0.3
73.33183	0.2
77.06644	0.2
78.19450	0.2
78.95908	0.3
84.40702	0.2
94.96568	0.2
96.96069	0.2
109.02974	0.5
114.07104	0.3
129.77979	0.3
161.02487	0.4
182.08963	0.3
209.11775	0.5
211.13382	0.4
213.96370	0.3
236.88496	0.3
246.40474	0.3
535.28259	0.3
539.20276	0.3
656.36572	1.1
657.36615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12680	0.5
53.24121	0.5
53.24694	0.4
59.01373	0.9
61.98832	20.4
61.99157	1.0
62.15181	0.5
65.19714	0.6
67.61828	0.5
69.38226	1.1
69.38633	3.5
85.02967	1.5
93.03440	1.9
96.96011	3.4
98.20612	1.0
98.82126	0.6
99.04514	0.8
99.42368	0.6
107.01386	1.5
109.02943	1.1
135.00854	1.1
141.07169	0.7
151.00368	2.9
153.01952	1.2
161.02405	0.7
163.00340	1.4
173.04506	0.7
185.06149	1.8
187.03961	2.0
189.05603	0.7
191.05626	5.8
197.05896	0.7
201.05588	0.8
209.11853	0.8
211.04018	1.1
213.05565	1.9
227.03502	19.0
228.03838	1.1
229.05051	7.5
239.03461	1.1
241.04990	1.2
255.02980	35.9
256.03622	4.6
257.04504	4.9
257.16415	0.7
284.03262	54.6
285.04041	69.6
286.04449	5.2
327.05029	0.9
403.72339	0.6
409.75772	0.5
520.91003	0.6
593.15106	100.0
594.15405	14.3
596.29706	0.7
657.24005	2.5
671.72809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05334	0.5
58.14045	0.5
59.01376	0.9
61.98830	25.7
70.87584	1.0
80.78964	0.5
83.04929	0.5
85.02930	0.8
93.03469	1.5
96.95972	1.1
107.01380	0.7
109.02950	1.0
114.64978	0.6
120.99646	1.3
127.52007	0.6
135.00832	0.6
151.00362	2.1
152.66602	0.5
153.01990	1.0
159.04466	0.6
161.02333	0.6
163.00380	0.6
173.04558	0.8
185.06201	0.7
191.05635	6.6
211.04022	1.0
213.05463	0.7
227.03497	21.9
228.03876	1.3
229.05025	2.2
239.03523	1.0
255.02986	43.4
256.03534	4.2
257.04456	2.2
284.03256	72.7
285.03983	29.3
286.04388	1.8
327.05060	1.0
327.23593	0.7
435.77722	0.8
593.15088	100.0
594.15405	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	655.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
57.03403	0.1
59.01381	1.9
63.16962	0.1
71.01384	1.8
71.96592	0.1
73.02927	0.5
80.02666	0.3
81.03443	0.7
83.01385	0.4
83.05028	1.8
84.02169	0.4
85.02944	0.6
87.00911	0.8
87.01426	0.1
89.02462	1.0
93.03439	0.2
95.05035	0.3
96.95995	0.5
97.02927	0.2
98.19904	0.5
101.02453	1.8
101.13825	0.1
109.06543	0.3
113.02448	1.1
117.84966	0.1
119.03530	0.4
125.02411	0.2
135.08205	0.3
143.03514	0.2
145.05083	0.3
161.04552	1.0
163.11290	1.7
163.83525	0.1
165.12845	1.0
179.05537	0.2
181.12329	0.3
183.13904	0.2
191.05696	0.3
191.10806	0.4
207.10323	0.7
209.11823	100.0
210.12172	5.2
211.13397	2.0
212.13647	0.2
225.11269	1.3
227.12878	5.6
227.15137	0.3
228.13112	0.2
229.45763	0.2
235.08231	4.1
253.09297	4.9
254.09544	0.2
400.25635	0.2
401.23059	0.3
419.24121	0.2
445.20776	1.2
461.20157	0.2
569.30298	0.2
619.30731	0.2
622.97174	0.2
637.32373	0.6
649.81525	0.2
655.33203	0.9
665.91864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17680	0.3
57.03453	0.8
59.01381	1.1
60.99295	1.1
61.98835	1.0
67.01905	0.3
69.30873	1.7
69.31300	0.8
71.01393	2.1
72.93678	0.3
72.99292	0.3
73.33052	0.3
84.97676	0.3
85.02956	1.8
87.00896	0.9
88.98812	4.8
89.02457	1.0
93.03461	3.9
95.01370	0.4
96.96011	4.1
97.97350	0.3
98.19922	0.7
99.00837	0.4
101.02431	1.0
109.02982	0.4
111.00890	0.4
111.04512	0.8
111.86475	0.3
113.02404	0.6
117.03474	7.8
119.05040	5.9
120.99663	100.0
122.00079	0.9
127.04027	0.4
133.03006	0.8
133.05090	3.1
134.03723	0.4
135.04527	1.7
137.02477	0.9
137.09694	0.7
137.94751	0.3
145.02960	39.6
146.03275	1.2
151.00391	0.4
151.04048	0.5
153.02055	0.3
153.12822	0.5
155.03534	0.4
161.02469	1.7
161.04538	0.5
163.04019	10.1
167.99513	0.3
173.04584	1.7
175.04033	0.5
187.04022	0.6
191.05618	9.5
192.05930	0.6
195.13821	0.8
197.15529	0.4
207.13885	0.6
211.03937	0.3
213.05478	0.4
225.14960	3.0
227.03432	0.7
239.07176	0.4
249.05957	0.3
255.02995	3.1
256.03339	0.4
271.02594	0.3
283.02515	8.3
284.03067	0.9
285.04047	10.1
286.04419	0.9
299.01941	0.5
300.02499	1.1
301.03284	1.0
302.03894	0.3
307.08279	4.0
353.08713	0.4
387.85901	0.3
405.14044	0.3
430.08847	1.9
431.09692	2.8
432.09506	0.4
449.15045	0.4
503.24951	0.7
533.23926	50.2
534.16956	0.6
534.24304	5.6
565.15503	0.6
573.76379	1.2
619.16626	11.2
620.17267	1.6
638.09180	0.3
654.79224	0.7
655.14038	0.8
655.24823	3.3
655.63904	0.9
655.80438	0.5
656.25452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38873	2.3
59.01378	13.7
61.98824	4.4
71.01389	10.4
71.54713	1.7
71.55098	2.5
72.99290	2.3
73.02946	2.6
81.03470	1.8
83.05049	4.4
85.02947	5.8
87.00863	3.6
88.98849	3.6
89.02425	4.6
92.99196	1.8
93.03452	5.9
95.01307	2.1
95.05027	2.3
95.27526	2.1
96.96031	5.2
97.02914	2.9
101.02441	7.5
106.04295	2.6
109.06593	7.8
111.00907	2.1
113.02474	3.4
117.03466	2.1
123.08150	4.1
125.06087	2.5
125.09726	9.1
135.04526	2.4
149.09761	3.6
161.02417	7.3
161.04527	3.0
163.11296	8.8
171.10277	50.7
173.04532	4.2
175.11311	2.0
185.11806	8.6
187.09839	2.1
189.01903	13.4
191.05600	18.5
200.14159	1.9
203.42253	2.2
207.10277	29.7
208.10443	2.9
209.11830	95.3
210.12161	2.4
211.70363	2.2
221.04416	3.7
221.11963	3.2
225.11296	18.7
227.12938	12.9
231.10304	3.9
235.08246	6.5
245.11739	2.3
247.13454	3.6
249.11272	3.3
253.09431	10.5
263.12842	5.6
265.14490	3.9
355.22290	2.1
381.20697	2.6
399.21756	10.4
407.19266	4.6
417.22803	11.8
424.02026	2.2
435.23993	3.6
443.19241	4.4
445.20770	4.9
459.05713	2.0
461.20355	4.2
635.30835	30.8
636.31000	2.6
653.31213	100.0
654.31891	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	653.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88106	0.3
57.03439	0.4
61.98819	0.5
69.46841	1.2
69.47252	1.0
71.01379	1.3
72.08232	0.3
72.64709	0.3
73.02947	0.4
79.95743	0.4
85.02945	1.0
87.00864	0.7
93.03460	1.6
96.96006	3.4
98.19969	0.6
99.00932	0.3
99.04529	0.4
101.02453	0.7
109.02959	0.4
111.00932	0.3
113.02445	0.6
117.03466	7.0
118.98209	0.3
119.05029	5.5
120.99655	100.0
121.99961	0.9
123.04536	0.4
129.01939	0.4
133.02943	0.6
133.05067	0.4
134.03732	0.3
135.04535	0.9
141.36960	0.3
145.02956	34.6
146.03305	1.4
149.04475	0.4
152.08383	0.5
153.01947	0.4
153.09204	0.7
161.02403	1.6
161.04648	0.7
161.06123	1.0
163.04005	8.7
164.04410	0.3
173.04561	1.1
177.05661	0.3
179.03391	0.5
187.03969	0.4
187.07605	0.4
191.05614	8.0
191.07332	0.4
192.05919	0.4
202.06639	0.3
205.05096	1.2
205.12477	0.5
227.41286	0.3
265.07162	0.6
325.09369	0.8
353.08752	0.4
489.11899	0.3
497.12888	0.4
531.22357	37.6
532.22681	4.8
653.23151	3.1
654.22815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03439	0.4
57.11989	0.3
61.98814	0.5
65.00326	0.4
71.01379	1.8
71.56509	0.5
72.99325	0.3
73.02957	0.3
83.01412	0.3
85.02961	1.3
89.02460	0.9
93.03460	1.9
96.96008	3.2
99.00887	0.4
99.04543	0.4
101.02450	0.7
107.01375	0.5
113.02450	0.6
117.03473	5.4
117.05591	1.0
118.31379	0.3
119.05038	9.1
120.99661	100.0
122.00004	0.8
123.04529	0.4
125.02472	0.4
133.02972	0.7
133.06630	2.0
135.04506	0.5
145.02959	24.6
146.03305	0.9
149.04697	0.3
149.05959	0.4
150.99365	0.4
151.00365	1.8
152.01132	0.7
159.04462	0.4
161.02452	0.9
161.04776	0.6
161.06084	5.2
162.06467	0.4
163.04022	14.0
163.05408	0.7
164.04346	0.5
173.04562	0.9
177.05603	2.0
181.05074	0.8
183.04727	0.5
187.04037	1.0
187.07697	0.3
191.05623	7.7
191.07350	0.4
192.05988	0.7
197.04553	0.9
200.02864	0.3
201.05765	0.3
205.05064	9.9
206.05417	0.6
212.22743	0.3
235.06105	10.3
236.06462	0.5
257.08264	0.3
265.07178	21.1
266.07483	0.6
307.08206	0.4
325.09299	16.2
326.09674	0.9
499.09180	1.6
499.59195	1.2
531.22363	22.6
532.22675	2.6
652.71661	0.4
653.23444	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.3
61.98822	1.6
71.55710	0.7
73.02963	1.3
73.81868	0.8
93.03470	1.0
96.96030	1.1
108.94669	0.7
110.00100	1.4
117.03465	21.1
118.03721	0.7
119.05035	7.5
121.02955	27.5
123.04501	0.9
133.02948	2.4
134.03737	0.7
135.04556	0.8
137.99541	0.9
139.88873	0.8
145.02959	54.1
146.03279	1.9
153.01956	6.7
157.86287	1.2
161.02472	1.7
162.03099	0.9
163.04022	4.0
168.04236	4.4
191.05624	1.3
209.11827	2.0
259.75305	0.7
289.18015	1.7
389.04840	0.7
395.76279	0.7
483.30917	3.9
486.63144	0.7
487.34171	2.5
489.35898	1.5
557.34790	3.7
559.34161	0.9
577.52496	0.7
607.39886	2.1
614.21851	0.9
615.21997	2.0
615.37054	7.3
616.21368	1.9
616.37170	1.0
633.37946	31.6
634.38574	5.2
650.85022	0.8
651.39026	100.0
652.30011	1.2
652.39600	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	651.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.48857	0.6
61.98828	1.3
62.70230	0.7
66.09906	0.7
78.67329	0.6
92.55461	0.7
93.03439	0.7
111.00874	1.7
117.03471	22.5
118.03772	1.6
119.05038	9.0
121.02982	6.9
123.04519	1.1
125.87328	1.4
127.87045	2.4
129.86769	0.7
133.02953	1.2
135.04523	4.3
145.02962	57.4
146.03334	4.2
147.04515	0.9
157.86382	1.1
159.86038	3.9
160.86089	0.8
161.02438	1.5
162.03201	1.6
163.03999	7.6
176.19424	0.7
179.03494	1.9
191.05557	1.1
213.83673	0.7
487.34344	2.5
488.34488	0.9
569.34625	1.5
613.21460	2.6
614.20776	3.1
615.20795	5.6
615.36707	1.0
616.20947	1.8
633.37799	16.5
634.38470	2.4
651.38995	100.0
652.39441	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	651.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92303	1.2
58.67447	1.3
59.01368	3.4
61.98828	3.4
65.36128	1.1
71.01373	1.7
71.92322	1.2
73.02917	1.6
73.90730	1.1
78.95898	3.1
87.01340	1.5
89.02439	1.6
93.03435	1.6
117.03465	20.7
119.05025	5.2
121.02941	5.7
123.04559	2.0
133.02965	1.9
142.16899	1.3
145.02951	53.6
146.11432	1.4
152.25037	1.2
152.99554	2.9
161.02396	2.7
163.04037	4.4
175.64932	1.5
191.05740	1.3
235.08229	1.5
239.68633	1.4
253.21709	2.4
277.21829	1.8
292.09384	1.7
397.13330	2.8
398.44839	1.2
398.50464	1.4
406.90408	1.5
529.50507	1.3
593.27155	2.4
607.40155	3.8
615.36975	3.7
633.37915	18.3
634.38361	2.6
651.38989	100.0
652.39276	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	649.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37132	0.6
55.33949	0.6
57.73297	0.6
59.01393	1.7
59.70309	0.7
61.98832	1.1
71.01383	1.6
71.23273	1.1
72.69673	0.7
89.02443	1.8
93.34087	0.8
96.96038	1.0
97.02935	0.8
101.02454	1.7
113.02442	0.9
115.17439	0.6
117.03464	25.3
119.05026	9.0
121.02943	3.7
123.04498	1.8
126.05096	0.7
133.02953	1.5
145.02953	67.1
146.03296	2.4
158.98993	0.6
161.02385	1.3
161.40004	0.8
162.03166	0.9
163.04027	5.7
191.05602	1.4
251.20058	4.5
353.92371	0.7
396.58963	0.7
397.13635	3.9
415.14676	1.2
487.34164	1.3
589.35461	1.3
605.38678	0.9
631.36487	13.9
632.36627	2.4
649.37439	100.0
650.37860	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	649.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48737	1.9
55.77982	2.1
63.65519	1.9
68.67945	2.2
71.01393	3.7
71.04996	2.0
71.55331	4.1
77.07677	1.9
78.95910	45.1
85.28809	2.0
95.05040	4.4
97.02953	5.9
109.06612	18.6
110.03688	3.1
110.98550	21.7
115.40015	2.2
122.97645	2.5
124.69212	1.8
124.74750	2.2
135.08058	2.2
152.99574	8.9
161.09785	2.0
163.11293	13.3
167.01115	11.0
171.10268	6.6
179.10686	3.6
181.12352	7.3
183.10239	2.1
189.09171	5.5
197.11832	3.5
199.09756	8.2
207.10242	36.8
225.11343	70.8
243.12321	8.7
255.23297	100.0
256.23590	5.9
269.24557	2.2
375.11942	2.8
391.22464	3.0
393.13193	4.3
423.25055	8.9
617.34766	5.9
631.36127	46.0
632.36572	4.6
649.37231	51.3
650.37408	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	647.3587
Annotation	Hydratoperidinin
Peak:m/z	Relative Intensity
50.45156	0.3
50.87433	0.3
52.03804	0.3
59.01373	0.8
70.69130	0.7
70.69451	0.4
90.22328	0.3
91.20760	0.3
93.03459	0.5
106.04209	0.5
106.96281	0.3
111.63741	0.3
117.03485	1.2
120.26126	0.3
121.02970	1.0
132.02133	1.2
132.94673	0.5
133.02956	22.2
133.05038	1.0
134.03780	6.0
135.04524	12.8
137.02454	2.9
139.03976	1.3
145.02974	0.7
148.05246	0.4
150.03186	0.5
157.29301	0.4
161.02440	47.3
162.02809	1.4
163.04019	0.7
178.02748	1.0
179.03485	5.2
188.20415	0.4
209.11726	0.4
298.21158	0.4
408.08694	0.3
587.33899	3.2
601.35260	1.1
603.36896	1.0
611.33319	1.6
612.33807	0.5
629.34821	20.1
630.35236	3.3
642.51776	0.4
647.35858	100.0
648.36206	18.3
648.47156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59634	0.3
59.01394	0.7
67.01890	0.4
67.82239	0.3
69.03465	0.4
69.11746	0.3
71.01373	0.8
71.56054	0.3
78.95927	0.3
83.05025	0.5
85.02953	5.1
87.00861	1.3
87.38059	0.3
93.03458	3.5
96.96012	2.6
98.04343	0.3
109.02926	0.4
111.04520	1.9
112.98589	0.3
121.02961	90.3
122.03289	2.5
127.04057	1.6
133.02969	0.9
135.04543	1.2
137.02444	0.3
143.03561	0.3
150.24797	0.3
155.03543	1.8
161.02428	1.8
173.04546	4.2
179.03448	1.7
191.05612	100.0
192.05951	3.3
193.06059	0.8
200.48352	0.3
295.08224	22.0
296.08502	0.9
353.08768	17.2
354.09201	1.4
437.95532	0.3
464.67435	0.3
489.08450	0.3
657.64771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2879
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
57.03455	0.7
58.26019	0.5
59.01375	4.5
61.98829	1.5
67.01904	1.1
68.85453	0.5
69.00946	1.6
70.83636	1.5
71.01405	3.5
71.02504	7.0
72.00919	3.4
72.99300	0.8
73.02927	0.6
73.04087	0.6
74.02495	1.9
79.95727	1.0
82.01751	1.5
82.45889	0.5
83.02541	0.6
85.02965	2.0
85.04092	1.2
87.00877	1.8
89.02447	2.3
91.05533	1.2
93.03458	9.8
93.14434	0.5
96.96015	14.3
97.00441	1.9
98.01234	2.3
98.95608	1.5
98.96434	0.5
99.00940	0.6
99.01979	1.1
99.45528	0.5
101.02450	1.4
106.04225	1.2
107.05016	1.7
108.02184	0.9
109.02939	0.9
111.00877	0.9
111.02010	5.1
111.04488	0.9
112.02795	0.7
113.02454	1.1
116.05067	8.4
117.03462	1.7
117.07098	1.2
118.06647	4.0
119.03574	0.7
119.05038	10.6
120.04516	0.6
120.99624	0.6
121.02941	0.7
123.04481	0.9
131.03743	0.7
133.02965	0.9
133.05341	4.1
134.03801	1.2
134.06137	14.9
135.04559	3.2
136.07680	2.9
137.02440	0.9
143.03458	0.6
144.04546	1.0
145.02966	1.2
145.06635	0.5
146.06131	21.9
147.04556	1.6
147.06432	1.0
148.07610	0.7
149.04579	0.8
157.05296	1.5
158.06093	1.7
160.04048	1.2
160.07657	1.1
161.02473	1.4
161.04512	0.7
161.07245	2.2
162.03133	0.5
162.05618	5.6
163.04019	8.5
163.08768	1.0
164.07184	2.1
164.98602	0.6
170.06143	1.3
171.05661	0.6
172.04004	0.7
173.04613	4.0
173.07169	1.9
173.76485	0.5
179.03481	1.0
179.05583	0.6
180.06668	24.5
181.06975	1.1
183.05571	0.7
185.07213	1.2
186.05630	1.9
187.05135	19.0
189.06715	12.1
191.05635	12.5
191.08257	7.0
191.11923	1.2
192.05930	0.7
195.08163	2.3
199.07481	0.7
200.06010	1.2
201.06677	1.5
201.11327	4.0
203.08267	2.5
207.08115	1.0
209.11827	3.6
218.06976	1.5
221.09584	3.0
222.09308	1.6
224.10693	1.2
231.11348	1.5
234.15094	0.5
236.10852	0.9
242.61172	0.5
246.11633	0.7
247.12396	7.5
248.10837	5.4
253.09351	0.9
264.10266	5.2
266.11890	8.8
273.10333	2.3
274.11185	1.0
276.10291	1.5
281.12897	0.8
283.14435	2.5
290.13251	0.7
291.11450	2.7
292.09808	1.2
305.12842	0.5
309.12408	4.0
316.14429	0.7
318.16046	1.0
325.11908	1.1
327.13501	24.0
327.17422	1.2
328.13873	1.0
336.17349	0.8
339.17041	3.9
368.16608	1.0
377.16562	1.0
411.17041	3.8
422.22369	10.6
423.14148	0.6
423.22394	1.2
428.20184	2.4
449.14719	1.0
454.17892	0.8
455.16144	10.6
466.21393	6.4
467.15469	1.3
467.21701	0.8
472.18820	5.4
499.17569	4.7
500.18115	1.7
540.23108	0.6
541.24347	0.6
543.28247	0.9
603.30896	3.3
629.18884	0.9
629.27924	1.4
647.28833	100.0
648.29156	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	647.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99189	0.4
52.13927	0.6
57.03445	0.6
59.01105	0.8
59.01382	12.5
61.54386	0.5
61.98848	0.8
69.03458	13.7
71.01385	15.0
71.05023	28.5
73.02942	0.9
75.00893	0.5
77.03991	1.3
79.95744	0.7
80.96553	0.6
81.03473	0.7
82.95420	0.9
83.01392	2.0
83.74086	0.5
85.02945	3.0
87.00868	1.0
89.02438	3.4
93.03465	2.6
96.96020	9.2
97.02924	0.6
99.04516	0.9
101.02444	3.4
103.00400	0.6
107.05045	0.6
109.02908	0.8
111.00887	1.8
113.02463	3.4
115.93913	0.5
119.05021	0.8
121.02322	0.5
121.02966	14.9
125.02450	1.8
125.09721	1.3
131.03453	0.9
134.03745	6.0
135.04507	0.9
146.06143	1.3
147.00877	4.0
147.08163	1.5
149.04581	1.0
149.09737	3.7
151.00331	0.6
157.05222	0.6
161.02422	0.8
161.04552	1.0
164.98712	0.6
165.01936	1.1
173.04538	2.1
175.07616	0.7
177.09229	7.6
179.03426	0.6
180.06668	0.8
187.05086	1.2
189.06589	0.6
190.99864	1.2
191.05594	4.3
193.08713	0.8
201.11357	1.9
209.11867	2.9
210.12221	0.8
221.08195	100.0
222.08548	5.1
233.10342	1.1
235.08278	0.8
237.07722	1.7
249.14986	2.0
251.11327	1.5
291.08743	7.6
292.09155	0.9
293.12424	0.6
304.31976	0.5
327.13461	1.1
352.08173	0.6
363.10934	0.8
365.14502	7.8
369.12817	0.6
381.11972	0.7
397.13449	1.8
415.14594	0.9
422.22281	0.9
513.16125	27.8
514.16638	2.4
561.23822	4.0
603.25085	1.8
646.79150	0.8
647.30151	5.5
647.38446	2.3
648.28998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49356	1.3
58.54301	1.4
70.92416	3.5
106.67651	1.4
108.02157	1.4
109.02928	1.7
121.02932	2.3
140.96404	1.2
151.00352	9.7
163.00517	1.2
178.99850	5.9
227.03433	2.1
229.70226	1.2
243.03075	6.1
255.02960	18.4
271.02493	38.7
272.03073	1.7
283.02536	1.6
299.02054	1.4
300.02780	72.9
301.03458	27.3
302.03909	1.5
329.44406	1.3
418.49164	1.4
474.59116	1.5
499.48489	1.5
549.01434	1.6
609.14587	100.0
610.15002	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	643.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00643	0.3
59.01377	2.5
61.55257	0.2
61.98861	0.6
69.03490	0.7
71.01379	3.1
71.05049	0.3
71.54134	0.3
73.02979	0.7
79.95770	0.5
80.02707	0.7
80.96542	0.4
81.03461	1.0
81.78622	0.2
83.01421	0.4
83.05025	3.5
83.05465	0.3
84.02200	0.8
85.02969	0.8
87.00908	0.5
88.36422	0.2
89.02452	2.1
93.03442	0.4
95.05065	0.5
96.96013	11.2
97.02959	0.2
97.06581	0.2
101.02435	2.9
101.02994	0.2
109.06593	0.3
113.02448	1.3
119.03500	0.5
125.02484	0.3
125.06120	0.5
135.04611	0.2
135.08173	0.5
141.09264	0.3
143.03508	0.2
145.05046	0.5
147.11830	0.3
151.11293	0.3
153.09239	0.5
153.12842	1.3
161.04543	1.4
163.11281	2.7
165.12866	1.5
169.12341	5.7
170.12767	0.2
171.10213	0.8
173.04619	0.3
179.05608	0.5
179.10780	0.7
181.12352	0.5
191.05615	1.0
191.10760	0.8
197.11824	100.0
198.12144	4.1
199.13495	0.3
209.11818	81.3
210.12137	4.0
223.13412	0.3
223.16907	0.2
227.12875	11.6
228.13223	0.5
235.08189	2.9
235.13409	0.8
253.09261	9.6
254.09605	0.4
357.45798	0.2
365.54507	0.2
389.23193	0.6
415.19461	0.4
433.20792	4.9
445.20871	1.4
471.15021	0.4
541.41174	0.2
607.30975	1.0
625.31714	0.5
643.26501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31112	0.5
57.03443	0.9
59.01384	8.2
61.98822	1.3
65.73460	0.5
66.70147	0.5
71.01382	6.3
72.99310	1.1
73.02943	2.9
75.00864	0.7
79.95741	6.0
80.96513	3.3
82.96127	0.7
83.01404	1.3
85.02954	4.9
87.00877	1.1
89.02454	1.1
93.03457	1.9
95.95235	1.0
96.96014	100.0
97.02957	0.7
98.19910	1.1
99.00900	1.4
101.02457	3.2
108.73026	0.5
109.02949	0.7
111.00896	1.0
111.04559	0.5
113.02438	1.0
115.04012	0.8
119.03519	0.8
121.02980	3.3
129.01933	2.3
135.04541	0.9
137.02475	0.8
138.97063	0.9
150.97028	0.7
152.98631	2.2
161.02444	0.7
161.04591	0.5
164.98647	1.5
165.01900	1.6
168.98111	1.1
173.04547	1.8
176.98709	0.7
177.04021	5.1
179.03487	1.4
180.04327	1.2
187.57123	0.6
191.05638	8.2
194.99626	0.6
195.06696	1.2
197.11858	0.9
209.11888	0.7
215.07031	0.6
219.13792	0.7
225.07654	1.0
238.98680	2.5
241.00183	1.8
256.99728	34.1
258.00012	0.9
324.98837	1.1
395.13788	23.7
396.14224	1.0
417.15680	0.8
463.12610	3.8
469.14725	0.6
484.59381	0.6
505.05164	2.7
583.33160	1.2
595.22229	1.0
643.19055	66.1
643.28021	4.4
644.19275	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	641.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39204	0.5
55.01874	0.5
57.03430	1.2
58.00599	0.7
58.11433	0.4
59.01381	15.3
61.98817	1.2
62.18625	0.5
68.06625	0.4
69.03449	1.2
71.01002	0.8
71.01379	11.7
71.05013	1.1
72.99304	1.4
73.02948	2.4
75.00867	0.8
77.04025	0.4
81.03451	0.6
83.01385	1.7
83.05009	1.0
85.02954	4.4
87.00887	3.3
88.98798	1.6
89.01934	0.6
89.02449	10.6
93.03442	3.1
95.01377	1.0
95.05021	0.6
96.96009	9.7
97.02937	3.7
97.06591	0.8
98.19908	0.8
99.00879	9.8
99.04505	0.6
101.02446	8.9
109.02945	0.9
109.06567	0.9
111.00876	1.0
111.04511	1.0
113.02431	3.8
115.00426	0.5
119.03476	2.1
119.04974	0.5
120.99651	0.8
121.02927	0.7
123.04504	0.9
123.08199	0.8
125.02425	1.7
125.09705	4.0
127.03982	0.8
127.11304	0.8
133.02968	0.8
135.04527	1.3
137.02463	0.8
142.02673	0.9
143.03467	0.7
153.02036	0.5
155.14413	0.5
161.02470	1.0
161.04497	1.7
163.03995	0.6
163.11301	4.5
171.10281	0.7
173.04539	2.5
179.03427	0.8
179.05609	1.1
180.34077	0.4
181.12328	12.3
182.12628	0.7
191.05612	20.5
192.05939	1.4
197.11781	1.4
199.13394	12.7
200.13669	0.6
207.10246	25.2
208.10585	0.8
211.06125	0.5
221.06578	1.9
225.11310	46.1
226.11633	1.9
235.08195	1.2
243.12344	16.0
244.12679	0.6
263.07718	0.6
272.09598	0.4
305.10773	1.1
317.16046	0.7
397.13583	3.0
398.13538	0.6
415.14551	1.5
449.13803	0.6
461.20245	1.2
479.21176	4.5
496.94476	0.5
623.25592	14.3
624.25830	1.5
641.26581	100.0
642.27051	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	641.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21828	0.4
50.26817	0.6
50.79757	0.4
56.98234	0.4
57.03443	1.8
59.01389	3.5
61.98834	1.3
68.63103	0.4
69.03479	0.5
69.59727	0.5
71.01387	4.4
71.55038	0.4
71.55495	0.7
72.99297	0.7
73.02950	0.6
75.00873	1.5
78.95886	0.7
79.95731	5.7
80.18797	0.5
80.96532	2.4
84.02164	0.7
85.02958	5.3
87.00871	0.8
89.02483	1.1
90.73309	0.5
93.03460	2.5
95.95239	1.7
96.96010	100.0
98.48242	0.5
99.00873	1.4
99.04522	1.0
101.02444	1.5
101.08804	0.5
111.00838	1.1
113.02450	1.0
121.22881	0.4
125.02454	1.0
127.45464	0.4
128.08134	0.5
129.01941	2.6
133.02979	0.7
137.02469	0.6
138.97034	1.6
150.97066	0.6
152.98621	1.0
159.03014	0.4
161.02394	0.8
161.04535	1.1
168.65683	0.5
168.98094	1.5
173.04544	1.8
174.33342	0.5
176.98624	1.0
177.04056	7.0
191.05602	7.5
192.05904	0.7
193.35129	0.4
194.99673	1.4
213.00691	0.6
225.00670	0.9
241.00121	2.2
256.99722	40.7
258.00076	0.8
288.39014	0.5
296.36032	0.4
323.09955	0.5
449.14700	0.6
461.18329	3.3
463.20084	7.8
641.24823	90.1
642.25244	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	641.2487
Annotation	Cannabisin E
Peak:m/z	Relative Intensity
57.03451	1.5
59.01372	4.4
61.98837	2.6
65.03521	0.5
71.01382	6.6
72.99310	0.6
73.02969	1.2
75.00872	1.0
79.95744	11.8
80.96523	1.8
85.02952	6.2
87.00868	1.2
89.02459	1.4
93.03464	4.4
95.95219	5.0
96.96015	100.0
98.19876	1.3
99.00888	1.6
99.04528	0.7
101.02460	2.6
109.02962	1.3
111.00878	1.6
111.24024	0.5
113.02444	0.7
115.04028	0.7
121.03004	3.2
123.04507	0.5
127.04014	0.7
129.01961	2.2
133.02927	1.2
134.03664	0.7
135.04492	1.9
136.05261	0.7
137.02443	1.0
138.97026	1.5
145.02884	0.6
150.97093	1.9
151.00354	0.9
152.98608	1.5
161.02489	2.8
161.04533	1.5
164.98605	0.7
168.98146	1.2
173.04549	3.4
176.98607	0.8
177.04070	6.4
178.99855	1.2
179.03519	0.7
180.56769	0.5
180.98109	0.6
191.05640	12.4
194.99681	1.1
209.11940	0.9
241.00253	3.4
256.99738	28.7
365.23822	0.6
449.14575	0.9
463.20032	6.6
527.17554	1.1
619.22876	0.7
623.23187	1.0
632.23627	0.7
641.24823	85.2
642.25055	9.1
642.34802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21828	0.4
50.26817	0.6
50.79757	0.4
56.98234	0.4
57.03443	1.8
59.01389	3.5
61.98834	1.3
68.63103	0.4
69.03479	0.5
69.59727	0.5
71.01387	4.4
71.55038	0.4
71.55495	0.7
72.99297	0.7
73.02950	0.6
75.00873	1.5
78.95886	0.7
79.95731	5.7
80.18797	0.5
80.96532	2.4
84.02164	0.7
85.02958	5.3
87.00871	0.8
89.02483	1.1
90.73309	0.5
93.03460	2.5
95.95239	1.7
96.96010	100.0
98.48242	0.5
99.00873	1.4
99.04522	1.0
101.02444	1.5
101.08804	0.5
111.00838	1.1
113.02450	1.0
121.22881	0.4
125.02454	1.0
127.45464	0.4
128.08134	0.5
129.01941	2.6
133.02979	0.7
137.02469	0.6
138.97034	1.6
150.97066	0.6
152.98621	1.0
159.03014	0.4
161.02394	0.8
161.04535	1.1
168.65683	0.5
168.98094	1.5
173.04544	1.8
174.33342	0.5
176.98624	1.0
177.04056	7.0
191.05602	7.5
192.05904	0.7
193.35129	0.4
194.99673	1.4
213.00691	0.6
225.00670	0.9
241.00121	2.2
256.99722	40.7
258.00076	0.8
288.39014	0.5
296.36032	0.4
323.09955	0.5
449.14700	0.6
461.18329	3.3
463.20084	7.8
641.24823	90.1
642.25244	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	639.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03456	2.5
58.00591	1.4
59.01382	33.7
60.99304	1.0
61.98830	6.6
67.01873	0.8
69.03452	2.0
69.32620	1.3
69.33026	2.9
71.01384	40.2
71.48215	0.5
72.01694	0.5
72.99296	2.4
73.02952	9.6
75.00874	0.9
79.95736	0.5
81.03483	0.6
83.01406	4.5
85.02955	14.9
85.74124	0.5
85.96979	0.5
87.00887	3.6
87.04496	0.8
88.98806	6.3
89.02449	23.4
93.03466	1.8
95.01408	3.3
96.96012	4.9
97.02946	2.0
98.19855	0.9
99.00882	4.2
99.04527	1.1
101.02449	34.3
102.02774	0.6
109.02966	1.1
110.68073	0.5
111.00874	2.9
113.02454	15.1
116.92870	1.1
118.98103	0.5
119.03506	8.7
120.99705	0.7
121.02940	1.0
123.04482	0.6
125.02435	4.6
131.03491	2.2
133.02950	1.9
134.03737	0.6
135.04532	3.0
137.02419	0.9
141.01915	1.1
143.03494	3.5
149.04535	0.8
151.00302	0.6
152.01218	0.9
156.51714	0.6
159.02991	1.4
159.24522	0.5
161.02484	7.3
161.04538	11.5
162.02821	0.5
165.05574	0.6
167.03439	0.7
168.06648	0.7
173.04550	3.4
175.03989	0.7
179.03485	1.2
179.05614	11.4
191.05623	11.7
191.07327	0.6
192.05901	1.4
221.06587	3.2
233.06668	0.8
245.06624	1.0
263.07712	3.1
323.09634	2.8
417.24930	17.1
418.25296	1.0
471.34546	0.5
558.25928	1.7
577.18890	1.7
579.30206	100.0
580.30554	10.9
639.23053	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	639.323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68426	1.3
59.01378	31.4
61.98820	3.8
63.14732	1.5
71.01382	68.8
72.99299	1.9
73.02945	6.4
81.03457	2.6
83.05039	4.1
85.02942	4.7
85.31432	1.5
87.00858	2.1
88.95308	1.3
89.02435	6.9
96.96016	6.5
97.02956	4.7
99.00861	3.9
101.02451	10.5
102.70232	1.3
107.05009	2.7
109.06585	34.0
113.02446	4.8
116.92852	1.7
119.03532	1.8
119.05082	1.6
121.06595	3.3
125.09709	2.1
127.11335	2.4
135.08159	3.9
142.02710	2.8
149.02390	1.9
153.54155	1.5
155.10753	1.8
158.83376	1.3
161.04539	3.2
161.09724	2.7
163.11295	19.2
171.10278	13.9
181.12335	6.4
185.11792	1.5
197.11871	3.3
199.09729	3.6
201.11307	9.0
207.10257	100.0
208.10580	3.3
209.11848	3.4
215.12848	2.0
225.11307	62.9
226.11684	3.5
243.12306	3.2
253.09309	23.9
280.09515	1.4
445.29324	1.6
461.20258	28.7
462.20898	6.2
595.32574	3.3
639.37775	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	639.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
58.00574	1.5
59.01378	28.7
61.98821	2.8
61.99117	0.9
69.44620	3.7
69.45046	2.9
71.01378	69.0
72.99311	1.2
73.02940	3.5
74.85572	0.7
78.95895	1.7
80.02658	1.0
81.03449	3.1
83.01379	1.4
83.05014	3.3
85.02941	4.3
87.00867	1.3
89.02460	7.1
92.79414	0.7
93.03426	1.4
93.60726	0.9
95.01356	0.9
96.96019	6.3
97.02921	5.3
99.00890	2.2
101.02444	10.4
107.05050	1.2
109.06588	35.4
110.03712	1.9
111.00874	1.3
113.02460	5.4
119.03468	2.3
121.06571	2.0
125.09788	1.6
125.87389	0.9
127.11254	1.9
134.69743	0.8
135.08148	3.6
136.05261	1.2
139.07668	0.9
142.02724	2.5
143.03493	1.1
149.02370	1.0
161.02312	1.8
161.04530	3.9
161.09669	1.8
163.11292	19.1
165.09186	1.1
171.10251	12.5
181.12354	7.1
185.11830	2.9
188.68687	0.9
189.09129	2.3
191.05611	1.3
197.11859	1.2
199.09698	3.7
200.88104	1.4
201.11305	6.5
207.10245	100.0
208.10524	3.0
209.11810	3.7
214.19626	1.0
215.13019	1.2
225.11308	60.0
226.11612	2.7
243.12366	4.5
253.09285	27.6
299.14969	1.8
391.23416	0.9
425.42096	0.8
461.20264	24.8
462.20987	6.3
595.32373	1.6
602.08801	1.1
603.09705	2.6
604.08832	2.0
639.38068	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01755	0.9
61.98836	4.5
64.36293	0.7
71.01383	1.8
74.82753	0.9
78.51997	0.7
78.95913	0.8
78.98584	2.0
79.95761	2.9
80.96519	19.8
80.97003	1.0
83.05038	1.0
87.00909	0.8
94.98100	4.2
101.02502	0.7
101.53564	0.8
101.61746	0.7
113.09756	2.4
115.99288	0.8
122.97530	0.8
125.02493	0.9
126.61859	0.8
134.97653	1.3
148.99207	1.7
152.98653	1.8
154.26970	0.8
164.98618	4.0
176.50279	0.8
209.11847	27.4
210.12215	1.3
225.00714	7.2
227.12967	3.1
285.20331	0.9
293.21246	36.5
294.21707	1.3
299.04443	4.7
359.71927	0.8
497.79648	0.8
555.28467	46.3
556.28851	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	639.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03440	0.8
58.00579	0.7
59.01381	13.0
61.98838	3.2
66.43214	0.5
69.03459	3.3
71.05026	1.5
71.48195	0.5
72.99303	1.0
73.02943	1.8
73.19970	0.5
74.99101	0.5
75.00881	0.5
80.96550	0.5
81.03457	0.7
83.01397	1.1
83.05016	0.6
85.02958	3.5
87.00876	2.9
89.02450	8.5
93.03481	1.0
96.95996	1.8
97.02946	1.4
99.00869	0.8
101.02449	6.5
109.02930	0.5
111.00884	0.7
113.02441	3.4
116.92844	0.6
119.03503	1.6
119.04999	0.6
123.08142	0.6
125.02444	1.6
125.09730	1.6
143.03459	0.5
147.04477	1.5
151.11279	1.3
153.12833	1.5
161.02466	0.7
161.09715	1.6
163.04036	0.6
165.05553	1.6
173.04494	1.0
174.88843	0.6
179.10788	4.7
191.05637	3.9
195.62769	0.5
197.11836	48.2
198.12146	2.2
221.06699	0.8
223.09816	0.9
235.08098	0.5
241.10847	5.0
253.09445	0.6
299.01971	1.6
348.82910	0.5
397.13431	1.2
469.38266	0.5
565.07892	0.5
639.25067	100.0
640.25458	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	637.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01379	4.9
61.98819	1.8
64.80034	0.5
65.32610	0.4
67.01884	1.6
68.54147	0.5
71.01395	3.1
71.56256	0.5
72.99320	0.9
73.02959	0.6
79.95753	1.1
81.03446	0.7
85.02957	11.5
87.00887	3.8
88.98807	1.3
89.02431	1.5
93.03465	8.5
95.01398	0.7
96.96014	11.7
99.04531	1.0
101.02454	2.3
107.05018	0.6
109.02945	2.4
111.00896	0.9
111.04530	1.6
113.02473	1.3
116.92842	1.5
117.03442	0.5
119.03473	0.5
119.05039	1.7
121.02975	0.7
127.04023	3.5
133.02916	0.7
134.03680	0.8
135.04524	1.6
137.02472	3.7
144.34010	0.4
147.04504	3.1
150.03244	0.5
153.01952	1.0
155.03532	1.1
159.04562	0.5
161.02419	1.9
161.04588	0.9
161.53181	0.4
163.04018	0.9
165.05573	5.3
169.01476	0.5
171.02983	0.7
172.05341	1.0
173.04547	3.9
175.03886	0.6
179.00032	0.4
179.03571	0.5
179.05519	0.6
181.05057	1.0
187.04053	0.9
187.07646	1.6
189.05611	0.8
191.05617	100.0
192.05966	2.8
193.04883	0.5
198.31219	0.4
199.04007	1.9
200.04764	0.8
202.06381	0.4
207.06642	1.0
211.04012	0.8
227.03510	5.5
228.04239	3.2
231.10248	0.6
241.07260	1.0
255.03035	0.7
257.08188	1.4
264.80130	0.4
275.09512	0.4
283.13394	10.0
285.03928	0.6
301.14529	2.9
309.14966	1.6
311.12906	2.9
325.14478	1.3
327.12564	0.5
327.16016	1.8
328.02240	0.9
329.14011	1.4
353.13931	5.6
371.15079	3.5
376.50211	0.5
382.13309	0.5
401.15814	0.7
403.17664	1.0
419.20901	0.6
445.18665	39.3
446.19016	2.9
463.19675	1.0
495.32675	0.5
577.28406	0.9
601.24890	0.7
637.15649	0.6
637.25214	5.6
637.34943	0.7
638.24957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.4
61.98834	100.0
71.41307	0.5
78.95922	1.4
82.95432	0.7
103.70933	0.4
152.99638	0.7
154.45667	0.4
159.92332	0.4
161.26282	0.4
171.10352	0.6
180.04381	0.4
255.23402	0.7
256.23697	0.7
347.20374	0.5
461.14151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53564	0.3
57.03438	0.8
59.01148	0.3
59.01380	3.3
60.99280	0.5
61.77516	0.2
61.98839	0.6
67.01881	1.2
68.99800	0.3
69.03448	0.6
69.26612	0.6
69.27018	1.9
69.52745	0.3
71.01377	3.3
72.99310	0.6
73.02940	0.7
74.99090	0.3
79.95746	0.7
80.36498	0.3
80.96503	0.4
81.03479	0.7
83.01422	0.4
83.05009	0.7
85.02948	11.2
85.03463	0.6
87.00873	3.7
88.98809	0.7
89.02464	1.2
93.03460	9.8
95.01378	0.3
96.96014	5.2
99.04530	1.0
101.02470	1.3
107.05040	0.5
108.02168	0.4
109.02950	3.2
111.00886	0.5
111.04512	2.1
113.02481	0.5
115.04161	0.3
116.92869	0.5
118.98038	0.3
119.05026	0.9
120.99662	1.5
121.02966	0.6
124.34292	0.2
125.02393	0.5
127.04005	2.8
129.01866	0.3
134.03719	0.4
135.04532	2.0
137.02469	1.7
145.02951	0.6
153.01933	3.4
159.04501	0.6
160.01663	0.3
161.02435	1.1
161.04555	0.7
163.04002	1.0
165.05563	0.4
170.72929	0.3
171.02963	1.0
171.04398	0.4
172.05356	1.7
173.04549	4.7
173.06000	0.5
174.03209	1.3
175.03947	0.8
179.03459	0.8
179.05525	0.5
181.05052	0.6
183.04448	0.5
187.03999	0.7
187.07639	0.6
191.05606	100.0
192.05922	2.8
197.06029	0.4
198.06857	0.4
199.03999	1.0
200.04790	0.3
201.05452	0.2
207.03012	1.4
211.07660	0.3
225.04138	0.3
227.03455	1.8
228.04314	1.3
233.06680	0.7
254.19865	0.3
255.02747	0.3
255.80920	0.3
257.08289	0.5
258.08496	0.4
275.09363	0.4
278.05994	0.5
281.15494	1.2
283.13412	4.2
299.16956	0.4
301.14511	1.4
309.14944	5.1
311.12906	1.0
325.14474	0.6
327.15994	2.7
329.13998	0.8
335.12897	0.3
340.68860	0.3
350.04172	0.4
353.09668	0.4
353.13943	5.0
368.05457	0.5
371.14981	2.1
383.07712	0.8
403.17679	0.7
417.19052	0.5
419.20706	0.4
427.17584	1.1
445.18658	32.0
446.18942	2.5
463.20035	0.9
515.22986	0.5
551.14447	0.7
557.13080	2.2
558.13062	0.6
593.15668	0.4
601.25085	1.7
619.23981	4.9
620.24341	0.8
637.25598	3.6
637.36450	0.6
637.67908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.8
61.98816	0.7
70.67860	1.0
70.68194	0.6
77.58042	0.4
78.95916	0.8
84.91764	0.4
99.33010	0.5
117.03467	24.6
119.05031	6.5
121.02963	4.8
123.04533	1.6
133.02943	1.1
134.03801	0.8
141.01747	5.9
145.02954	63.3
146.03287	1.8
147.04530	0.7
162.03267	1.1
163.03961	2.8
173.05998	0.6
192.03535	0.5
248.88240	0.5
255.23106	0.6
256.03232	0.6
289.42130	0.5
430.63678	0.5
471.34879	2.0
472.35428	0.6
486.57272	0.5
553.35126	1.6
591.40668	1.7
599.21936	0.9
617.38434	24.8
618.38513	2.7
635.39496	100.0
636.39886	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	635.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
59.55722	0.4
60.77293	0.4
61.98816	0.8
69.25570	3.6
71.88139	0.4
78.95905	0.6
91.21722	0.5
96.96004	0.6
98.19870	0.9
117.03467	21.9
118.03777	0.6
119.05029	6.5
121.02960	4.0
123.04510	0.7
127.71781	0.5
128.51736	0.4
133.02959	1.2
145.02957	51.9
146.03256	2.0
162.03227	1.5
162.83952	0.8
163.04027	2.6
164.83551	0.5
212.58472	0.4
244.61423	0.5
280.02789	0.4
408.91852	0.5
471.34738	3.0
473.80212	0.5
478.49173	0.5
553.27155	0.5
553.35089	2.2
591.40393	1.4
617.28198	0.9
617.38452	23.9
618.38940	3.6
635.39502	100.0
636.39777	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	636.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
65.76656	0.4
66.84052	0.4
71.11143	0.7
71.11484	0.6
72.93836	0.4
75.31798	0.4
75.44443	0.4
78.95914	1.4
80.44127	0.4
90.35433	0.4
121.13482	0.4
152.99590	0.9
161.99191	0.4
207.10266	0.4
207.33675	0.4
235.38544	0.4
255.23315	0.5
256.23773	0.6
301.79489	0.4
341.71088	0.4
447.98309	0.4
492.23990	0.4
636.35797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36915	0.4
61.98833	100.0
64.82546	0.5
69.52971	3.1
70.43068	0.4
78.95890	3.1
79.50527	0.4
130.40030	0.4
152.99611	1.0
183.85551	0.6
184.87952	0.4
255.23262	0.9
399.14651	0.6
418.13452	0.5
635.36310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.38
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31037	0.2
60.17362	0.2
61.98833	0.4
71.01389	0.3
71.54105	0.3
78.95920	0.3
89.04012	0.3
93.03423	0.3
96.96051	0.2
101.02460	0.2
108.49760	0.2
117.03468	29.4
118.03820	0.6
119.05032	7.7
120.05397	0.3
121.02955	5.4
123.04532	1.4
132.05829	0.6
133.02942	1.6
134.03758	0.3
145.02954	66.0
146.03302	2.0
147.04518	0.6
149.02458	0.2
160.84218	1.1
162.03218	1.6
162.83939	2.0
163.04001	4.1
166.28471	0.2
171.10173	0.2
191.05608	0.2
203.53491	0.2
453.33563	0.3
471.34894	3.6
571.37878	0.6
573.35864	1.4
574.36395	0.3
587.37512	0.3
589.38763	1.6
590.39490	0.3
597.35828	1.7
615.36890	18.8
616.37183	2.7
633.37927	100.0
634.18152	0.8
634.38312	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	633.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26964	0.2
59.01382	0.2
61.98819	0.2
62.62655	0.2
63.16490	0.2
65.14784	0.2
69.33279	1.1
69.33683	0.4
78.70319	0.2
88.77280	0.2
89.04006	0.2
91.27418	0.2
96.96018	0.3
98.19845	0.3
101.61934	0.2
104.14924	0.2
104.89050	0.2
117.03468	28.1
118.03825	0.7
119.05027	7.6
121.02955	5.7
123.04533	1.4
132.05797	0.4
133.02960	1.3
134.03737	0.7
145.02954	66.0
146.03291	2.2
147.04489	0.6
162.03217	1.3
163.04015	4.5
191.05696	0.3
289.65317	0.2
523.58740	0.2
571.38080	0.5
573.35608	1.5
589.38544	1.4
590.39233	0.3
597.36078	1.2
598.36011	0.3
615.36896	18.3
616.37244	2.7
633.37933	100.0
634.38324	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	633.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08742	0.6
59.01355	0.8
69.00945	0.7
71.01402	0.9
71.02507	8.8
72.00895	3.6
73.25499	0.6
74.02465	1.3
80.32659	0.7
82.01720	1.6
83.02515	0.8
85.02947	0.9
85.04070	9.5
87.00880	1.0
91.05524	2.3
93.03453	6.8
96.96004	2.8
97.00439	1.8
98.01201	2.6
98.20653	2.2
99.01997	1.7
106.04244	0.7
107.05026	1.6
111.00890	7.2
111.02007	3.6
112.01228	1.1
116.05048	6.1
117.03507	1.2
118.06646	4.4
119.05035	10.1
121.26954	0.8
123.04554	0.6
125.02344	0.7
132.04576	0.9
133.02992	0.9
133.05333	3.1
134.06125	10.0
135.04559	1.0
136.07660	2.3
145.02943	2.3
146.06116	12.4
147.04543	1.1
157.05333	0.9
158.06117	0.8
160.04007	1.1
160.07726	1.4
161.02437	0.8
161.07231	1.3
162.05621	4.6
163.04010	8.8
163.08719	1.4
164.07132	1.6
171.05608	0.8
173.00890	0.7
173.04634	1.3
173.07166	2.1
174.05545	1.7
175.08714	2.5
177.10330	1.3
178.08797	1.4
180.06656	40.4
181.07019	1.3
183.05594	1.2
185.07169	1.4
186.05693	0.8
187.05099	8.2
187.08797	1.7
189.06693	17.6
191.05638	4.4
191.08249	9.2
195.08157	0.8
198.06735	1.4
198.10347	1.1
199.05162	0.9
201.06606	0.8
213.09174	1.0
215.08253	0.8
218.06898	3.3
221.09517	2.9
222.09250	0.7
224.10748	0.9
226.09982	0.8
247.12354	6.0
264.10184	3.2
266.11826	9.9
270.11334	0.7
276.10233	2.8
283.14545	2.5
291.11319	1.2
292.09946	0.9
295.14407	0.7
302.12714	0.7
304.14563	2.2
309.12402	3.3
316.14551	4.3
322.15631	2.1
325.15594	2.2
327.13492	25.6
328.13702	1.8
353.11310	1.7
408.20804	12.5
409.20822	1.3
411.16995	3.3
413.18735	0.9
434.18607	1.4
451.16058	1.5
452.19745	17.9
453.20117	1.6
455.16040	7.7
457.17538	0.7
472.18616	1.5
499.17261	2.3
500.18018	1.6
520.65906	0.9
536.15302	0.9
541.20599	1.1
571.27399	1.3
589.28180	1.6
633.27167	100.0
634.27576	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	633.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01381	1.2
64.37912	0.1
67.01891	3.5
69.22977	0.7
69.23403	0.4
71.01391	0.2
74.98962	0.1
75.98285	0.1
83.01422	0.2
85.02955	0.3
87.00880	5.1
88.77328	0.1
91.72906	0.1
96.96007	0.4
98.20650	0.3
101.02433	0.2
111.00887	100.0
112.01237	1.5
129.01999	0.1
154.99918	0.3
173.00914	14.1
174.01257	0.3
187.50882	0.1
191.05637	0.5
301.29141	0.1
339.15671	0.1
415.23087	0.2
547.24017	0.4
633.23950	1.8
634.24738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64034	0.7
70.09380	0.1
71.01385	0.1
78.95905	3.3
79.95737	3.3
90.43836	0.1
90.67627	0.1
93.03466	0.2
94.92433	0.1
96.96011	100.0
96.96898	4.7
97.95949	0.3
98.02467	0.1
98.95584	0.1
119.05028	0.4
121.02953	0.3
133.01434	0.4
135.04483	0.1
159.49963	0.1
160.56790	0.1
163.04033	0.6
167.03598	0.1
179.03542	0.1
182.23811	0.2
191.05637	1.2
208.95763	0.1
210.09108	0.1
267.06754	0.1
353.91190	0.1
441.66776	0.1
491.83450	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	633.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64034	0.7
70.09380	0.1
71.01385	0.1
78.95905	3.3
79.95737	3.3
90.43836	0.1
90.67627	0.1
93.03466	0.2
94.92433	0.1
96.96011	100.0
96.96898	4.7
97.95949	0.3
98.02467	0.1
98.95584	0.1
119.05028	0.4
121.02953	0.3
133.01434	0.4
135.04483	0.1
159.49963	0.1
160.56790	0.1
163.04033	0.6
167.03598	0.1
179.03542	0.1
182.23811	0.2
191.05637	1.2
208.95763	0.1
210.09108	0.1
267.06754	0.1
353.91190	0.1
441.66776	0.1
491.83450	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	631.3631
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
61.98816	0.9
65.44605	0.4
68.99570	1.2
71.01423	0.6
71.55153	0.5
78.95889	0.6
112.98567	1.1
114.93437	0.8
117.03471	27.0
119.05035	15.9
119.05898	0.6
119.93524	0.5
121.02957	4.0
123.04511	0.7
132.05791	0.6
133.02933	1.3
135.04535	0.7
145.02954	64.0
146.03271	1.7
147.04549	0.9
162.03232	0.8
163.04012	13.0
184.00574	0.4
191.05627	0.6
195.77013	0.4
427.16458	0.5
571.34290	0.6
587.37170	1.2
595.35034	0.5
613.35309	14.8
613.45398	1.0
614.35547	2.3
631.36346	100.0
632.36609	13.9
632.47021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42834	0.1
52.39330	0.1
57.03446	1.8
59.01381	1.2
61.98820	0.1
67.01891	3.1
69.28147	0.2
69.28562	0.8
71.01378	0.4
73.02942	0.2
83.01387	0.3
85.02939	0.7
87.00878	5.4
88.01221	0.2
89.02430	0.2
93.03466	1.1
96.96013	1.1
101.02469	0.4
111.00883	100.0
112.01224	1.6
113.02449	0.2
123.04481	0.1
126.90453	0.2
133.02942	0.2
135.04510	0.3
137.02519	0.2
150.03201	0.2
154.99887	0.3
158.03452	0.1
161.02461	0.3
161.04561	0.3
163.04039	0.1
165.05606	0.2
166.05139	0.1
173.00906	13.7
173.04323	0.6
174.01274	0.4
175.03961	0.1
179.03548	0.1
181.04941	0.1
191.05620	2.2
192.05956	0.2
195.06534	0.2
209.11673	0.2
314.71503	0.1
319.24725	0.1
431.22867	0.4
449.14554	0.8
545.22028	0.2
587.23920	0.2
596.84137	0.2
613.21686	0.2
631.22736	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53630	0.4
61.98834	100.0
62.64251	0.3
70.28224	1.3
76.06850	0.3
87.85269	0.3
131.49568	0.3
161.10724	0.4
169.76355	0.4
178.44981	0.3
198.34586	0.3
202.35617	0.4
267.10529	0.3
280.73282	0.3
325.32870	0.4
374.13773	0.3
434.89627	0.3
547.60120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24617	54.7
59.01376	62.2
61.98824	100.0
71.01388	64.1
71.56142	53.9
72.14063	51.6
90.95279	56.0
96.96001	80.2
145.02928	72.1
171.10226	71.8
172.13254	52.5
216.23796	51.7
225.11104	54.7
311.22083	65.9
569.31976	94.2
646.97101	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98823	0.2
69.26747	0.6
69.27151	0.2
71.01377	0.2
79.95743	3.3
85.02945	0.1
87.00893	0.1
93.03464	0.4
96.96016	100.0
97.95953	0.3
98.95600	0.4
101.02409	0.1
111.00863	0.7
135.04530	0.9
142.61469	0.1
150.03210	0.2
173.04549	0.3
179.03493	0.6
181.05093	0.3
191.05623	1.1
192.05902	0.1
195.06619	0.1
209.11876	0.3
227.03455	0.2
227.12856	0.2
255.03026	0.3
284.03339	0.6
285.04074	0.9
383.00763	0.2
447.73166	0.1
449.14578	0.5
451.12982	0.2
489.10413	1.0
631.16089	1.6
632.17163	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09011	0.9
57.03441	2.8
59.01366	2.0
61.98809	2.0
71.01367	1.5
71.02599	2.0
73.97966	0.9
78.95901	42.0
80.96521	3.3
82.95396	1.7
85.02925	1.2
93.03441	2.1
94.98056	1.1
96.96002	9.9
96.96943	8.1
98.95590	1.2
99.08134	1.7
101.02457	1.2
111.00867	2.7
121.02939	2.5
129.09248	1.8
133.02910	1.2
135.04506	1.7
137.02460	0.9
139.11269	0.9
143.04626	0.9
152.99585	47.0
161.02415	2.6
161.04532	1.5
169.12320	1.6
171.00708	2.0
173.04474	2.0
179.03543	1.6
181.12306	2.3
184.61748	0.9
191.05615	6.7
193.12299	1.4
197.11798	6.9
199.13348	2.8
209.11819	1.5
211.13385	8.8
212.13817	1.1
223.00116	3.5
225.00777	1.0
229.40523	0.8
241.01186	14.8
275.19986	1.2
282.91727	1.0
293.21222	5.5
311.22318	16.4
315.04843	5.2
619.63751	1.1
627.27783	100.0
628.27960	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	627.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66343	0.6
59.01382	34.0
61.98842	0.7
65.03962	2.3
67.01880	1.1
67.86321	0.6
70.93218	0.8
70.93552	1.0
71.01381	1.1
72.05180	0.5
85.02972	0.9
88.98786	2.8
89.02465	1.5
91.01895	26.0
92.48533	0.6
93.03430	1.6
96.96010	4.0
101.02441	0.8
106.15437	0.7
108.02192	2.0
109.02961	32.6
109.05991	0.6
110.03329	0.7
121.02955	1.4
123.82107	0.5
127.85523	0.6
133.02954	1.8
135.00890	100.0
136.01231	2.0
137.02446	3.7
145.02945	0.9
147.00923	0.7
147.04558	0.7
148.01605	0.7
148.07402	0.7
149.02467	1.9
151.03998	1.3
153.01945	96.9
154.02342	1.9
161.02452	0.7
163.04005	0.9
173.04608	0.9
175.04016	2.5
177.01918	3.7
191.03856	0.8
191.05605	6.0
192.05994	0.6
197.06056	1.3
203.61214	0.6
225.05588	0.9
243.06616	9.4
297.06155	68.6
298.06418	2.9
405.11896	81.7
406.12231	5.6
579.85944	0.6
627.16370	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03436	0.8
57.94910	0.5
59.01376	4.6
61.98815	0.9
67.01861	0.6
68.99806	1.1
69.03448	1.2
69.38818	3.8
71.01382	7.2
72.99300	0.9
73.02930	1.8
79.01871	0.5
79.84696	0.4
81.03442	1.0
83.01379	1.0
85.02958	4.3
87.00895	0.9
88.98789	0.8
89.00336	1.9
89.02429	3.5
89.59605	0.4
90.27165	0.5
91.01889	0.9
93.03440	2.9
95.01378	2.1
96.95997	1.7
97.02927	1.1
99.00903	1.3
99.04522	0.8
101.02449	2.4
106.00588	1.9
107.01389	7.4
107.04973	0.6
108.02177	39.5
109.02957	22.7
111.00904	1.2
113.02417	1.3
119.05067	0.5
120.99613	2.0
121.02958	31.1
123.00896	3.0
123.04508	1.2
124.01698	2.4
125.02425	1.3
127.00358	0.7
127.04012	1.4
133.02934	1.1
135.00870	1.1
135.04501	2.0
136.98787	0.9
137.02423	1.2
138.03252	1.1
139.00317	0.7
139.04002	7.3
145.02936	1.5
149.02438	0.6
149.06110	0.5
150.03143	0.9
151.00462	0.6
151.04001	1.3
152.01152	54.5
153.01952	18.1
153.05569	17.4
153.58667	0.4
160.65546	0.5
161.02385	0.8
161.04498	1.2
163.04065	2.5
165.01942	1.8
165.05582	0.8
166.02708	0.9
167.03418	1.1
168.00644	4.4
173.04523	1.7
175.03978	0.6
179.03540	0.7
181.05032	1.9
182.02200	1.9
183.02982	24.3
184.03278	0.5
191.03752	1.0
191.05605	9.1
192.05975	0.6
193.05072	0.8
195.02974	0.7
195.06577	1.4
197.04547	24.9
198.04802	0.8
209.11775	4.5
210.12082	2.1
211.12419	1.0
223.06137	0.7
225.03917	0.7
241.07220	1.1
315.07281	1.8
326.25641	0.5
349.70346	0.5
357.08472	0.6
357.13138	0.5
391.19101	0.5
411.09576	0.6
429.10345	8.1
447.11435	18.7
448.11447	1.3
459.11594	1.1
475.92917	0.6
595.13690	0.6
627.15643	100.0
628.16052	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	626.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.21973	1.4
69.22370	7.2
78.78194	0.8
85.22037	0.7
102.23206	0.7
138.43983	0.7
144.49153	0.7
158.58955	0.8
222.13620	0.7
318.96936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57607	0.4
57.03437	0.9
58.00605	0.7
59.01380	17.1
67.01886	0.6
69.03452	1.0
69.86414	0.4
70.35889	1.4
70.36262	0.8
71.01003	0.9
71.01384	12.8
72.99301	0.8
73.02939	2.8
75.00867	0.6
80.02674	1.3
81.03455	1.9
83.01383	1.3
83.05024	6.3
83.82892	0.5
84.02186	1.4
85.02957	4.4
87.00877	3.2
89.02447	13.2
93.03470	2.1
95.01402	1.1
95.05029	0.8
96.96011	1.7
97.02956	2.2
97.81641	0.4
99.00870	1.1
101.02442	10.9
107.18013	0.4
109.02956	0.5
109.06568	0.5
111.00893	0.6
113.02454	5.1
119.03517	4.3
119.04960	0.5
125.02455	4.3
125.06093	1.1
131.03531	0.5
133.02985	0.7
134.03693	0.9
135.08229	0.6
137.02496	0.5
143.03494	2.5
145.02866	0.5
160.01614	0.8
161.02460	1.1
161.04561	3.4
163.11276	4.9
165.12875	2.8
173.04521	0.7
175.04012	1.0
179.05600	3.2
181.12421	0.7
185.04491	0.5
191.05611	6.6
191.10760	1.2
207.06674	0.7
209.11826	100.0
210.12181	3.8
217.07178	0.6
221.06638	1.2
227.12875	20.8
228.13237	0.7
235.06108	0.9
235.08214	4.7
253.09204	1.3
263.07767	0.8
264.47552	0.5
277.71390	0.5
278.89081	0.5
287.07764	1.7
287.56714	0.5
305.08810	1.9
323.09854	0.6
397.13519	35.4
398.13895	2.0
415.14560	20.3
416.15039	0.6
499.14676	0.9
501.48093	0.5
521.33344	0.9
565.28265	1.1
625.27197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03438	0.5
58.00589	0.6
59.01384	16.0
69.03445	1.0
71.01001	0.7
71.01385	12.7
72.99313	0.9
73.02950	1.9
80.02679	1.1
81.03456	1.6
83.01402	1.7
83.05034	5.3
84.02180	1.2
85.02951	3.1
87.00880	2.9
89.02446	12.0
93.03468	0.9
93.16977	0.3
95.01398	1.1
95.05022	0.9
97.02949	2.0
99.00871	0.9
99.04556	0.4
101.02449	10.1
101.83994	0.3
105.55737	0.4
109.02963	0.4
111.00876	1.3
111.04528	0.5
113.02448	4.3
115.24039	0.3
119.03509	4.3
123.00876	0.4
125.02457	4.2
125.06096	0.3
125.09757	0.4
131.03461	0.6
135.04604	0.4
135.08180	0.6
139.00487	0.4
143.03503	2.1
149.04488	0.5
149.36050	0.4
151.00345	0.5
161.02473	0.9
161.04559	3.6
163.11272	4.8
165.12877	2.8
173.04614	0.4
178.99757	0.4
179.04211	0.4
179.05573	2.8
181.12338	0.5
185.04558	0.5
191.05565	1.9
191.10732	1.1
209.11832	100.0
210.12164	4.0
221.06618	0.9
227.12889	18.6
228.13219	0.5
235.08223	4.9
253.09227	3.1
263.07718	0.5
271.02365	1.9
272.03046	0.6
287.07773	0.9
288.02792	0.5
299.01981	1.8
300.02466	0.5
305.08856	1.6
316.02182	2.2
317.02896	1.1
323.09937	0.6
389.18250	0.6
397.13507	31.1
398.13702	1.7
415.14584	19.7
416.14929	1.1
445.20731	0.7
565.28613	0.8
581.15649	0.6
587.92645	0.4
607.12823	0.6
607.25977	0.6
625.13837	4.4
626.13885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
55.84573	0.3
57.03445	1.0
58.00594	0.8
59.01383	16.3
59.14550	0.3
60.57553	0.3
61.98820	1.1
65.57608	0.3
69.03463	0.9
69.36452	0.6
69.36853	1.7
70.91708	0.3
71.01390	12.5
71.04974	0.3
72.99303	1.1
73.02948	2.5
80.02673	1.4
81.03474	1.9
81.15934	0.3
83.01392	1.5
83.05027	6.0
84.02173	1.2
85.02953	3.2
87.00885	2.8
88.98824	0.4
89.02451	13.0
93.03461	1.4
95.01401	0.9
95.05046	0.6
96.96011	0.6
97.02948	2.1
97.15816	0.3
98.20737	0.3
99.00881	0.9
99.04519	0.7
101.02443	11.1
108.02164	0.3
109.02972	0.5
109.06630	0.6
111.00909	0.4
111.04527	0.4
113.02442	4.9
119.03516	4.3
125.02465	4.0
125.06128	0.6
125.09684	0.4
127.03979	0.4
127.22641	0.3
128.12961	0.3
131.03479	0.8
133.02962	0.7
135.04543	0.6
135.08162	0.7
136.86951	0.3
137.02444	0.4
141.01920	0.4
143.03502	2.3
145.41974	0.3
149.04565	0.6
152.98492	0.3
161.02440	0.9
161.04605	3.2
163.04005	0.3
163.11305	4.0
165.12863	2.6
165.18985	0.3
167.03577	0.3
173.04561	1.1
179.03519	0.4
179.03989	0.4
179.05586	2.9
181.12418	0.3
185.04521	0.3
191.05602	4.6
191.10822	1.3
199.13344	0.4
199.48242	0.3
209.11833	100.0
210.12173	3.2
221.06664	1.0
227.12889	20.3
228.13013	0.6
235.08212	4.0
247.84314	0.3
253.09238	1.6
263.07620	0.8
287.07584	0.9
300.02576	0.5
305.08838	1.3
323.09875	0.7
379.12573	0.5
397.13522	32.5
398.13864	1.4
415.14587	18.1
416.14941	0.9
463.08380	0.3
565.28741	0.5
607.25616	0.4
625.17163	0.4
625.26764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.8
59.01379	5.0
61.98856	1.0
65.00345	1.2
69.52905	3.1
71.01382	3.7
73.02955	1.0
83.01430	1.7
83.05071	0.7
85.02966	2.5
87.00880	2.5
88.98852	0.9
89.02454	4.1
91.01921	0.7
93.03456	2.8
96.96010	5.4
99.00895	0.9
99.04505	0.6
101.02447	4.1
106.73848	0.6
107.01395	3.7
108.02168	5.4
109.03001	4.5
111.00915	0.9
113.02512	1.5
118.98084	0.6
119.03516	0.8
120.99697	0.8
121.02959	2.6
122.20560	0.6
125.02461	1.2
127.04031	0.9
131.03526	0.8
133.02994	1.1
135.00865	1.0
135.04546	1.2
137.02487	0.9
145.02982	1.1
148.01703	1.5
149.04628	0.9
151.00381	13.8
151.01541	0.8
152.01167	5.6
153.01950	2.9
153.62392	0.6
155.03471	0.8
161.02467	1.4
161.04645	1.5
163.00385	2.6
163.04027	1.0
165.05585	2.6
170.78085	0.5
173.04573	2.3
175.04102	0.6
178.99884	8.3
179.03476	0.9
184.88731	0.5
185.20692	0.5
187.04045	0.7
189.01857	0.8
190.99918	0.6
191.05618	14.2
192.00638	0.5
192.06041	0.9
195.06635	0.6
199.03891	0.6
201.05566	0.9
203.03711	0.7
209.11812	10.7
211.04080	1.0
215.03525	0.6
216.04414	0.6
217.92403	0.5
226.02701	1.2
227.03503	3.0
227.12904	3.5
229.01613	0.6
229.05086	1.1
241.07240	1.0
242.75856	0.5
243.02974	10.0
244.03557	0.8
245.04570	1.5
247.20973	0.5
253.09261	1.5
254.02281	1.7
255.02986	24.1
255.08713	0.7
256.03430	1.1
271.02469	50.2
272.03040	4.5
273.04175	0.7
283.02490	1.3
299.02054	1.6
300.02750	86.9
301.03485	38.7
302.03894	2.4
322.69229	0.6
343.04419	1.1
397.13272	1.6
408.81390	0.5
415.14639	1.1
445.21280	0.7
463.08792	2.2
475.66190	0.6
625.14014	100.0
626.14490	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	621.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.1
58.00592	3.1
59.01381	100.0
71.01006	2.3
71.01385	35.7
72.99285	3.2
73.02935	6.3
79.95728	6.5
82.66558	1.4
83.01388	2.5
85.02950	12.6
87.00867	4.6
88.98808	2.5
89.02450	42.6
93.03461	3.7
95.01385	3.2
96.96012	28.0
101.02434	20.4
111.00861	2.1
113.02451	23.1
119.03513	14.7
119.04970	2.5
125.02445	1.5
130.41898	1.7
131.03462	2.8
135.04515	3.5
143.03439	3.5
149.04558	2.3
153.01945	1.4
161.02406	6.5
161.04550	10.5
163.04048	4.3
165.02144	1.5
168.00647	3.3
173.04521	4.0
179.03479	2.1
179.05614	10.8
191.05618	15.9
192.06053	1.5
261.73706	1.5
284.99750	1.6
307.08551	3.9
337.09286	2.9
351.36377	1.4
369.64957	1.4
451.12457	1.8
517.26495	52.1
518.26208	3.0
535.27612	27.2
536.27301	2.0
541.19623	7.7
551.98730	1.4
577.28613	11.1
621.18304	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	623.1619
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.46310	0.5
59.01377	4.0
65.00330	0.8
70.87637	1.4
71.01372	1.5
82.65028	0.6
82.82638	0.6
83.01411	0.6
88.98746	0.6
89.02457	1.6
93.03465	0.7
96.96047	1.3
97.02981	0.9
101.02464	1.2
107.01419	0.7
108.02200	0.8
109.02975	0.7
109.06577	3.4
113.02502	0.7
116.92857	3.0
123.04490	0.6
137.02452	0.7
145.02907	1.2
151.00359	3.6
152.01117	1.1
163.00374	1.4
163.11252	1.5
164.01227	0.6
171.04509	0.6
183.04517	1.2
191.05559	1.2
199.04015	3.9
200.04668	0.7
207.10242	7.3
211.01868	0.5
211.04028	0.9
213.98364	0.6
215.03477	1.9
225.11340	5.9
227.03525	5.2
242.02182	2.6
243.02972	22.1
244.03514	1.7
254.02106	1.3
255.02969	16.8
256.03601	0.8
257.04538	2.4
270.01624	2.8
271.02469	49.8
272.03040	4.8
285.04041	4.9
286.04828	0.9
287.05502	1.7
299.01962	46.5
300.02725	64.4
301.03119	3.7
313.03278	0.9
314.04318	29.5
315.05099	100.0
316.05356	4.9
342.03632	0.6
397.13443	2.1
415.14511	2.1
623.16156	97.8
623.25171	6.5
624.16461	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	620.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67319	0.2
53.50983	0.2
55.56241	0.2
56.15399	0.3
58.10044	0.2
61.98829	100.0
63.99261	0.3
70.35338	0.5
70.35704	0.5
78.95905	3.4
82.55799	0.3
85.05905	0.2
109.13758	0.2
129.13275	0.2
152.99602	2.1
153.99921	0.3
194.29539	0.2
201.88228	0.3
209.11932	0.6
210.12234	0.5
255.23190	1.8
256.23660	1.8
358.59399	0.2
372.35950	0.2
391.22568	0.7
392.23151	0.6
406.24167	0.3
620.36249	2.5
621.35925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67694	0.8
56.77652	0.8
61.98829	100.0
71.55816	1.1
78.95899	10.0
80.82124	0.8
89.29868	0.8
91.37222	0.8
96.96938	1.1
117.03452	1.6
129.22456	0.8
131.05023	0.8
145.02908	2.2
149.90463	0.8
152.99561	6.6
209.11803	2.6
210.12103	1.6
255.23343	5.5
256.23599	4.0
391.22394	1.3
392.22830	1.0
488.03210	1.0
602.38831	1.4
610.55487	0.9
620.37988	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	619.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80042	0.7
51.37343	0.9
61.98831	68.4
67.38220	0.7
69.16060	4.5
69.16489	4.0
78.95905	100.0
80.02653	0.9
83.04999	2.0
85.14182	0.8
96.96962	9.0
98.19854	1.7
108.28009	0.8
134.98485	1.1
150.97964	0.9
152.99585	57.4
163.11320	1.2
209.11829	26.3
227.12856	5.3
255.23288	79.5
256.23660	4.6
308.39536	0.9
363.12021	12.0
381.13345	2.0
391.22534	20.9
391.27579	1.3
392.22769	1.6
409.23572	9.3
619.36108	49.0
620.36609	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	620.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85038	0.6
61.98814	2.0
69.00945	1.7
70.87479	0.9
70.87825	1.5
71.02509	10.2
72.00906	11.0
74.02457	2.6
82.01725	5.2
83.02518	1.3
91.05519	2.8
93.03457	6.3
94.23595	0.8
97.00433	5.8
98.01221	11.7
99.02006	3.6
100.00424	0.8
101.03979	0.6
106.04243	1.4
107.05033	2.1
109.22551	0.7
111.01985	3.7
111.93894	0.6
116.04327	1.1
116.05070	12.6
117.03435	1.2
118.06640	12.1
119.05021	22.2
121.36817	0.6
128.05067	0.8
130.06638	1.5
131.05023	1.2
133.05357	3.2
134.06133	11.2
135.04494	0.8
136.07686	1.1
144.04518	1.2
145.02902	0.8
146.06114	20.8
147.04544	5.8
154.02545	1.1
157.05312	1.2
158.04942	0.6
158.06105	2.7
160.03995	1.6
160.07672	2.6
161.07185	2.9
162.05591	18.0
162.54604	0.9
163.04001	15.4
163.08743	1.8
164.07143	3.1
164.08394	0.7
165.05554	3.9
171.05617	3.1
173.07214	8.6
174.05556	2.4
176.07158	0.8
180.06659	50.7
181.07025	1.1
184.06451	1.2
185.07190	2.5
186.05627	3.3
187.05136	1.7
189.06694	39.8
190.06982	1.6
191.08264	6.7
193.10216	0.8
197.07207	0.7
199.05128	1.3
200.05881	7.7
200.07803	0.9
200.08147	0.8
201.06749	4.0
203.08252	1.7
206.04590	4.1
213.06671	0.9
218.06906	1.1
221.09583	1.3
232.11180	1.6
240.07701	0.7
247.10023	1.0
247.12404	11.5
248.10770	1.6
264.10269	2.7
266.11856	18.4
275.11948	6.9
276.10199	10.3
286.11111	1.5
291.11359	7.4
292.09756	5.1
293.12967	2.8
303.11411	1.3
304.11899	1.1
309.12424	3.3
310.10837	7.8
312.12427	6.6
325.11929	3.0
327.13483	17.5
328.11646	4.5
336.13745	1.6
337.11862	1.2
349.11639	0.9
351.13620	0.9
353.11426	0.7
365.13919	1.5
377.16483	1.0
394.14197	0.8
395.17636	14.9
411.16791	1.1
413.18713	2.2
421.15552	7.2
439.16653	6.9
455.16006	4.5
456.19116	1.6
457.17599	5.6
472.18677	4.3
473.17029	3.7
482.16782	0.9
484.18790	11.2
485.19098	1.7
500.18292	48.2
501.18594	4.8
576.25226	1.9
602.22827	16.8
602.32397	0.9
603.23621	2.7
620.23969	100.0
621.24310	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	619.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53125	0.1
57.03457	0.3
59.01377	1.3
61.98827	0.5
67.01859	0.2
68.99823	0.2
69.03480	0.2
71.01385	0.6
71.54810	0.2
71.55228	0.3
72.99283	0.2
73.02937	0.2
78.95905	2.9
79.95739	2.8
83.05012	0.2
85.02962	0.6
87.00875	0.4
87.34116	0.1
89.02431	0.7
93.03464	1.4
93.45544	0.2
94.41889	0.1
96.96015	100.0
96.96899	4.1
97.95942	0.4
98.95605	1.3
98.96408	0.4
99.00876	0.3
101.02464	0.8
101.06078	0.4
108.02144	0.2
109.02955	0.4
111.00886	0.4
111.04524	0.2
113.02451	0.3
119.03520	0.2
121.02952	0.2
123.04546	0.3
127.04022	0.5
131.07184	0.3
133.02937	0.4
135.04526	1.5
137.02457	0.4
145.02969	0.3
147.06642	1.9
149.04584	0.2
149.06099	0.2
150.03291	0.2
151.04065	0.2
152.01160	0.2
153.01909	0.2
161.02420	1.2
161.04533	0.5
163.04015	0.3
165.02042	0.2
165.05574	0.2
173.04564	1.1
173.08205	0.2
179.03522	0.9
181.05058	0.3
191.03802	0.2
191.05608	4.2
192.05925	0.4
193.04958	0.2
195.06618	0.4
196.43646	0.2
197.04601	0.2
200.34901	0.2
225.11333	0.2
233.06578	0.2
241.07147	0.5
395.09897	0.2
413.11090	0.4
498.91135	0.2
583.16931	0.6
619.19995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.5
61.98819	0.3
69.71887	0.4
69.72282	0.3
71.01363	0.4
78.95909	1.6
79.47029	0.1
79.95735	3.0
89.02444	0.4
93.03457	0.3
96.96009	100.0
96.96993	2.6
97.95943	0.3
98.95590	2.5
98.96402	0.5
99.00876	0.2
101.02448	0.3
109.02926	0.4
111.00836	0.2
113.02465	0.2
115.92052	0.3
117.34364	0.1
120.99688	0.1
123.04539	0.3
135.04514	0.1
145.03040	0.2
145.07846	0.1
147.06621	0.5
151.00354	0.2
153.01961	0.4
161.02386	0.1
161.04520	0.2
165.05553	0.2
173.04449	0.2
179.03371	0.2
179.10768	0.3
185.03789	0.7
191.05595	1.5
205.12253	0.2
291.12997	0.2
298.54504	0.1
319.03619	0.1
351.61230	0.1
397.15109	0.2
442.85663	0.1
446.08295	0.3
446.58899	0.5
600.63940	0.2
601.14972	0.2
619.24261	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	618.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94386	0.2
61.98830	100.0
63.99269	0.6
70.68252	0.6
70.68610	0.2
78.95906	4.2
80.25808	0.3
96.96996	0.4
100.14426	0.3
121.37061	0.2
152.99557	2.9
209.11882	0.7
248.10721	0.3
255.23302	3.1
256.23688	0.7
292.48895	0.3
344.45316	0.2
391.22614	0.9
394.99869	0.3
409.23676	0.6
555.39038	0.4
595.83142	0.3
618.35760	0.6
619.35950	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98835	100.0
70.32739	0.9
70.33076	0.7
78.95908	4.5
85.63200	0.4
93.14919	0.4
99.00905	0.9
113.92374	0.4
116.18420	0.4
116.86368	0.4
134.47847	0.4
152.99614	2.4
168.00607	0.4
173.20561	0.4
199.13426	1.3
207.10355	0.7
209.11899	1.4
225.11386	1.6
255.23312	6.1
256.23767	0.5
256.65274	0.4
268.56415	0.4
363.12271	0.6
391.22501	1.0
409.23483	0.8
555.39099	6.9
607.53729	0.4
619.36334	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	617.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93461	0.6
59.01385	0.6
61.98803	0.9
71.55511	0.8
78.95911	1.3
93.03453	0.6
96.96032	0.7
117.03468	21.8
119.05025	35.6
120.05341	0.8
121.02950	2.6
122.81071	0.7
123.04484	0.7
133.02988	0.8
141.01926	0.5
145.02953	50.6
146.03224	1.3
152.99660	0.8
162.03140	0.7
163.04013	26.3
164.04324	1.0
171.10283	7.2
172.40305	0.7
209.11850	4.9
227.12874	0.7
269.78986	0.7
453.30161	1.3
557.32391	0.8
581.33221	0.7
599.33655	7.9
600.34595	1.0
617.34796	100.0
618.35040	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	617.3845
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
52.23865	0.7
61.98802	0.7
74.92385	0.7
77.21175	0.7
78.95904	1.9
87.62994	0.7
93.03442	0.7
97.06593	0.9
117.03457	3.5
119.05032	53.4
120.05357	0.9
126.49376	0.9
132.05830	1.9
145.02975	4.8
146.91530	0.8
159.91637	0.9
163.04015	61.0
164.04359	1.3
171.10214	0.7
248.59033	0.7
255.23079	0.9
315.83362	0.7
453.33762	20.0
454.34433	1.2
617.38513	100.0
618.38843	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3473
Annotation	Garcinielliptone FB
Peak:m/z	Relative Intensity
53.31853	0.4
59.01360	1.4
59.45592	0.5
61.98824	1.1
64.97307	0.4
75.00897	2.3
78.95894	1.0
81.20670	0.4
83.15191	0.4
93.03423	0.6
96.96013	4.3
97.41508	0.5
98.19926	1.2
101.02464	0.5
103.00375	2.6
103.03994	1.6
110.58286	0.5
113.17358	0.5
117.03469	21.8
119.05025	34.4
120.05322	0.5
121.02944	3.2
123.04543	0.9
125.83551	0.4
133.02950	0.7
134.03734	0.5
143.66183	0.4
145.02950	56.1
146.03293	0.8
152.99518	0.6
161.06053	0.6
162.03253	0.9
163.04008	27.1
163.37753	0.4
164.04300	0.7
171.10268	0.9
191.05615	0.8
225.81134	0.4
361.56976	0.5
382.65878	0.4
453.29980	1.3
515.85498	0.5
594.04596	0.4
599.33722	9.9
600.34186	0.8
617.34784	100.0
618.35205	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	617.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43021	0.1
59.01384	1.3
61.98829	0.4
66.45653	0.1
69.17095	0.8
69.17517	0.4
71.01382	0.6
71.63935	0.1
73.02957	0.2
78.95904	1.8
79.95738	3.0
79.96518	0.1
83.05035	0.1
85.02950	0.4
87.00872	0.2
89.02446	0.4
91.91128	0.1
93.03440	0.4
95.29065	0.1
96.96012	100.0
96.96888	2.8
97.95956	0.2
98.95576	0.3
101.02441	0.4
108.02189	0.1
109.02942	0.4
111.00887	0.1
113.02438	0.3
119.03509	0.1
121.02943	0.2
122.03735	0.4
123.04539	0.9
127.03983	0.2
135.04465	0.2
137.02451	0.3
138.96800	0.1
145.02971	0.2
160.01640	0.1
161.04500	0.2
165.01929	0.3
165.05536	0.2
168.20444	0.1
173.04604	0.3
175.04054	0.1
180.04230	0.2
191.05614	1.5
192.05917	0.1
193.04974	0.2
194.61913	0.1
195.06625	0.2
209.11769	0.1
225.11360	0.5
278.45129	0.1
337.09207	0.2
361.89432	0.1
449.11057	0.2
531.21735	0.2
537.19891	0.2
581.19519	0.2
617.14612	2.0
618.15820	0.2
637.30579	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	617.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
61.98822	0.2
70.62840	0.3
70.63179	0.2
71.01353	0.2
74.32261	0.1
74.80852	0.1
75.52941	0.1
78.35581	0.1
78.95903	2.9
79.95741	3.0
85.02943	0.3
93.03457	0.4
96.96014	100.0
96.96903	4.8
97.67007	0.1
97.95949	0.4
98.95596	3.1
98.96433	0.7
99.04643	0.1
118.10200	0.1
120.64588	0.1
133.27687	0.1
150.03140	0.2
151.50330	0.1
173.04559	0.1
181.05049	0.2
191.05591	1.0
256.70508	0.1
519.21021	0.1
617.21112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.37
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90712	0.2
61.98829	100.0
69.21046	1.0
69.21470	0.8
78.95875	0.2
79.80791	0.2
98.20671	0.3
152.99596	0.2
161.09761	0.2
179.10817	0.8
197.11833	2.3
241.10771	0.2
255.23216	2.6
279.90033	0.2
281.38947	0.2
553.37433	7.1
554.38367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
59.97511	0.1
61.98818	0.2
71.01369	0.2
71.55429	0.1
78.95906	1.7
79.95737	3.0
85.02950	0.2
87.00905	0.1
93.03458	0.3
96.96014	100.0
97.95959	0.2
98.95620	0.2
101.02421	0.2
108.51319	0.1
113.02410	0.2
121.02978	0.1
137.02359	0.3
160.01656	0.2
161.04614	0.2
173.04631	0.1
175.04037	0.2
177.01909	0.2
191.05609	1.5
192.05887	0.1
193.05009	0.3
424.72244	0.1
519.17401	0.5
617.15002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50820	0.1
53.66813	0.1
54.71817	0.1
56.22451	0.1
59.01373	0.4
61.98809	0.1
65.24545	0.1
69.25364	0.3
69.25771	0.7
71.01375	0.2
78.95898	0.6
79.95742	2.6
80.15957	0.1
85.02950	0.2
89.02464	0.2
93.03465	0.5
96.96014	100.0
97.95931	0.2
99.00902	0.3
101.02445	0.3
125.37850	0.1
129.10075	0.1
135.04463	0.2
137.02357	0.1
161.02458	0.1
161.04555	0.1
177.01797	0.1
179.03566	0.2
181.05064	0.2
186.06126	0.1
189.05516	0.1
191.05595	1.3
192.05922	0.1
194.61662	0.1
312.03793	0.1
381.96524	0.1
403.75128	0.1
405.65057	0.1
417.13214	0.1
519.20648	0.9
556.49402	0.1
617.21173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	0.3
67.74007	0.2
69.21607	1.4
69.22025	0.4
78.95898	1.3
79.28233	0.2
79.95734	2.8
93.03422	0.2
96.96011	100.0
97.95947	0.3
142.41586	0.2
152.99588	0.3
191.05647	0.4
227.28143	0.2
234.76591	0.2
237.64874	0.2
271.02896	0.2
382.37378	0.2
383.51947	0.2
400.18353	0.2
446.54678	0.2
607.28931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01381	16.0
61.98817	3.1
71.01382	11.4
72.99283	0.9
73.02924	1.6
78.95901	1.7
79.95738	2.7
83.01404	0.9
85.02921	4.6
87.00877	1.8
88.98801	1.9
89.02470	7.0
93.03453	3.5
96.96012	55.8
98.95588	4.9
101.02440	7.9
108.02151	2.5
109.02986	1.5
111.04519	1.2
113.02456	4.6
119.03506	3.4
119.05019	12.0
124.95672	0.9
125.02473	1.2
137.02452	1.4
149.43086	1.0
152.01160	3.2
153.01836	1.5
161.02419	1.0
161.04570	3.0
163.04012	7.1
165.05586	1.6
173.04538	2.0
175.03964	1.8
179.05638	1.4
190.75934	0.9
191.05608	12.5
192.05928	1.1
212.06903	1.2
227.09190	2.9
250.82462	0.9
255.39209	1.0
289.07535	1.5
307.08389	1.5
329.01190	1.0
368.84503	1.1
417.24991	4.9
451.12338	2.6
579.30182	100.0
580.30414	7.6
615.17316	16.8
615.27765	64.2
616.17627	1.6
616.27972	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	615.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90940	6.0
59.01381	21.6
71.01379	34.9
73.02943	6.8
81.37248	5.6
82.53903	5.5
83.05006	6.2
89.02432	19.3
95.30827	6.3
96.96020	51.6
101.02425	19.7
105.80257	6.5
109.06572	13.9
115.07651	28.0
129.12172	6.0
138.48419	6.4
154.35399	6.6
161.04510	13.0
163.11238	16.2
171.10242	59.3
181.07149	18.5
199.09758	63.3
201.11307	17.4
207.10268	98.2
209.11827	55.7
225.11324	63.7
227.12877	17.4
242.76022	6.9
253.09285	61.9
267.20059	7.1
312.41150	6.9
426.60678	7.4
433.29532	100.0
435.18851	47.7
461.20178	45.7
462.19586	6.8
571.32147	8.3
615.27368	49.5
616.29431	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	615.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82813	0.1
71.01368	0.2
78.95908	2.9
79.95745	2.4
91.88457	0.1
96.96016	100.0
96.96903	4.8
119.03474	0.1
150.96095	0.1
173.04568	0.1
191.05670	0.5
229.72520	0.1
597.09216	0.1
605.56689	0.1
615.10229	0.2
615.20538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
61.98838	1.0
62.15806	0.3
71.01371	0.8
72.99327	0.3
74.28963	0.3
79.95734	4.7
80.96521	0.9
85.02948	0.3
87.00871	0.5
89.02484	0.3
95.95278	0.7
96.96014	76.1
98.20661	0.9
101.02438	1.3
108.81313	0.3
122.97614	0.4
138.97057	0.8
150.97083	0.8
152.98605	1.2
157.85788	0.4
180.98152	1.8
191.05580	1.3
202.24403	0.3
229.88722	0.3
241.00290	3.9
256.99826	0.4
266.65500	0.4
312.05948	0.3
419.13885	0.6
435.16800	1.0
615.23273	100.0
616.23560	8.9
616.31427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49535	1.2
57.03447	5.0
59.01104	1.8
59.01379	23.4
59.60329	1.0
67.01878	3.8
68.99815	2.6
69.03458	1.9
69.87962	1.0
71.01382	52.8
72.99308	8.7
73.02959	3.1
73.28639	1.2
75.00874	20.4
78.02552	0.9
80.96526	1.2
81.03458	1.3
82.98320	1.0
83.01379	1.5
84.02169	1.3
85.02951	32.6
87.00869	12.6
88.98775	1.2
89.02444	13.4
90.29337	0.9
91.03992	2.0
93.03461	4.2
93.44947	1.0
95.01393	7.4
96.96024	8.2
98.20615	3.2
99.00881	11.8
101.02458	5.7
103.00362	3.8
107.05015	1.2
109.02950	1.6
111.00857	1.6
112.30113	1.0
113.02447	45.2
115.00372	47.9
117.01936	3.3
121.02918	1.4
123.04533	1.8
127.04024	7.5
129.01895	2.1
131.03468	1.7
133.01430	79.0
134.03725	4.6
134.85616	1.0
135.04474	1.3
149.04585	1.5
149.06093	2.7
160.01630	3.8
161.02325	1.4
161.13351	14.7
161.34261	1.0
167.03493	1.3
173.04539	2.7
175.02438	2.9
175.04012	3.9
187.11258	3.4
191.03500	2.5
191.05583	9.3
193.05025	17.6
205.07083	2.4
205.12331	8.7
207.05029	2.2
207.10567	1.0
223.06108	2.6
225.11201	1.2
231.05029	1.4
235.06113	4.0
241.07195	7.1
249.06161	22.7
265.07098	3.9
267.07193	100.0
268.07440	1.8
271.19992	1.2
317.88101	1.1
455.19217	93.3
456.19403	6.7
481.16837	2.5
499.18210	86.7
500.18552	7.5
532.42828	1.0
547.14594	1.2
572.72626	1.1
579.17059	9.3
615.18811	5.5
615.28577	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	612.251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36359	0.2
59.01379	1.0
60.60210	0.2
61.98830	100.0
62.66302	0.2
66.58189	0.2
70.38511	0.4
70.38886	0.5
71.01386	0.6
75.00839	0.2
85.02962	0.4
86.22237	0.2
89.02445	0.5
93.03454	0.5
96.96000	1.1
98.19936	0.2
101.02470	0.3
121.02953	0.3
132.03027	0.2
135.04504	0.3
179.03444	0.3
191.05583	2.2
192.05977	0.2
193.05092	0.2
209.04785	0.2
552.26892	0.4
612.15356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90630	1.1
56.88106	1.0
59.01370	3.5
61.98806	2.1
67.72220	1.3
71.01361	3.5
71.13518	1.3
71.55538	1.6
78.95901	51.1
80.96487	1.2
82.95404	2.6
87.00897	1.6
89.02435	1.9
96.96042	6.8
96.96970	8.9
101.02423	1.7
109.06582	1.4
111.00885	1.7
135.86606	1.1
152.99583	100.0
163.11249	1.7
171.00594	2.0
171.10245	4.2
181.07298	1.1
191.05693	1.6
195.13948	7.4
197.11783	5.2
199.09741	7.0
201.11317	2.6
207.10228	9.2
209.11815	6.6
223.13426	1.2
225.01778	2.9
225.11354	5.0
227.12811	1.4
243.02713	4.9
253.09264	5.6
261.95529	1.2
277.21680	6.3
279.15759	1.3
295.22791	23.0
296.23355	1.3
317.06387	9.8
431.28030	17.8
432.28314	2.7
435.18823	6.0
449.23160	3.0
461.20258	3.1
569.31134	3.3
610.65558	1.2
613.29883	83.0
614.30060	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	611.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22240	0.3
69.34567	2.5
71.01395	0.5
76.05720	0.4
78.95911	3.5
79.95747	3.0
82.86209	0.3
93.25758	0.4
96.96017	100.0
96.96909	5.6
98.19917	0.7
99.00906	0.3
103.73060	0.3
168.35147	0.3
171.10272	0.4
225.11380	0.6
351.06134	0.7
468.04276	0.4
481.58337	0.4
611.20251	0.5
611.38092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27554	0.2
68.63226	0.3
70.87704	0.6
70.88019	0.3
78.95913	3.2
79.95737	2.7
96.96020	100.0
96.96909	5.2
179.10776	0.5
197.11919	1.3
198.12248	0.7
199.12651	0.4
274.32196	0.3
277.21814	0.5
286.47797	0.3
311.22369	0.3
351.06192	0.6
421.23697	0.3
430.18039	0.3
485.12735	0.3
509.00851	0.3
575.20361	0.3
610.36652	1.4
611.37372	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	611.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76202	0.9
57.03440	15.6
58.68850	1.2
59.01377	47.8
60.66278	1.0
61.98834	8.3
67.01881	2.0
69.92617	2.1
69.93029	3.4
71.01375	26.2
72.99294	3.4
73.02937	1.9
77.60426	1.0
81.03467	1.1
83.05032	1.4
83.88871	1.1
85.02951	8.8
87.00864	5.9
88.98801	1.6
89.02445	27.5
93.03455	16.0
95.01371	2.1
96.95999	8.1
99.00911	1.1
99.04520	17.0
101.02444	19.7
107.05020	1.1
109.02920	3.3
111.04497	4.4
113.02444	9.5
119.03490	12.9
119.04972	1.5
121.91623	1.0
124.01656	2.1
125.02444	1.9
127.03995	1.6
131.03485	1.1
133.02950	2.0
134.03711	4.2
135.04507	3.5
135.05519	1.0
136.01599	2.3
137.02480	5.7
139.03998	2.6
143.03479	2.4
144.02811	1.2
145.02954	1.7
149.04510	1.1
151.00356	2.5
151.04047	2.0
152.01027	1.2
155.03493	5.7
159.04497	2.1
161.02446	2.3
161.04553	28.5
161.05894	2.5
163.03908	1.4
166.02737	5.1
167.03506	2.3
173.04555	21.9
173.06013	2.3
175.03966	2.1
175.07755	1.0
177.01903	1.6
178.02698	1.2
179.03397	1.7
179.05597	3.6
181.05003	5.8
186.03160	1.5
187.03976	4.8
187.07626	2.3
191.05595	43.0
192.05966	1.3
193.04970	2.0
202.02658	1.2
202.06242	1.4
203.03326	2.0
205.08583	1.2
211.71199	1.1
213.09180	1.1
215.05495	2.0
217.04979	1.9
231.10193	2.7
232.07343	1.2
257.08121	2.3
265.05063	1.7
275.09116	2.9
293.04468	2.8
293.10388	5.0
300.02631	1.7
302.03339	1.9
307.05908	1.3
308.06821	2.7
317.08594	1.4
322.08582	1.4
323.09137	7.8
324.09882	1.3
335.09891	1.5
336.06415	1.2
338.11536	5.4
339.08533	1.8
341.10095	1.4
353.10107	2.7
367.11603	1.5
367.54758	1.0
368.12805	1.6
369.09424	9.5
369.13739	8.6
383.11197	1.5
384.12125	8.4
399.14447	100.0
400.14645	8.2
437.14227	1.2
449.14468	11.0
467.15616	15.6
567.20905	2.0
579.20380	1.2
593.19214	1.5
611.19049	18.9
612.19415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	36.3
59.01378	49.1
60.00613	1.4
60.99298	3.2
61.98825	9.5
67.01891	8.4
69.03447	3.4
71.01384	31.8
71.55247	2.1
72.99310	3.1
73.02947	3.8
81.03445	4.1
83.01386	3.4
83.04973	2.0
83.30376	1.4
85.02967	13.7
87.00869	14.1
88.98797	5.5
89.02444	26.1
93.03462	71.7
95.01383	4.8
96.96021	9.2
97.02927	4.1
99.00865	2.6
99.04520	49.7
101.02453	30.6
105.03483	1.6
107.05022	3.1
108.02180	4.1
109.02917	8.5
111.00856	3.5
111.04518	15.5
111.43922	1.5
113.02437	13.0
115.03944	1.5
118.91583	1.3
119.03535	11.3
119.05026	24.8
121.02952	19.8
123.04581	2.3
124.01725	1.4
125.02459	13.8
127.03983	4.8
129.01942	1.7
131.03432	2.0
133.02954	11.7
133.05066	3.5
134.03748	17.6
135.04526	28.7
136.01616	4.8
136.04816	2.9
137.02441	45.4
143.03470	6.1
151.00346	1.6
151.03964	7.0
155.03505	12.3
160.01689	2.6
161.02542	17.8
161.04550	100.0
162.02766	1.5
163.04025	12.4
172.05289	2.2
173.04538	69.2
177.01904	4.6
178.02744	12.6
179.03522	18.9
179.05539	7.1
184.32903	1.6
187.07623	8.9
189.20036	1.8
191.05603	93.4
192.05943	6.5
193.06349	1.4
197.06068	2.5
202.06268	3.6
203.10806	1.8
213.09152	3.2
215.07246	1.7
217.51260	1.3
218.18614	1.5
221.06715	7.1
227.07095	15.3
231.10100	7.8
233.06609	3.5
255.02905	1.8
257.08173	6.0
263.07590	2.7
271.02335	2.5
272.02835	2.6
273.03101	2.0
275.09274	13.3
285.12366	3.4
293.10364	12.0
300.02701	5.1
301.03311	4.0
302.03302	4.7
317.08862	2.8
323.09903	18.9
352.07837	2.0
353.08789	14.0
370.08725	2.8
413.21820	2.2
431.13467	3.6
443.11826	11.7
449.14529	38.0
450.14893	2.8
467.08859	3.7
467.15552	67.7
468.15942	3.8
506.33923	5.4
507.34402	4.1
509.16504	4.1
513.10388	1.8
514.12885	2.6
531.33569	1.6
548.22131	2.8
567.20374	2.4
574.72174	2.1
593.18817	4.3
611.15753	9.6
611.34619	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	609.258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.2
61.98830	4.6
61.99157	0.2
63.99251	0.1
69.44183	0.9
71.01392	0.6
78.95906	1.8
78.98579	0.3
79.95740	3.9
80.96519	4.4
82.95400	0.8
82.96104	0.1
85.02942	0.3
86.02464	0.1
87.00863	0.2
89.02386	0.1
93.03465	0.2
94.98087	1.1
96.96012	100.0
97.95945	0.3
101.02466	0.2
113.02419	0.2
122.97562	0.2
125.02465	0.3
134.97571	0.3
148.99185	0.4
151.00340	0.2
152.98532	0.2
152.99597	1.0
164.98654	0.7
171.10262	0.3
173.04575	0.2
187.02634	0.2
191.05589	0.5
206.99657	0.2
207.10243	0.2
208.45125	0.2
211.60674	0.1
225.00764	1.0
241.01123	0.2
246.22635	0.2
255.02971	0.3
271.02426	0.6
300.02747	1.0
301.03366	0.4
312.22577	0.2
409.10751	0.2
456.45370	0.1
609.14526	1.2
609.25598	7.5
610.15460	0.2
610.25879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03453	1.5
59.01381	10.9
60.99295	0.4
61.98829	1.2
63.02407	0.5
65.00327	1.9
67.01910	0.9
69.03463	1.1
71.01382	17.0
71.26644	0.5
72.01721	0.4
72.99295	0.7
73.02948	4.0
78.25476	0.3
79.95728	0.4
81.03458	0.6
83.01389	2.4
83.05063	0.4
85.02959	8.2
87.00874	2.1
87.04532	0.5
88.98806	0.9
89.02442	6.7
91.01865	0.4
93.03453	5.1
95.01385	1.2
96.96013	18.0
97.02935	0.5
99.00899	1.9
99.04562	0.6
101.02450	9.2
107.01383	3.9
108.02176	1.3
109.02914	1.8
111.00887	2.5
111.04530	1.1
113.02451	5.8
116.38522	0.4
117.03500	0.5
119.01395	0.4
119.03522	1.2
119.05046	0.8
120.99673	0.5
121.02967	2.2
122.99220	0.6
124.01647	0.4
125.02437	1.2
127.04012	0.9
128.76192	0.4
128.90178	0.4
129.01973	0.4
131.03520	0.9
133.02911	0.7
134.03729	0.7
135.00934	0.8
135.04543	1.8
137.02454	2.1
143.03548	0.4
145.02957	0.9
147.04535	0.3
148.01689	1.4
149.04584	1.0
150.03244	0.4
151.00369	11.9
151.03894	0.3
152.01010	0.4
155.03539	0.4
159.02988	1.2
159.04504	0.9
160.01672	0.8
161.02509	2.2
161.04562	4.5
163.00365	3.3
163.04071	1.0
164.01134	0.9
165.01952	0.4
165.05493	0.4
169.01416	0.5
173.02333	0.6
173.04599	2.4
175.04036	1.5
177.01991	0.5
178.99866	6.9
179.03488	1.0
183.04570	0.4
187.04042	0.9
190.02711	0.5
191.05608	16.8
192.05978	1.2
199.04047	0.9
201.01958	0.6
201.05664	0.7
203.03552	0.8
211.03975	1.5
211.13455	0.4
212.04893	0.4
215.03481	0.8
215.07124	0.5
219.03032	0.7
226.02710	1.6
227.03482	3.9
228.04070	0.5
229.01350	0.8
229.05128	1.0
229.08723	0.5
243.02960	11.6
244.03334	1.0
245.04538	0.8
254.02217	2.2
255.02980	29.4
256.03326	1.7
271.02469	59.5
272.02936	4.9
273.04074	1.1
283.02405	1.4
284.03201	0.5
293.04529	0.5
299.02036	1.4
300.02747	92.5
301.03464	34.7
301.08551	0.7
302.03949	1.6
312.85791	0.4
343.04590	1.3
363.12515	0.4
407.11334	1.7
417.09827	1.1
417.24942	18.7
418.25143	1.0
435.10873	4.9
461.28448	0.4
505.33795	0.6
549.29156	26.8
550.29657	2.6
591.15698	0.6
609.14697	100.0
610.15051	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	609.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12189	1.6
58.00597	1.8
59.01384	56.7
61.98533	3.1
61.98836	51.0
65.00340	1.9
67.01891	12.4
68.99471	3.4
68.99824	41.2
70.50627	5.4
71.01386	31.3
72.99303	2.4
73.02959	2.4
75.00866	2.1
85.02943	10.1
87.00857	3.6
88.98820	2.3
89.02446	31.8
93.03480	3.1
95.01397	2.9
96.96011	8.0
99.00899	2.0
101.02449	100.0
103.04008	3.1
105.03432	2.4
107.01402	2.4
109.02946	3.8
112.32172	1.6
113.02456	8.2
119.03513	10.7
119.05045	3.5
121.02967	15.3
123.04527	17.5
125.02404	2.1
127.04019	36.5
132.87039	2.3
135.04506	5.3
143.03529	2.2
145.02910	8.2
147.04535	8.6
149.02470	6.8
151.00394	6.6
161.02425	2.9
161.04536	2.3
163.03970	6.2
165.05571	2.6
173.02396	2.8
177.05536	10.7
179.03532	2.2
179.05591	8.5
191.03790	3.0
191.05579	20.0
195.06557	2.4
205.05049	19.6
207.06560	5.0
223.06104	6.4
225.07710	15.9
227.03589	3.0
228.15262	1.8
255.02969	14.9
267.08859	2.4
271.02481	2.9
283.02493	28.4
284.03217	9.5
285.04129	14.1
300.02829	4.8
300.52676	2.0
337.09219	2.4
341.31030	1.7
369.11859	8.1
379.10773	1.9
387.12994	73.6
388.13495	3.6
446.08295	2.3
447.09283	23.2
452.29199	2.0
454.58493	6.9
455.08899	1.9
517.15271	6.2
549.18304	82.1
549.25763	2.9
550.18591	4.4
608.63995	7.9
609.14471	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	609.1462
Annotation	Cyanin
Peak:m/z	Relative Intensity
54.64074	0.8
59.01374	6.7
61.98835	3.6
63.92891	0.7
65.00330	1.5
67.01910	0.8
68.99815	19.8
71.01370	5.1
71.55682	1.1
74.62086	0.7
83.01400	1.7
85.02949	2.1
87.00890	0.9
88.98804	5.5
89.02464	4.8
93.03479	2.0
96.96012	8.9
99.04529	0.7
101.02450	43.7
102.05604	0.8
105.03452	2.0
107.01395	2.3
109.57240	0.7
113.02451	1.8
115.68465	0.7
117.03464	0.9
119.03532	1.7
119.05035	2.3
121.02975	2.7
123.04535	30.7
125.02441	1.4
127.04038	1.8
127.14146	0.7
133.02910	0.7
137.02414	1.0
145.02946	1.1
146.04581	1.1
147.04517	4.8
148.73648	0.7
151.00346	5.6
152.01216	0.8
163.04018	1.1
165.01915	0.7
173.04575	1.8
177.05637	0.8
178.99844	0.9
179.05682	1.1
183.04501	2.2
191.05609	8.2
207.06630	4.6
211.03947	2.0
213.05501	1.1
221.06699	1.0
225.07686	23.5
227.03462	12.1
239.03659	0.9
243.02948	0.9
255.02989	50.2
256.03604	3.9
257.04565	0.8
269.04443	0.8
271.02573	1.8
283.02484	100.0
284.03210	25.5
285.04037	52.4
286.04291	1.8
297.04059	0.9
300.02750	3.2
301.03488	0.8
326.04135	1.5
327.05051	2.3
387.12979	3.9
411.20776	0.8
446.08545	16.0
446.58966	1.0
447.09329	93.2
448.09668	5.3
450.29370	0.8
454.08096	1.5
454.58337	5.1
455.08502	0.9
489.10379	9.8
531.11444	0.8
547.74286	0.9
549.18207	7.0
549.25739	1.2
608.64026	1.1
609.14612	49.5
610.14716	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
56.16328	1.0
57.03437	3.7
59.01380	71.6
69.03473	1.3
71.01004	1.8
71.01384	28.1
71.02493	1.2
72.00903	2.7
72.96944	1.5
72.99300	2.1
73.02942	5.0
81.03449	1.1
83.01390	4.4
85.02946	18.5
86.00059	1.2
87.00871	4.1
89.02445	9.4
93.03468	3.5
95.01382	3.5
96.96014	6.5
97.02950	1.2
99.00877	4.5
101.02439	12.1
111.00882	4.5
111.02012	7.9
113.02459	13.8
119.03508	1.5
123.08211	2.1
128.04623	1.2
133.02904	1.2
134.03752	1.5
135.04480	1.8
137.02426	1.5
138.01993	2.3
141.09299	1.2
143.03493	1.9
147.04535	7.8
149.04565	2.1
151.00366	1.2
159.03093	1.8
160.01683	1.4
161.02435	2.5
161.04515	3.6
163.08719	1.9
164.07144	14.7
169.12311	1.7
171.13824	1.9
173.04547	4.4
175.04047	1.9
179.03442	1.7
187.13380	3.1
191.05605	24.4
193.05116	2.1
203.08264	6.6
209.09857	1.4
209.11815	2.0
227.03502	1.4
269.30334	1.1
271.02371	2.0
284.83447	1.2
299.01996	5.6
341.26865	2.1
342.27054	1.2
355.18274	1.8
359.27994	9.3
399.17059	8.7
450.04517	1.8
503.32263	100.0
504.32602	5.1
521.26172	2.0
521.33325	29.4
522.33813	2.4
545.33038	1.9
547.26904	1.6
550.23737	1.3
561.29193	1.1
563.25751	1.7
563.34216	11.8
607.12817	2.1
608.23322	1.8
617.95801	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Rutine
Peak:m/z	Relative Intensity
54.44058	0.3
57.07323	0.4
58.00173	0.4
63.02395	0.5
65.00326	1.0
71.00336	0.9
76.07934	0.4
79.04375	0.4
83.01379	0.5
95.07578	0.4
107.01395	1.8
108.02174	0.7
109.02970	0.9
113.54517	0.4
121.02969	1.0
148.01682	0.8
151.00391	9.1
159.04489	0.4
160.15210	0.4
163.00409	1.3
164.01218	0.6
178.99873	5.3
193.01347	0.5
199.03908	0.5
211.04080	1.1
217.01530	0.4
226.02650	1.0
227.03519	1.6
229.05081	0.5
243.02969	6.3
244.03352	0.5
245.04533	1.0
254.02182	1.8
255.02985	18.0
256.03354	0.9
271.02478	39.9
272.02988	2.5
273.03979	1.0
283.02469	1.0
299.01923	0.6
300.02753	89.6
300.58951	0.4
301.03500	32.8
302.03885	1.5
325.34698	0.4
343.04648	0.9
585.60126	0.5
609.14587	100.0
610.14905	8.6
610.24066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38689	0.1
59.01369	0.4
59.33559	0.1
61.98832	100.0
62.98532	0.2
68.93275	0.1
69.21196	0.6
69.21622	0.8
71.01388	0.4
78.98610	0.2
79.95752	0.5
80.96519	1.9
85.02969	0.2
87.00900	0.3
87.78100	0.1
94.98092	0.7
96.96080	0.1
98.19941	0.4
101.02486	0.2
133.02971	0.2
134.03752	0.2
134.97586	0.2
148.99156	0.2
161.02473	0.6
164.98723	0.2
167.78511	0.1
191.05617	0.2
197.11662	0.2
199.13231	0.2
211.13394	0.3
220.07834	0.1
225.00798	0.5
244.22137	0.2
253.09392	0.4
259.14175	0.2
311.22305	1.8
413.27383	0.2
422.07593	0.2
424.91275	0.2
447.22528	0.3
476.72644	0.7
478.34769	0.2
525.25580	0.2
557.75653	0.3
607.24329	3.3
607.33215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24208	0.5
57.79044	0.4
59.01372	0.9
59.42369	0.5
59.93860	0.4
61.98829	5.0
69.10717	0.5
71.54861	0.6
75.25887	0.4
78.95890	1.2
79.95734	2.8
96.96011	100.0
96.97006	2.5
103.28304	0.5
111.00865	0.6
121.02975	0.6
149.54694	0.5
163.04068	0.5
191.05603	0.9
262.61108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98833	100.0
71.01401	0.8
78.95935	0.2
78.98613	0.8
79.95740	2.2
80.96516	5.7
80.96948	0.4
85.02966	0.6
87.00926	0.4
88.98830	0.8
94.98104	0.9
96.96039	0.8
98.20019	0.3
99.00948	0.3
103.92051	0.5
106.98101	0.3
122.89454	0.3
122.97623	0.6
125.02511	0.3
148.99144	0.5
152.98660	0.4
164.98674	1.0
191.05650	0.4
219.66803	0.3
225.00751	1.7
279.04016	0.3
299.04453	0.4
391.01816	0.3
476.72702	0.5
509.17288	1.0
522.63049	0.3
606.37219	0.3
607.24292	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	605.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.5
59.01382	85.5
61.00019	1.8
61.98812	6.6
62.31415	2.1
69.38464	9.6
69.38860	4.4
71.01392	27.5
72.99334	4.2
73.02937	8.4
74.26973	1.8
78.68322	1.7
83.01382	3.4
85.02962	17.4
87.00863	4.6
89.02454	10.6
89.13293	2.2
89.25542	2.0
93.03453	6.4
96.95995	9.9
99.00881	2.5
101.02451	16.4
107.69681	1.7
108.02169	2.2
111.00896	9.6
113.02459	15.3
119.03499	2.6
121.10224	2.0
125.02383	2.9
127.11275	1.7
133.02963	3.4
135.00844	2.7
135.04504	6.5
135.98326	6.5
136.35524	1.7
137.02408	3.5
141.01947	1.8
143.39310	2.0
152.01147	2.9
161.02454	8.7
161.04541	4.9
173.04532	6.2
179.03465	4.4
185.92558	2.2
191.05637	21.0
191.07211	3.4
192.05983	1.8
205.28583	1.8
243.06628	17.3
339.25443	2.6
357.26303	3.7
362.19354	4.3
448.69611	2.1
483.29269	2.7
501.30722	100.0
502.31049	5.6
506.76358	1.8
519.31818	28.8
545.27905	2.9
561.24261	2.2
561.32794	5.2
567.17267	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	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	25.2
61.98830	37.7
71.01389	16.7
71.55180	3.1
73.02965	4.2
78.95916	3.3
78.98579	3.2
79.95734	15.6
80.96519	33.1
81.03481	3.1
85.02933	6.1
89.02441	6.7
93.03439	4.6
94.98087	9.5
96.95999	6.1
97.02985	2.9
101.02434	12.9
104.47816	2.8
111.00871	8.2
111.08155	11.6
113.02457	6.8
119.03506	3.2
123.63846	2.5
127.70022	2.4
134.97562	2.8
152.98639	4.1
155.46262	2.6
161.02394	2.8
161.04500	4.3
164.98604	3.0
169.12363	6.6
173.04578	5.3
191.05658	5.7
197.11830	68.2
197.13571	5.1
199.13361	3.2
209.11781	4.5
211.13391	18.6
225.00793	9.1
227.12994	2.7
253.09245	48.0
265.58838	3.0
281.66629	2.7
291.19678	30.0
292.19940	3.5
301.96933	3.0
309.20721	100.0
310.20856	4.1
461.28879	4.0
520.91382	3.2
561.34564	6.0
605.22827	53.7
605.32263	4.2
606.22784	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	605.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.5
61.98828	61.3
69.21086	37.3
71.01376	17.8
85.02910	4.9
87.00863	6.0
89.02442	6.4
92.95518	3.9
96.95975	7.9
97.02927	6.1
98.19894	6.4
101.02440	12.6
103.75958	3.5
111.00915	20.4
111.08151	13.1
113.02448	7.8
133.03015	4.7
173.08513	3.7
174.31598	3.8
191.05615	10.9
197.11819	57.0
209.11734	7.2
211.13382	14.6
253.09270	49.0
291.19714	29.0
309.20682	100.0
310.20892	5.9
348.96393	4.6
525.26086	8.7
545.29633	4.4
605.33374	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.5
59.01382	85.5
61.00019	1.8
61.98812	6.6
62.31415	2.1
69.38464	9.6
69.38860	4.4
71.01392	27.5
72.99334	4.2
73.02937	8.4
74.26973	1.8
78.68322	1.7
83.01382	3.4
85.02962	17.4
87.00863	4.6
89.02454	10.6
89.13293	2.2
89.25542	2.0
93.03453	6.4
96.95995	9.9
99.00881	2.5
101.02451	16.4
107.69681	1.7
108.02169	2.2
111.00896	9.6
113.02459	15.3
119.03499	2.6
121.10224	2.0
125.02383	2.9
127.11275	1.7
133.02963	3.4
135.00844	2.7
135.04504	6.5
135.98326	6.5
136.35524	1.7
137.02408	3.5
141.01947	1.8
143.39310	2.0
152.01147	2.9
161.02454	8.7
161.04541	4.9
173.04532	6.2
179.03465	4.4
185.92558	2.2
191.05637	21.0
191.07211	3.4
192.05983	1.8
205.28583	1.8
243.06628	17.3
339.25443	2.6
357.26303	3.7
362.19354	4.3
448.69611	2.1
483.29269	2.7
501.30722	100.0
502.31049	5.6
506.76358	1.8
519.31818	28.8
545.27905	2.9
561.24261	2.2
561.32794	5.2
567.17267	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	605.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
61.98835	0.4
68.99831	0.3
69.32478	1.6
71.01379	0.7
72.99313	0.3
73.02934	0.2
78.95905	1.4
79.95738	2.8
85.02944	0.6
85.06578	0.5
87.00863	0.4
87.37381	0.2
89.02459	0.4
93.03461	1.6
96.96012	100.0
97.14365	0.2
99.00874	0.3
101.02464	0.4
107.05010	0.4
108.02177	0.2
109.02940	0.6
111.00885	0.5
113.02498	0.2
113.06109	0.9
115.11337	0.2
119.05047	0.6
121.02888	0.2
123.67227	0.2
131.07140	5.0
133.02953	0.3
134.03732	0.2
135.04526	0.9
137.02435	1.4
147.04524	0.2
149.04440	0.2
152.01149	0.5
153.01929	0.3
161.02444	0.7
161.65392	0.2
163.04012	0.6
173.00885	0.2
173.04649	0.2
173.08194	2.5
178.29810	0.2
179.03534	0.6
191.05576	2.7
191.07115	0.3
192.05939	0.3
193.05043	0.3
201.11320	0.2
207.02974	1.2
239.05608	0.5
289.39917	0.2
308.13043	0.2
415.89059	0.2
463.12640	0.8
472.01517	0.2
507.11490	0.5
513.50317	0.2
525.19885	0.5
589.30896	0.2
605.15649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50778	0.6
59.01149	2.0
59.01477	9.1
68.34182	0.6
69.03571	0.8
69.24857	2.0
69.25277	3.9
71.01064	1.3
71.01498	4.3
73.03030	1.0
74.81207	0.6
79.95820	1.5
81.03556	1.3
83.01468	0.7
85.03091	3.7
87.00964	1.0
89.02551	1.4
93.03593	2.0
95.01493	1.6
96.95117	1.3
96.95470	3.4
96.96156	32.8
97.68335	0.6
98.20605	1.2
101.02594	2.7
108.01128	1.2
108.01527	3.1
108.02328	38.0
109.02284	3.0
109.03104	40.7
111.01033	5.3
113.02612	2.2
121.03101	1.8
123.01008	1.5
123.04616	1.5
131.05339	0.6
133.03030	0.7
135.04643	1.1
135.88373	0.6
149.20877	0.6
151.04195	2.2
152.01152	57.7
153.01945	29.0
154.02390	0.7
161.04736	1.7
163.04160	1.7
165.01962	1.3
173.01070	0.8
173.04799	0.9
191.05638	6.3
195.03058	0.8
220.79341	0.7
224.29410	0.6
225.04118	1.4
227.12909	6.2
296.40860	0.7
297.06161	1.4
315.07193	8.7
317.95868	0.7
353.49304	0.7
357.08185	1.0
403.25848	0.7
411.15439	0.6
451.12891	1.1
525.19714	100.0
526.20313	6.2
545.26099	1.3
561.16302	4.7
605.15350	52.6
606.15741	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	603.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	33.7
61.98591	0.5
61.98834	6.1
68.99554	1.5
71.01378	1.3
71.55958	0.5
78.20824	0.5
78.95897	1.0
80.02641	0.9
81.03458	0.8
83.05009	3.2
84.02152	0.5
85.02922	0.7
91.09369	0.5
93.03462	0.7
96.96011	13.6
96.96947	0.8
97.06673	0.4
98.95572	0.6
110.52580	0.5
111.00846	0.9
112.98537	2.0
125.09727	1.0
135.04636	0.5
135.08180	1.0
144.30098	0.5
163.11261	1.7
165.12813	2.1
171.10280	6.4
172.10464	0.5
191.05583	1.7
191.10783	1.2
209.11815	100.0
210.12125	3.5
227.12880	10.9
247.13387	1.6
289.18167	0.6
295.22861	0.9
307.19162	1.2
333.96716	0.6
375.21661	0.6
401.23322	0.6
403.80438	0.5
449.25620	1.1
456.82501	0.5
470.11749	0.5
475.27127	1.0
493.28079	1.8
511.29263	0.9
603.33197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41927	0.3
61.98831	100.0
71.53920	0.4
93.86430	0.3
96.96017	0.7
103.26418	0.4
191.05611	0.5
191.40469	0.4
238.05350	0.4
250.29059	0.3
253.87376	0.4
283.20419	0.4
289.48764	0.4
292.53799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24102	0.9
59.01379	3.1
60.99305	10.4
70.85976	2.0
70.86310	1.3
87.00877	6.0
88.00395	6.0
88.01232	1.2
88.98368	0.7
88.98803	75.0
89.02444	100.0
120.75883	0.9
131.86298	1.1
135.67049	0.9
142.32927	1.1
148.91019	1.5
247.69746	0.9
277.21793	1.7
324.97858	1.6
401.64679	1.0
603.20105	2.9
604.19159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29691	0.6
52.02027	0.5
55.13210	0.6
56.74145	0.5
59.01381	1.9
60.99311	14.7
61.98839	1.0
78.95926	1.1
87.00894	2.5
88.00398	5.1
88.98815	100.0
89.02450	45.0
96.96011	2.8
125.08096	0.6
148.90991	0.9
152.99637	0.7
171.10164	0.9
183.23880	0.6
207.32365	0.6
223.60072	0.6
224.59729	0.6
229.59512	0.7
277.21762	0.9
282.55167	0.6
331.21176	0.6
495.26572	0.7
603.26654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28545	0.1
55.59579	0.1
57.03447	0.2
59.01380	0.9
61.98829	0.5
69.03465	0.2
69.47796	0.9
71.01366	0.7
73.02934	0.2
78.95910	1.6
79.05524	0.1
79.95744	2.9
85.02476	0.2
85.02953	1.0
87.00881	0.4
89.02451	0.5
93.03472	0.9
96.96016	100.0
96.96892	2.5
97.95965	0.2
98.95622	0.6
99.00864	0.2
101.02438	0.6
109.02970	0.2
111.00888	0.6
111.04510	0.3
113.02452	0.2
119.03513	0.2
120.99703	0.2
121.02995	0.2
122.69816	0.1
125.02486	0.2
127.04050	0.2
133.02956	0.2
134.03738	0.2
135.04527	0.4
137.02415	0.3
147.06653	0.3
149.04523	0.4
159.48521	0.1
161.02441	0.6
161.04610	0.2
163.03929	0.2
165.05531	0.2
173.04556	1.0
179.03500	0.4
191.05609	5.1
192.05954	0.5
272.65329	0.2
433.00208	0.1
439.60419	0.2
495.51770	0.2
543.24390	0.3
603.17090	0.2
603.26038	0.6
604.19104	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64428	1.2
52.29366	1.4
55.70598	1.5
56.16981	1.7
57.03446	3.8
59.01109	2.0
59.01380	35.6
61.98816	4.9
67.01882	1.5
69.20831	3.7
69.21247	8.8
71.01378	15.9
72.99329	1.5
73.02939	3.1
75.00869	3.5
78.95894	2.2
81.03450	3.1
83.01379	4.3
85.02946	7.1
87.00868	5.9
87.91849	1.3
88.02015	1.3
89.02462	8.3
95.05013	1.4
96.96013	20.7
96.96964	3.4
97.02938	2.1
97.06573	5.9
97.39587	1.3
99.00832	1.6
101.02443	13.2
111.00877	29.0
113.02445	5.0
119.03507	2.3
121.06449	1.2
123.04501	4.9
123.08141	2.3
123.70103	1.3
125.09730	8.7
137.09691	4.1
161.04597	3.0
163.11327	8.2
165.12796	2.6
171.10316	1.6
173.01007	1.7
179.05641	1.9
183.78423	1.6
185.11803	6.7
186.75380	1.4
191.05537	2.7
191.14421	12.3
207.10228	4.3
209.11818	21.7
211.13293	2.4
215.23871	1.6
217.16005	1.4
225.11264	4.4
237.11278	4.8
245.19055	19.1
246.51462	1.4
253.09273	43.8
254.09636	1.9
263.20038	4.2
271.17053	3.3
289.18100	96.0
290.18405	4.8
307.19162	100.0
308.19418	3.8
543.28003	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	602.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.34287	0.2
70.86365	0.5
70.86737	0.4
87.95392	0.2
146.93486	0.2
202.89749	0.2
244.53848	0.3
274.11981	0.2
366.36453	0.2
549.30255	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01381	9.1
61.98820	1.0
69.03458	0.5
69.33613	2.6
70.78027	0.4
71.01379	4.7
72.99326	0.8
79.95737	18.1
80.96525	0.9
82.95408	0.9
83.01387	0.7
85.02951	1.9
87.00877	1.1
89.02442	4.4
91.80171	0.4
93.03461	1.5
95.01402	0.4
95.95236	15.6
96.96013	73.2
97.53990	0.4
98.20604	0.7
99.00891	0.4
101.02436	3.8
108.02170	0.7
109.02938	2.8
110.97575	4.5
111.00880	1.0
111.04520	0.5
112.28363	0.3
113.02460	2.0
119.03526	1.0
119.05019	0.4
121.02966	0.8
122.03745	0.8
123.04496	0.3
130.26913	0.3
135.04514	0.5
136.99136	0.6
138.97089	1.1
141.95758	0.5
143.03517	0.5
149.04605	0.5
149.99921	0.4
151.00699	3.8
152.01140	1.5
153.01950	2.2
161.02417	0.8
161.04561	0.8
163.03984	0.4
165.05522	0.5
167.00227	0.4
173.04568	1.2
191.03819	0.3
191.05614	7.7
192.05969	0.7
193.08601	0.4
245.01216	0.3
270.18051	0.3
273.04419	1.5
287.05954	8.4
305.07022	0.9
313.10901	0.4
328.13110	1.5
329.05542	4.5
343.15436	2.8
375.07480	0.5
423.11096	0.5
441.12488	0.6
449.11252	0.8
465.10797	0.6
523.18213	1.9
588.15320	0.6
603.17529	100.0
604.17810	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	601.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32194	0.2
59.01382	1.5
61.98833	0.9
69.31259	0.4
69.31660	1.6
71.01378	0.8
73.02967	0.3
78.95914	1.1
79.95740	3.5
80.07157	0.2
80.96543	0.2
81.95332	0.2
85.02958	0.9
87.00877	0.5
88.98801	0.3
89.02454	0.5
93.03463	0.7
96.96019	100.0
96.96897	2.6
98.95602	1.4
98.96478	0.3
101.02451	0.6
109.02979	0.7
111.00868	0.3
113.02451	0.3
125.02494	0.3
127.03983	0.2
133.02977	0.5
134.03777	0.3
135.04575	1.3
135.34056	0.2
145.02959	0.3
147.06650	0.6
149.04482	0.2
150.03365	0.2
151.00333	0.3
151.03905	0.2
152.01138	0.2
153.01953	0.7
161.02473	1.0
161.04582	0.4
173.04559	0.6
177.01910	0.2
177.05511	0.4
179.03496	1.1
191.05626	3.7
192.05971	0.2
205.05112	0.3
226.41806	0.2
241.05049	0.2
270.73734	0.2
275.45117	0.2
335.89951	0.2
371.11789	0.3
557.21173	0.3
565.15515	2.1
566.16016	0.2
601.14264	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	601.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98825	0.3
67.01897	0.2
69.43381	0.3
69.43804	0.6
71.01379	0.5
78.95905	0.9
79.95735	2.5
80.96561	0.1
85.02954	0.5
93.03448	1.1
96.96011	100.0
97.95966	0.1
98.00702	0.1
98.95585	0.2
101.02444	0.4
108.02184	0.3
108.38902	0.1
109.02945	0.5
110.99280	0.1
111.00883	0.3
111.04523	0.3
113.02441	0.2
115.71593	0.1
121.03056	0.2
122.06064	0.1
127.04079	0.3
133.02937	0.8
134.03725	0.4
135.04532	2.9
137.02461	0.7
147.04445	0.1
147.06607	0.6
152.01172	0.3
154.09767	0.2
155.03516	0.4
161.02455	2.2
161.04509	0.2
173.04535	4.2
173.20853	0.1
175.03987	0.1
178.02875	0.1
179.03505	2.2
191.05605	3.0
192.06030	0.2
229.60855	0.1
233.06648	2.3
261.52649	0.1
289.50858	0.1
335.07779	0.1
353.08835	0.8
395.09808	3.0
396.10559	0.3
441.87439	0.1
491.22781	0.1
528.16608	0.1
532.67352	0.1
551.13074	0.1
565.15558	3.1
565.24097	0.2
566.16107	0.3
601.21216	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88329	1.0
56.35364	1.3
69.47940	8.5
71.01381	100.0
77.89102	1.1
93.03465	1.2
98.19884	1.5
101.02395	1.3
111.04527	4.9
127.03975	1.5
135.04512	1.4
146.34923	1.1
153.05566	10.2
163.49017	1.0
179.07051	1.4
181.34312	1.2
197.08186	82.5
198.08411	1.1
244.84323	1.3
526.07556	1.4
565.17426	2.7
580.00647	1.2
601.15228	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68480	0.1
55.74812	0.2
57.03468	0.2
59.01379	1.2
61.98829	0.5
67.01887	0.3
68.99794	0.2
71.01386	0.6
71.56129	0.1
71.56507	0.2
73.02943	0.3
78.95920	1.3
79.95748	2.7
85.02959	0.9
87.00905	0.2
88.98811	0.2
89.02467	0.3
90.77469	0.2
92.89410	0.1
93.03461	1.3
94.98112	0.2
96.96017	100.0
97.02936	0.2
98.95621	0.3
101.02448	1.2
107.05060	0.4
109.02969	0.4
111.00887	0.3
111.04629	0.2
113.02506	0.2
119.03477	0.2
119.05048	0.5
121.02956	0.2
121.18413	0.2
127.04040	1.0
133.02971	0.3
135.04512	0.4
135.08127	0.2
137.02458	1.5
139.04047	0.3
145.03020	0.2
151.04004	0.2
153.09216	0.5
161.02435	0.4
161.04597	0.3
163.04045	0.2
165.05630	0.2
173.04570	0.7
179.10718	0.2
185.08064	0.2
191.03705	0.3
191.05618	5.5
192.05904	0.3
197.08136	0.2
215.07231	0.2
241.07187	0.3
399.14908	1.4
399.64752	0.3
515.20782	0.2
557.20294	0.2
569.18616	0.2
601.21582	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00741	7.9
71.01387	100.0
73.71655	4.8
74.54907	3.4
86.28944	4.1
111.04483	4.3
134.41484	3.7
153.05586	10.1
163.73230	4.5
172.00139	4.6
197.08221	95.2
424.64697	4.4
519.62958	4.7
534.23218	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	600.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
68.43665	0.9
81.22847	1.1
98.19884	2.9
189.21214	1.0
329.89072	1.1
464.57785	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	24.9
67.01905	5.5
68.99816	12.5
69.61372	20.8
69.90236	3.4
71.01382	100.0
71.01774	4.8
75.00873	3.7
85.02946	10.2
87.00848	3.3
89.02444	30.0
95.01390	4.0
96.95997	5.2
97.46943	3.8
98.20618	6.5
101.02450	32.8
109.02938	10.8
113.02474	17.5
119.03489	9.7
119.51089	4.2
121.02966	10.9
127.04004	41.0
128.36006	3.3
135.04465	3.4
149.02458	3.7
153.05562	9.2
161.02473	3.9
161.04524	8.7
177.05640	4.7
179.05595	10.3
180.30589	2.9
191.03477	9.8
191.05469	7.4
193.04999	5.5
197.04472	4.1
197.08185	62.8
209.04530	6.6
223.06033	7.2
241.07126	56.8
364.90204	3.8
403.12366	41.3
533.15460	4.9
565.17664	83.5
566.18237	5.0
601.15405	79.9
602.16388	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	599.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
61.98814	0.9
67.01910	0.2
70.11729	0.5
70.12116	0.6
70.59580	0.2
71.01379	0.7
73.02934	0.2
78.95884	0.7
79.95732	2.8
80.96519	0.3
81.03490	0.2
85.02943	1.4
87.00872	0.5
87.91135	0.2
89.02431	0.4
93.03459	1.6
94.98076	0.4
96.96008	100.0
97.95924	0.5
99.00887	0.2
101.02414	0.7
103.00377	0.5
108.02163	0.3
111.00910	0.3
111.04540	0.3
113.02462	0.4
117.03493	0.3
120.99680	0.3
127.03993	0.4
132.02168	0.3
133.02983	0.7
135.04515	0.2
137.02405	0.5
145.03003	0.5
146.56329	0.3
151.00308	0.4
160.01663	0.3
161.02451	3.0
173.04504	0.7
175.06107	0.3
175.97229	0.3
179.03476	0.3
182.89174	0.2
191.05597	10.0
192.05936	0.4
256.99652	1.4
299.00757	0.4
351.02063	0.2
407.13467	2.6
513.20038	4.6
513.26996	0.3
514.20361	0.5
555.21014	2.6
563.21259	0.5
581.22260	0.3
599.20007	6.3
600.21045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09783	0.1
57.03450	0.2
57.51399	0.1
59.01366	0.5
61.98830	0.8
64.06935	0.1
71.01381	0.4
71.55672	0.2
73.02963	0.1
75.00890	0.2
75.09142	0.1
76.83628	0.1
78.95906	1.3
79.95737	2.5
85.02950	0.3
87.00916	0.1
89.02464	0.2
93.03461	0.4
96.96014	100.0
97.95975	0.2
99.04619	0.1
101.02478	0.2
101.66907	0.1
104.92049	0.1
109.02943	0.1
135.04532	0.8
137.06094	0.1
161.02423	0.2
161.04533	0.2
173.04599	0.3
179.03528	0.7
191.05640	1.6
192.05841	0.1
353.08649	0.2
436.12875	0.1
513.19849	0.2
599.19348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
64.05772	1.5
70.86605	2.0
70.86922	2.0
88.49975	1.0
98.08675	1.2
170.05873	1.1
180.25992	1.0
197.93864	1.3
202.81509	1.1
249.85109	1.1
550.28015	1.3
570.13495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3045
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
50.22703	0.3
50.46906	0.3
51.61042	0.3
59.01384	0.4
61.00537	0.3
68.99592	0.4
71.54716	0.4
72.87424	0.3
78.95901	52.1
87.99292	0.3
96.96957	7.4
112.98586	0.3
115.44136	0.3
150.98015	1.6
152.99580	100.0
153.99907	1.1
171.00661	3.1
225.01682	4.2
243.02705	6.3
279.23257	19.0
280.23590	1.1
317.06387	11.4
335.07532	0.7
335.74850	0.3
433.23553	2.7
441.32196	0.4
490.08447	0.4
597.30420	58.5
598.30646	4.0
601.96790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01379	2.6
61.98841	2.8
66.41499	0.3
67.01893	0.4
69.03465	0.4
71.01385	1.5
71.56221	0.3
71.56634	0.4
72.99300	0.3
73.02932	0.7
75.00873	0.6
79.95741	0.7
81.03461	10.3
82.19535	0.3
83.05029	36.0
85.02959	2.0
87.00868	1.0
87.61565	0.3
88.98804	0.4
89.02444	1.1
93.03458	2.2
95.01402	0.3
96.96019	11.3
97.02956	0.3
98.95610	0.7
99.00876	0.5
99.04535	0.7
99.92615	0.4
100.07694	5.0
101.02461	1.4
103.00339	0.3
106.49848	0.3
109.02934	0.5
111.00886	0.6
111.04526	0.7
113.02444	0.9
114.02632	0.3
116.92875	5.9
117.03438	0.4
119.04989	0.3
120.99654	0.7
121.02932	0.4
125.02425	0.5
125.07230	0.3
126.05597	0.8
127.04004	0.6
132.02101	0.4
133.03014	0.6
135.04529	1.2
137.02434	0.9
145.05080	0.5
149.06058	0.4
155.03442	0.4
161.02460	2.2
161.04495	0.6
173.04573	2.7
175.03914	0.4
179.03482	1.0
182.15526	0.5
191.05621	9.6
191.07361	0.5
192.05937	0.9
199.18158	6.8
207.02856	0.3
209.11870	0.3
224.17656	0.5
225.16087	7.5
225.18329	0.4
226.16444	0.4
228.03801	0.4
238.29243	0.3
241.00229	0.4
243.17131	18.7
255.02980	0.9
256.03372	0.7
256.99707	0.7
264.84219	0.3
269.14981	1.2
284.03265	1.2
285.03900	3.0
285.06903	0.5
286.04431	1.8
288.51346	0.3
309.21732	0.8
353.20828	6.9
354.21100	0.3
355.98740	0.3
386.11578	0.3
405.15311	0.5
447.57266	0.3
451.32956	2.2
469.33960	14.3
470.34195	0.9
486.24323	0.5
490.10620	3.1
497.13373	0.3
511.18503	2.2
553.19684	1.2
553.39490	0.5
572.73395	0.4
579.37823	3.4
597.18372	2.5
597.38702	100.0
598.17377	0.3
598.38892	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	599.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.0
61.73207	0.4
61.98827	4.3
69.03481	0.3
70.87325	0.6
71.01392	2.7
72.99300	0.4
73.02927	0.5
75.00866	0.4
79.95742	13.0
80.96525	1.6
83.01382	0.4
83.05028	0.4
85.02955	2.1
87.00856	0.9
88.98801	0.6
89.02445	0.9
93.03464	1.4
94.98098	0.7
95.95245	3.4
96.96015	100.0
99.00874	0.7
101.01859	0.3
101.02457	1.8
103.00371	0.6
110.97571	1.0
111.00866	0.7
111.04485	0.4
113.02446	0.6
119.03477	0.5
122.97590	0.6
129.01924	1.0
135.04504	0.7
137.02440	1.2
138.97075	1.3
150.97046	2.1
152.98592	1.4
159.78151	0.3
161.02509	0.4
167.03613	0.3
168.98067	0.4
173.04556	0.6
174.52710	0.3
177.04073	2.6
179.03481	0.5
180.98120	1.7
191.05598	4.2
192.06001	0.4
198.99208	0.8
199.05309	0.3
241.00235	2.5
250.70470	0.3
256.99728	16.7
259.01221	1.1
268.07263	0.3
286.15659	0.3
323.45047	0.3
513.20129	4.4
525.10767	0.5
553.09937	1.1
554.10260	0.6
555.20880	2.0
563.20770	0.4
581.21649	0.4
584.10822	0.4
598.38977	0.6
599.14209	75.8
600.14551	5.9
613.25726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31706	0.6
57.03452	32.8
59.01109	0.8
59.01384	14.1
61.98824	1.4
67.01878	0.6
69.25786	0.6
69.26109	4.9
71.01386	3.0
73.02939	1.6
75.00871	0.6
79.95758	3.0
80.96497	0.6
83.01414	0.5
85.02948	2.0
87.00875	0.8
88.98805	0.6
89.02444	1.0
93.03471	2.5
95.01394	0.6
96.96014	59.2
99.04523	39.0
101.02449	15.8
106.76404	0.5
111.00855	0.8
113.02454	1.6
125.02448	1.4
135.04549	1.0
137.02477	0.8
143.03535	0.8
151.00314	1.5
161.02388	1.0
161.04558	32.3
165.05579	0.5
173.04550	1.9
177.01938	0.5
178.99837	2.0
187.03824	0.6
191.05623	7.4
192.05960	0.8
200.04784	0.6
255.03127	0.6
256.99472	0.6
284.03415	1.0
285.04019	0.8
371.11398	0.6
397.09256	1.2
435.16428	0.5
453.18097	8.9
472.09470	0.5
511.18610	0.8
559.14557	2.2
561.29388	0.8
579.19434	0.6
597.22198	100.0
598.22565	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	597.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03444	1.8
58.00583	2.3
59.01378	51.4
61.98833	12.4
66.44936	0.9
66.71264	0.8
67.01867	0.9
67.27113	0.8
68.99818	1.2
69.39424	4.0
69.39840	2.7
71.01382	37.3
72.99291	2.2
73.02955	2.7
75.00885	2.5
79.95743	3.0
80.96533	1.0
83.01411	1.5
85.02950	7.2
87.00872	3.7
89.02449	32.9
89.03007	1.6
93.03465	2.1
95.01386	2.0
96.96010	27.3
98.95603	1.5
99.00858	1.4
101.02441	20.6
103.00391	1.7
108.02192	2.4
109.02950	2.6
111.00885	1.3
113.02451	12.9
115.00395	4.2
119.03510	12.3
119.04979	1.4
121.02987	1.7
121.06531	0.9
123.00897	1.5
123.04515	1.8
124.01650	3.3
125.02464	1.3
127.03996	2.9
131.03471	1.9
131.05019	3.2
133.01433	8.7
135.04547	1.1
136.01665	12.9
137.02432	1.1
139.04022	6.6
143.03487	2.4
145.02928	1.5
149.04492	2.0
149.06100	1.6
151.00394	4.1
151.04002	13.2
152.01172	4.1
153.01961	1.5
159.04521	2.2
160.01616	0.9
161.02429	2.7
161.04515	1.9
163.04060	1.2
164.98619	1.2
166.02710	8.4
167.03517	4.0
173.04736	1.0
175.03992	2.7
178.02679	1.4
178.54781	1.0
179.05591	4.0
181.05074	11.5
187.03987	5.2
189.05594	1.3
191.03860	1.4
191.05624	10.1
193.05051	4.2
202.02742	1.4
203.03485	2.0
211.06151	1.9
217.05141	1.9
231.06564	1.0
231.69919	0.9
232.07391	0.9
233.08337	1.3
241.00188	1.2
241.07169	3.2
265.05057	1.3
281.04498	1.1
293.04526	3.2
307.05914	1.6
308.06851	2.5
309.07574	1.2
322.08487	1.1
323.09177	4.5
338.07986	1.2
338.11612	2.8
339.08719	1.9
341.10229	2.0
353.10260	4.0
355.11765	1.2
367.11798	1.4
368.12665	1.5
369.09720	12.1
369.13544	3.7
383.11368	3.3
384.12057	9.9
385.12344	1.3
387.14368	4.7
399.14465	100.0
400.14941	5.9
417.15414	1.2
511.18515	18.5
512.18713	1.3
536.28101	1.4
537.25842	6.7
553.19788	7.0
579.17139	1.0
597.18500	18.2
598.18188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
58.00588	1.1
59.01383	24.5
61.98823	3.2
65.83981	0.6
70.56374	1.6
70.56734	1.4
71.01385	30.2
72.99271	0.7
73.02950	6.3
80.09106	0.7
83.01394	3.6
85.02953	5.4
87.00878	2.9
88.04047	35.6
89.02450	20.9
93.03447	0.7
94.17080	0.6
96.96004	2.8
97.02943	1.1
97.52491	0.7
99.00897	5.0
101.02449	15.3
103.04002	1.2
108.02183	0.7
113.02435	4.3
114.01958	1.9
115.00383	13.5
115.20119	0.7
119.03502	2.1
121.02954	1.1
125.02449	2.8
127.04039	0.8
128.05042	0.8
130.06636	15.4
131.03514	4.3
132.03038	28.8
137.02455	0.8
143.03502	1.5
146.06122	1.8
147.38214	0.6
149.02509	0.8
149.04567	8.2
149.09746	3.7
150.03223	1.8
151.00333	0.9
153.09204	1.5
156.04498	2.1
161.04539	1.4
163.06090	1.0
165.05574	2.1
167.10754	5.1
173.07207	55.9
174.07533	1.8
175.06171	0.9
181.05061	0.8
188.51572	0.8
191.05591	5.2
195.06601	1.0
198.47105	0.6
200.07188	0.7
201.10425	1.3
218.32671	0.7
233.06734	0.8
243.07742	1.2
243.15858	0.7
245.09398	2.0
247.08301	0.8
292.11914	2.6
335.12430	2.1
374.56116	0.7
399.14401	0.7
435.09311	1.1
481.18262	9.7
482.16718	14.7
483.17221	0.9
511.18301	1.0
537.25543	40.1
538.26117	3.1
553.20160	1.3
579.18030	3.0
597.19379	100.0
598.19678	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	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.35359	0.4
55.66188	0.4
57.36164	0.4
67.14960	0.5
71.55466	0.7
71.55846	0.4
74.30469	0.4
78.95903	62.1
83.05016	0.7
96.96964	10.7
105.29980	0.5
150.98019	1.0
152.99582	86.1
157.94157	0.6
171.00664	2.4
184.26891	0.5
198.57674	0.5
207.29439	0.5
209.11816	4.3
211.13443	0.6
223.00095	9.9
241.01176	23.3
259.02209	1.4
261.21997	0.6
279.23267	59.3
280.23645	2.8
300.97983	0.5
311.22299	1.4
315.04871	13.0
333.05917	1.0
530.80615	0.6
595.28857	100.0
596.29041	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	595.289
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
57.39577	0.3
58.60209	0.3
59.01391	0.5
61.98867	0.4
64.51557	0.4
69.35699	2.8
78.95909	50.4
83.14252	0.3
96.96027	0.6
96.96964	7.7
100.87933	0.3
142.23573	0.4
150.98030	1.5
152.99597	100.0
153.99870	0.5
171.00647	2.5
174.97920	0.4
204.69867	0.3
225.01723	4.0
226.50304	0.4
243.02774	6.4
277.21725	15.0
278.22043	0.5
286.27908	0.4
311.22156	0.5
317.06406	10.5
335.07559	0.5
431.22134	2.9
572.68201	0.4
595.28857	54.0
596.29181	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	595.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
74.77758	0.3
78.95903	54.2
96.96003	0.8
96.96963	7.9
102.50323	0.4
148.20660	0.3
150.97986	1.4
152.99583	100.0
153.99890	1.1
158.92212	0.3
171.00670	2.8
225.01685	4.4
229.51376	0.3
243.02715	6.8
261.03815	0.6
277.21729	13.3
278.22018	1.0
317.06412	12.5
431.21933	2.7
545.15381	0.3
595.28864	54.0
596.29102	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	595.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25966	0.3
59.01379	6.4
60.99310	14.6
61.98832	0.9
71.01392	4.6
71.55582	0.6
72.99292	0.5
73.02940	1.0
79.95725	0.4
83.01413	0.7
85.02952	1.8
87.00893	1.4
88.00416	1.2
88.98812	100.0
89.02451	9.3
93.03471	2.6
95.01394	0.4
96.96014	3.4
97.02962	0.4
99.00925	0.7
99.04520	0.6
101.02449	3.5
109.02946	0.4
110.88297	0.3
111.04509	0.4
111.85020	0.3
113.02441	2.0
119.03498	2.0
119.05036	0.5
120.99722	0.7
131.03535	0.7
133.02979	0.5
133.05077	0.5
135.04549	0.8
137.02443	0.8
137.06107	0.4
145.02916	0.7
149.02478	0.4
149.04518	0.4
151.00331	0.4
152.01161	0.5
161.02466	1.3
161.04578	1.5
163.04041	0.7
173.04556	1.2
174.22141	0.4
179.03477	0.4
179.04213	0.4
179.05609	2.6
181.05075	0.7
191.05621	6.6
191.07155	0.6
192.05901	0.6
194.74745	0.3
207.03017	0.6
221.06647	0.5
225.11148	0.4
227.03575	0.6
232.24600	0.3
241.00230	0.5
250.89522	0.4
255.03079	1.2
256.03360	0.9
284.03250	0.9
285.03809	1.5
286.03912	1.4
287.04608	0.9
342.39548	0.4
389.18146	0.8
433.15140	0.5
433.24689	0.5
473.14755	0.7
505.26938	0.4
509.16971	1.0
535.26965	0.4
542.19995	0.4
551.20209	0.6
595.15747	5.0
595.29462	3.5
596.16217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	2.2
59.01382	38.8
61.98829	19.6
67.01893	10.7
67.66438	1.3
68.99467	2.4
68.99818	28.2
69.60314	5.6
69.60729	2.6
71.01382	27.9
74.00998	1.2
83.01362	1.6
85.02950	8.6
87.00874	3.1
88.74819	1.1
89.02454	26.7
93.03474	3.3
95.01413	2.6
96.96011	6.4
99.00926	2.3
99.04565	1.5
101.02451	73.1
109.02938	5.8
113.02454	12.9
119.01412	1.2
119.03498	4.7
119.04993	2.0
121.02966	23.8
124.50099	1.3
127.04016	31.7
131.03513	2.8
133.02950	1.9
135.04518	4.5
139.04010	2.3
139.73703	1.4
143.03513	2.6
145.02965	5.8
147.04491	4.2
149.02435	2.2
149.04556	6.0
151.04008	1.8
161.04572	3.2
163.04106	5.8
165.05553	3.2
173.02345	1.6
177.05583	5.6
179.03539	2.4
179.05600	3.4
191.03514	4.7
191.05598	7.8
195.06644	3.1
197.04449	1.8
205.05070	20.3
214.38969	1.2
223.06041	9.0
229.01559	1.9
241.07155	10.2
251.28523	1.2
271.08426	1.2
291.71774	1.3
293.29300	1.3
355.10275	7.1
373.11389	100.0
374.11584	3.8
486.91748	1.2
503.14178	4.7
535.16711	52.5
535.23761	2.5
536.17029	3.0
595.15076	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	595.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.0
60.48546	0.6
60.60686	0.5
71.01385	1.4
71.53838	0.8
77.08541	0.7
85.02955	9.2
87.00908	2.8
93.03435	3.8
101.02473	0.9
107.07025	0.7
111.04503	0.9
127.03987	2.4
135.73080	0.6
142.52226	0.6
154.63107	0.5
164.07401	0.5
171.02977	1.1
173.04593	1.0
191.05608	100.0
192.05896	1.9
204.92155	0.6
207.01640	0.7
229.01414	5.2
327.79568	0.8
404.67010	0.6
435.02341	0.7
497.96225	0.6
554.64258	0.7
571.69769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34381	2.0
59.01375	15.4
59.78272	1.9
67.01904	2.3
68.47961	1.9
68.99815	31.6
71.01376	19.1
73.02963	3.9
81.03467	6.9
83.01368	3.0
85.02970	3.1
89.02454	25.7
93.03458	4.5
93.70522	2.0
96.96037	3.6
97.02927	3.6
99.00903	9.8
99.04527	12.1
101.02451	95.5
111.00877	4.3
111.04514	4.1
113.02421	3.6
121.02966	11.5
125.02431	6.1
127.04025	4.7
128.72621	2.1
131.03539	4.0
135.04562	4.8
136.54482	2.3
138.90121	2.2
139.04024	60.4
145.02998	3.4
147.04561	2.8
149.04570	13.2
155.03448	2.6
161.02437	4.8
165.05574	4.0
181.05135	2.4
191.03514	8.1
191.05595	8.4
223.06154	3.0
229.01390	3.4
229.61047	2.5
241.07181	100.0
328.93872	2.0
359.17502	2.4
494.41934	2.5
503.14291	13.2
535.16754	77.6
536.17023	4.8
614.46594	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	37.6
68.99593	15.6
69.44423	100.0
80.75040	14.3
84.72729	14.2
98.20670	16.3
104.79141	12.9
190.74226	15.4
210.26402	14.7
255.23503	16.3
543.89783	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	593.2632
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01365	2.0
61.98840	6.9
64.89025	1.0
71.01376	5.6
71.54845	1.3
71.55586	1.1
73.02954	1.3
78.98591	4.0
79.95751	8.0
80.96518	49.4
82.96107	1.8
85.02936	2.7
87.00877	2.7
94.98077	10.7
96.95992	2.5
101.02454	2.5
106.98068	1.6
108.26250	1.0
108.68430	1.2
111.00884	1.8
121.02937	3.8
122.97587	4.7
125.02432	3.1
134.97568	3.6
148.99124	3.6
152.98642	5.1
164.98628	8.2
165.01913	4.0
182.99687	1.3
195.20557	1.0
206.99583	2.0
225.00723	15.1
243.01855	1.4
299.04379	3.8
348.35327	1.1
540.16687	1.2
590.77594	1.2
593.26294	100.0
594.26978	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	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73221	1.0
56.62177	1.3
59.01368	3.0
61.32292	1.1
71.53736	1.0
78.95905	63.1
80.80200	1.0
96.96959	12.5
101.64317	1.1
117.03453	1.4
121.02921	1.2
123.42014	1.0
145.02911	3.3
146.03246	1.2
152.99588	50.9
171.00569	1.2
209.04659	1.1
209.11847	6.0
221.15451	0.9
223.00070	1.7
227.03497	1.3
241.01181	30.2
255.02925	1.3
277.21701	42.0
278.21887	2.0
315.04892	6.9
413.20883	5.1
592.33429	1.5
593.27161	100.0
594.27527	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	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03194	3.4
57.03448	40.2
59.01381	100.0
60.01723	2.3
60.86042	2.0
60.99298	4.7
61.98835	13.2
67.01882	7.2
69.03461	4.0
71.01382	25.7
71.55480	3.1
72.99297	5.5
73.02937	6.6
75.00880	1.7
80.96503	4.3
81.03445	4.4
83.01368	5.0
83.05031	2.3
83.90051	1.9
85.02943	22.3
87.00882	14.8
88.18858	1.9
88.98765	2.4
89.02417	5.7
93.03461	55.1
95.01382	3.8
96.95999	7.0
97.02904	2.2
99.00849	2.9
99.04520	40.3
99.41301	2.2
101.02444	26.9
102.02747	2.1
108.02158	2.7
109.02936	3.0
110.05299	2.3
111.00870	6.7
111.04494	11.2
113.02449	11.4
121.02911	2.0
121.49645	2.1
124.01667	3.2
125.02444	7.2
127.04031	2.7
129.01955	3.4
130.25124	2.4
133.02975	14.5
134.03726	13.8
135.04530	28.8
135.60648	1.9
137.02408	9.2
143.03497	3.6
151.03963	3.8
155.03484	9.3
160.01588	2.2
161.02406	5.8
161.04558	66.5
161.05884	4.3
162.03288	3.3
162.04904	2.7
171.10220	2.3
173.04544	69.3
173.06030	4.1
174.04903	2.8
175.03922	3.1
177.01895	5.2
178.02650	6.9
179.03568	10.4
180.04236	1.9
187.04037	2.7
187.07616	2.3
190.02739	2.0
191.05608	95.8
192.05957	5.7
202.06393	1.9
209.11807	5.9
211.13466	3.5
215.05637	3.5
225.11182	2.5
227.03442	7.6
231.10254	2.5
245.15816	2.1
246.05206	4.8
255.02977	15.1
275.09232	16.4
284.03271	18.8
285.04028	17.7
299.26120	2.2
308.09027	4.4
317.08801	2.2
334.06760	5.9
351.06989	3.3
352.07910	12.9
369.99973	2.0
431.13229	3.6
449.14514	60.5
450.14905	5.8
489.34384	51.5
507.35519	16.1
549.36151	6.6
593.14563	21.2
593.32166	5.8
594.16730	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1511
Annotation	Isovitexin 6''-O-glucoside
Peak:m/z	Relative Intensity
52.48907	0.4
53.00763	0.4
57.03458	1.3
59.01383	6.6
60.99305	1.9
61.98823	0.8
67.01888	3.3
68.72344	0.6
69.03439	1.2
71.01384	4.6
71.55169	0.5
71.55599	0.6
71.86707	0.5
72.99303	0.5
73.02941	1.1
81.03465	1.3
83.05042	1.7
85.02946	10.9
87.00867	8.3
88.44985	0.5
88.98804	1.0
89.02448	3.7
93.03461	26.6
95.01382	0.5
96.96011	10.5
96.96966	0.8
99.00909	1.3
99.04536	0.6
101.02451	1.9
108.02184	0.7
109.02962	2.8
109.68167	0.5
109.83715	0.4
111.00907	0.6
111.04507	4.8
113.02466	0.8
114.85261	0.5
119.03508	0.6
119.05051	0.8
123.04552	0.9
125.02473	1.1
127.04041	2.8
129.01912	0.7
131.03531	0.5
133.02954	0.7
135.04504	1.3
137.02403	1.0
145.02945	0.7
147.04514	2.2
149.04562	0.9
149.06059	0.4
152.01152	0.5
153.01936	2.5
155.03539	2.6
159.04515	1.1
161.02409	1.0
163.04054	0.6
171.02989	0.8
173.02467	2.3
173.04547	8.8
173.05995	0.8
174.03247	2.7
175.03999	5.8
179.03542	0.7
179.05641	0.6
187.04030	1.9
191.05614	100.0
192.05917	2.3
200.01070	0.7
201.01953	1.5
202.02693	0.9
203.03522	0.6
205.05035	1.1
209.06079	0.5
211.04123	1.1
213.05475	0.6
217.05026	1.3
219.02910	1.2
223.07706	0.7
225.05678	1.2
227.03482	2.4
229.01382	0.8
232.03703	1.2
233.06651	0.9
237.05580	1.0
239.07077	0.8
248.04868	0.5
251.07108	0.8
254.05666	0.7
255.02969	2.3
261.04010	1.6
261.74673	0.5
267.06381	0.5
269.04575	2.5
269.07968	0.6
270.05283	3.5
279.06693	1.2
281.08282	0.6
284.03122	1.7
285.03986	2.1
293.04636	0.8
297.07788	2.5
299.09164	1.0
305.04733	0.5
311.09280	0.7
323.05649	0.9
325.07120	3.3
329.10159	0.8
341.06610	1.1
343.08231	1.7
352.58075	0.7
357.09723	0.8
369.06073	0.8
375.10776	2.1
393.08231	1.9
401.08600	0.6
421.07501	1.5
533.12915	1.1
547.14539	1.7
593.14966	82.2
594.15332	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	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62080	0.5
63.03600	0.7
69.46696	2.4
69.47115	1.9
79.89774	0.5
93.03438	1.7
107.01367	1.9
109.02940	0.8
135.00854	1.3
143.05048	1.0
151.00357	2.0
151.07947	0.6
157.06439	0.6
159.04486	1.3
163.00351	2.0
165.01868	0.7
167.04980	0.5
171.04541	1.0
183.04483	1.0
185.06027	3.1
187.04007	2.1
189.05576	0.8
190.99802	0.8
195.04408	0.8
197.06046	0.8
198.03087	0.5
199.03992	1.2
211.03984	2.7
213.05582	1.7
227.03493	36.4
228.03850	1.1
229.05067	9.6
239.03442	1.5
239.32266	0.6
240.04250	0.7
241.04962	1.7
255.02995	54.2
256.03705	4.4
257.04562	5.5
267.03021	0.8
284.03265	44.9
285.04050	62.5
286.04358	1.8
327.05154	1.3
593.15112	100.0
594.15375	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	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57769	0.2
57.03453	0.3
59.01377	0.4
63.02405	0.5
65.00324	0.6
83.01377	0.4
85.02971	0.2
88.98842	0.3
93.03495	1.1
93.48209	0.2
98.20660	0.5
99.04514	0.4
107.01393	1.7
108.02177	0.6
109.02955	0.4
117.03456	0.4
119.04997	0.4
125.02407	0.2
132.02177	0.7
135.00882	0.8
137.02441	0.4
137.46088	0.2
140.89249	0.2
143.05025	0.4
145.02940	0.3
145.50670	0.2
151.00360	3.2
152.01125	0.6
153.01955	0.4
159.04488	0.5
161.04584	0.4
163.00397	1.3
163.03998	0.3
164.01170	0.5
167.05014	0.2
169.06616	0.3
171.04497	0.3
173.04602	0.3
173.06023	0.2
174.03079	0.2
182.03738	0.2
183.04477	0.7
185.02437	0.3
185.06087	1.2
186.65886	0.2
187.04019	1.3
189.05547	0.4
190.99857	0.3
191.05548	1.0
195.04555	0.3
197.06047	0.4
199.04037	0.8
200.04797	0.3
211.03954	1.7
212.04764	0.2
213.05556	0.8
227.03484	31.3
228.03918	1.3
229.05043	3.7
229.49370	0.2
230.05357	0.2
239.03548	1.1
240.04242	0.5
241.05067	1.0
255.02974	60.4
256.03604	5.8
257.04538	2.9
267.03003	0.3
275.09497	0.2
283.02417	0.6
284.03244	85.0
285.03976	29.6
286.04413	0.9
299.05569	0.3
327.05045	1.0
354.66110	0.3
447.11172	0.6
449.14157	0.4
543.15588	0.2
549.08685	0.2
593.15076	100.0
594.15436	9.1
621.88037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99224	0.4
61.98819	1.3
71.47277	0.5
71.47646	0.4
75.00876	0.5
96.96011	3.1
117.03461	24.7
119.05021	21.8
120.05354	0.5
121.02943	2.6
123.04517	0.9
133.02962	0.9
137.88541	0.4
139.20897	0.4
145.02948	77.5
146.03313	1.3
147.04549	0.5
162.03241	0.4
163.04001	15.9
200.80670	0.5
211.13335	0.5
225.11322	1.5
291.19727	0.5
362.38528	0.5
531.31238	1.0
555.31067	0.7
573.32135	13.8
574.32477	0.8
591.33246	100.0
592.33557	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	591.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97913	5.1
69.03451	9.6
135.90823	5.7
151.11278	5.4
162.81160	5.4
167.13557	5.2
179.10771	16.5
197.11813	55.2
241.10863	7.8
255.23325	58.4
256.23657	8.4
315.14218	7.5
325.48465	6.8
343.39008	5.8
434.61340	6.0
509.52695	6.8
553.37457	100.0
555.38165	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	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34875	0.2
56.85117	0.2
57.03450	1.0
57.13843	0.2
57.96797	0.2
59.01366	1.2
60.59089	0.2
61.98831	100.0
63.87860	0.2
71.01398	0.3
71.55289	0.4
78.35316	0.2
80.96529	0.3
83.05040	0.3
85.02983	0.6
87.00883	0.6
92.79172	0.2
93.03448	1.3
96.96030	0.5
99.04527	1.2
99.57732	0.2
101.02455	0.5
105.45408	0.2
111.04546	0.3
133.02927	0.5
134.03767	0.5
135.04581	0.6
144.54086	0.2
151.00563	0.2
159.04596	0.3
161.02563	0.2
161.04543	2.2
173.04558	1.5
178.02652	0.2
179.03470	0.3
191.05614	3.5
191.07153	0.3
192.05942	0.3
209.11821	0.4
227.03601	0.6
231.10263	0.3
235.58900	0.3
255.03091	0.5
275.09457	0.8
284.03357	0.5
285.04132	0.9
431.28043	0.2
436.09332	0.2
449.14679	0.9
475.61383	0.2
593.15997	0.8
593.33569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66215	0.9
55.01870	4.0
57.03444	4.5
58.00595	2.2
59.01379	76.6
61.98829	3.0
65.09869	1.1
69.03448	2.2
70.39852	1.9
70.40184	1.9
71.01381	100.0
72.99307	3.9
73.02941	19.7
75.00860	2.2
81.03442	1.2
83.01385	8.4
84.02170	1.5
85.02953	37.2
87.00877	4.4
89.02441	66.9
93.03452	3.2
95.01396	7.6
96.96011	5.6
97.02947	2.8
99.00884	10.2
101.02440	62.2
111.00865	6.9
111.04559	1.0
113.02450	36.3
116.92865	2.1
119.03484	20.6
125.02457	5.7
126.02767	1.1
129.01917	1.8
129.53864	0.9
131.03506	14.2
133.02876	1.1
135.04514	4.0
143.03484	5.5
149.04543	35.7
159.02948	2.8
161.02470	2.1
161.04559	30.9
171.10318	1.5
173.00960	1.3
173.04639	2.3
179.03395	1.3
179.04036	1.6
179.05592	20.5
188.53328	1.1
191.05608	14.5
201.11287	1.4
216.54843	1.0
276.85226	1.2
293.08725	3.0
341.19742	9.5
399.23865	57.4
400.24164	3.5
454.00211	1.1
473.23920	4.3
487.33142	1.5
488.81201	1.2
510.17694	1.2
513.26935	2.9
531.28119	99.7
532.28729	6.8
573.26263	4.1
573.76062	1.6
591.17285	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	591.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01381	0.8
61.98836	0.7
62.64187	0.1
67.01892	3.1
70.69016	0.3
71.01391	0.6
83.01404	0.3
85.02953	0.5
87.00882	5.7
87.80718	0.1
88.98823	1.0
89.02452	0.1
89.99133	0.1
90.99253	0.1
93.03449	0.5
96.96021	0.4
99.74937	0.1
101.02446	0.3
111.00883	100.0
112.01221	1.3
113.02406	0.1
117.05643	0.2
121.03033	0.1
129.02028	0.1
130.99913	0.2
133.02933	0.1
135.04530	0.4
137.02512	0.1
154.99901	0.3
161.02383	0.3
161.04544	0.2
173.00908	16.0
174.01302	0.2
191.05620	1.9
192.05949	0.1
294.21069	0.1
301.03064	0.1
376.60843	0.1
430.66934	0.1
456.07529	0.1
591.17566	0.3
591.26459	2.1
592.26733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.68385	0.3
61.98832	100.0
66.93901	0.3
69.38550	2.1
71.01387	0.4
80.96481	0.4
88.98812	0.3
96.96034	0.5
98.19930	0.7
108.23845	0.3
113.96397	0.4
155.84203	0.3
191.05698	0.5
591.24939	0.7
591.33685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
59.01378	12.1
61.82115	1.0
61.98831	22.5
68.15441	1.1
71.01372	3.7
71.55687	1.7
82.18742	0.9
86.22257	1.0
87.07921	0.9
89.02420	2.8
89.45148	0.9
101.02426	4.3
113.02448	1.4
113.09721	10.9
139.11246	1.1
161.04594	1.1
167.10710	1.7
171.10300	1.7
179.10843	1.3
187.57376	1.1
253.09251	16.0
275.20145	2.5
293.21222	100.0
294.21365	5.0
431.32275	1.1
529.30835	5.2
589.34320	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
59.01381	14.3
61.74983	0.4
61.98832	50.5
62.98529	0.4
62.99218	0.4
69.35272	3.4
71.01386	3.8
73.02959	0.9
85.02969	0.8
87.00864	0.6
89.02455	3.3
97.06590	0.4
99.00850	0.5
101.02450	3.7
109.06593	0.6
111.00901	0.6
113.02428	1.4
113.09730	8.6
119.03515	1.0
121.10178	0.5
129.88593	0.4
139.11310	1.0
161.04533	1.2
167.10779	0.9
171.10222	1.9
177.12840	0.7
179.10762	1.3
183.13841	0.5
187.94907	0.4
191.05669	0.5
195.13872	1.4
209.11856	0.4
223.17104	0.5
235.08037	0.6
235.16982	2.2
248.51424	0.5
249.22231	1.5
253.06644	0.9
253.09285	16.7
254.09453	0.4
275.20193	4.7
293.21228	100.0
294.21503	4.6
330.14694	0.4
341.02429	0.5
529.30579	5.9
589.32941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29731	0.4
52.17965	0.4
52.65839	0.4
57.03442	1.4
59.01376	4.1
60.99319	2.7
61.98827	1.0
67.01897	8.4
67.36401	0.5
69.03460	2.1
69.43797	1.8
69.44225	1.2
71.01391	4.6
73.02956	1.0
75.78226	0.4
79.95766	0.6
81.03465	1.7
83.05034	1.2
85.02959	10.0
87.00883	10.1
89.02454	1.4
93.03466	45.7
94.03767	0.8
95.01382	0.5
95.05052	0.6
96.96021	12.4
98.19883	0.6
99.00884	1.2
99.04541	1.1
101.02457	2.1
105.03461	2.7
108.02158	0.7
109.02975	4.3
111.00890	16.2
111.04525	6.1
113.02451	0.8
121.02979	0.7
123.04536	0.7
124.01681	0.8
125.02475	0.7
127.04000	1.8
129.01926	0.7
131.03452	0.5
132.02150	2.2
133.02966	15.7
134.03802	2.6
135.04538	21.3
136.04893	0.6
136.39462	0.5
137.02513	2.7
149.02475	1.3
149.04568	0.9
150.03239	1.9
151.04012	2.7
152.71855	0.4
153.05466	0.5
155.03511	1.8
160.01689	4.7
161.02516	3.4
163.04041	0.6
171.03014	0.6
173.00934	2.1
173.04559	32.9
174.04846	0.6
175.03958	0.5
177.01935	9.3
178.02672	1.1
179.03505	8.5
191.05621	100.0
192.05997	1.5
207.02992	7.0
208.03775	4.1
210.11610	0.5
215.05630	9.3
222.05350	8.0
223.06120	8.4
237.07709	6.4
290.07971	0.6
307.08145	1.6
308.09134	2.4
351.07242	14.3
352.07822	1.5
357.10028	0.6
366.09595	0.8
367.10327	4.3
378.20468	0.4
383.07660	1.1
397.09308	5.4
415.10281	1.1
529.26514	1.6
545.16595	1.4
557.12939	3.4
589.15674	8.6
589.25049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
59.01384	7.2
60.62883	0.4
60.99298	1.4
61.98832	1.0
66.56923	0.4
67.01891	6.2
69.03446	0.9
69.28128	0.4
69.37063	1.9
69.37482	1.3
71.01387	4.3
73.02922	0.8
75.00867	0.7
77.03954	0.5
81.03460	1.7
83.05032	1.4
85.02951	9.1
87.00880	6.5
89.02448	1.5
91.05578	0.5
93.03462	35.3
95.01398	0.5
95.05037	0.6
96.96006	2.2
99.00880	1.3
99.04507	1.1
101.02464	1.5
105.03461	2.7
107.05017	0.6
107.25514	0.4
109.02935	3.4
111.00891	6.4
111.04526	4.9
113.02486	1.3
116.30424	0.4
116.92867	0.5
121.02970	0.7
125.02453	0.6
127.04015	1.7
129.01968	0.5
131.03551	0.6
132.02162	1.9
133.02971	17.0
134.03729	1.7
134.90094	0.4
135.04538	16.8
137.02461	2.0
141.01703	1.9
143.03471	0.5
149.02388	1.0
150.03217	0.8
151.03990	2.2
155.03468	1.5
160.01688	5.6
161.02480	2.9
161.04539	0.7
171.03056	0.6
173.04552	28.9
177.01936	8.9
178.02673	1.6
179.03491	6.7
181.05057	0.5
191.05612	100.0
192.05960	1.6
207.02997	7.5
208.03793	3.8
215.05606	8.5
222.05334	7.1
223.06126	7.5
237.07700	5.7
307.08231	1.6
308.09021	1.5
351.07196	10.6
352.07971	1.1
366.09528	1.3
367.10324	2.0
369.06192	0.4
383.07724	1.9
397.09293	6.8
415.10464	0.7
450.80856	0.5
529.26343	1.3
545.16266	2.1
557.13123	5.2
589.15594	5.7
589.23926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3093
Annotation	Methyl ganoderate H
Peak:m/z	Relative Intensity
59.01358	0.7
69.58849	2.2
69.59252	1.5
75.00869	1.2
78.95908	14.8
79.95734	3.4
89.22954	0.5
93.03442	0.6
96.96016	100.0
96.96942	23.6
103.15911	0.6
104.95650	0.6
164.40929	0.6
178.48024	0.7
292.82819	0.7
487.34299	16.8
488.34613	1.2
500.32565	0.6
507.28476	0.8
523.27716	1.2
525.28918	5.1
567.29706	0.8
569.28119	2.9
585.31042	18.0
586.31610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31558	0.4
51.15800	0.4
59.01388	0.8
61.98833	100.0
71.01389	0.6
81.01025	0.4
94.34071	0.4
113.09682	0.9
174.68341	0.4
202.33099	0.4
253.09343	0.9
293.21213	6.5
363.73834	0.5
487.57538	0.5
588.31873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01383	6.3
60.99293	0.5
61.98830	1.8
67.01891	2.8
67.44218	0.3
69.03460	0.7
69.22694	2.6
71.01386	3.4
73.02942	1.0
75.00903	0.6
77.03997	0.5
81.03477	0.9
83.01382	0.5
83.05032	0.9
85.02956	10.1
87.00877	5.2
89.02451	1.1
91.01928	0.4
93.03463	13.9
94.03838	0.4
95.05035	0.5
96.96010	2.2
97.06610	0.4
99.00880	0.8
99.04530	1.3
101.02454	1.9
105.03443	1.2
106.97470	0.3
107.05050	0.4
107.31813	0.3
108.02157	0.7
109.02966	2.7
111.00887	24.7
111.04509	2.2
112.01199	1.8
113.02452	1.7
117.03446	0.5
117.05588	0.7
119.03458	0.4
119.05019	0.4
121.02917	0.8
123.04534	0.9
124.01705	0.4
125.02438	0.7
127.04034	2.3
129.01927	0.4
132.02171	1.8
133.02965	10.9
133.73904	0.3
134.03801	1.6
135.04529	12.7
136.04913	0.4
137.02477	1.6
145.02982	1.0
147.04541	0.8
148.01651	0.8
149.02415	0.9
149.04578	0.4
149.06119	0.5
150.03217	0.7
151.03987	1.3
155.03499	0.8
160.01668	4.3
161.02467	5.4
161.04572	1.4
162.02864	0.6
163.04053	0.7
164.04803	0.5
167.03500	1.1
171.02992	1.0
173.00937	3.2
173.04549	10.5
174.01219	0.4
175.03996	0.5
176.01135	1.0
177.01949	4.2
178.02681	0.7
179.03502	5.7
179.07135	0.6
187.07626	0.4
189.01959	0.6
191.05617	100.0
192.05943	2.3
207.02983	5.6
208.03760	3.8
215.05580	4.9
221.06346	0.6
222.05341	3.5
223.06091	4.7
225.07661	0.5
233.06216	0.6
235.03999	0.4
237.07686	3.3
244.67393	0.4
277.05115	0.6
281.17538	1.1
304.42691	0.3
307.08273	0.6
308.09143	0.9
333.04034	1.2
351.07330	5.6
357.09723	0.3
363.07205	1.8
365.08939	2.5
366.09586	1.1
367.10245	0.6
367.21140	1.0
369.06027	0.4
377.71036	0.4
383.07715	1.4
397.09256	6.0
426.69125	1.9
443.22952	0.5
525.10535	1.1
528.60101	0.3
529.26538	3.1
545.16504	1.6
551.17706	0.6
551.24994	0.4
557.12939	5.8
559.25439	0.4
589.15149	3.7
589.23669	0.5
590.16241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.9
59.01381	20.9
61.98813	5.9
67.01887	2.2
68.99782	5.9
70.38608	2.3
70.38957	5.9
71.01376	12.7
72.99301	2.9
73.02937	2.4
73.95953	2.0
74.43493	2.1
75.00860	4.1
78.95863	1.9
81.03428	2.6
85.02956	8.9
87.00872	8.7
89.02448	14.7
93.03450	5.9
96.96016	68.1
101.02448	22.0
101.61234	1.7
109.02937	3.0
113.02423	6.4
116.92798	2.4
119.03511	3.4
121.02959	3.0
123.04535	10.1
127.03984	5.1
135.04524	5.7
137.02422	3.8
145.02922	4.1
147.04463	4.0
149.02443	2.1
149.06059	2.7
163.03928	3.4
165.05545	2.3
167.07158	2.5
177.05522	3.5
179.05591	3.8
191.05606	32.6
193.04956	2.9
195.06516	3.6
205.04991	3.3
211.06169	3.0
223.06171	2.0
225.07611	5.2
295.08157	2.2
325.09106	2.8
342.47751	2.1
353.07959	2.3
369.15341	3.8
387.12302	18.0
387.17380	13.8
391.12527	2.5
398.41241	1.9
434.07120	1.8
461.10654	2.3
541.15320	2.2
549.18079	23.2
549.25580	3.2
557.73712	1.9
579.38116	2.0
585.15881	100.0
586.15979	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	584.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79422	0.2
56.14503	0.2
57.71526	0.2
58.04707	0.2
59.01386	1.2
61.98832	100.0
63.99277	0.2
71.01382	1.0
71.55991	0.3
73.02958	0.3
83.01439	0.2
85.02961	0.7
89.02437	0.3
93.03481	0.6
96.96007	2.1
101.02473	0.5
108.02234	0.3
109.02975	0.6
113.02448	0.3
116.92896	0.3
120.99696	0.3
127.04040	0.2
145.02965	0.4
152.01210	0.5
153.01923	0.7
173.04579	0.3
191.05634	4.4
192.05963	0.4
241.07306	0.3
280.67270	0.2
365.70148	0.2
461.10971	0.4
462.11276	1.2
523.26636	0.4
524.26630	1.6
584.18646	0.4
585.22937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88186	0.2
51.09737	0.2
54.07685	0.2
59.01379	0.7
60.01720	0.3
61.98830	100.0
63.99251	0.2
68.13001	0.2
69.17682	0.6
69.18099	1.2
71.01371	0.8
72.01755	0.2
73.02951	0.2
85.02960	0.6
89.02442	0.4
93.03492	0.6
96.96011	1.7
98.20662	0.4
101.02451	0.4
108.02168	0.2
109.02975	0.4
111.00872	0.2
111.04595	0.2
113.02385	0.2
120.99655	0.4
135.04527	0.3
137.06133	0.2
139.04074	0.2
145.02934	0.2
152.01176	0.4
153.01935	0.7
161.02429	0.2
161.04507	0.2
173.04628	0.3
183.26660	0.2
185.03725	0.2
191.05606	3.2
192.05899	0.2
257.09814	0.2
262.83432	0.2
271.25909	0.2
352.39566	0.2
384.49594	0.2
391.22369	0.3
462.11282	1.0
523.26593	0.4
524.26825	1.5
584.17450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2934
Annotation	Scutianine K
Peak:m/z	Relative Intensity
56.17488	0.5
57.03451	1.3
59.01392	1.4
61.98825	1.1
65.56069	0.6
71.01366	0.7
74.61340	0.7
79.95741	1.2
80.96519	100.0
85.02950	0.7
93.03473	1.9
96.96018	2.9
101.02470	0.7
111.00864	2.0
116.92897	0.6
173.04547	1.8
191.05554	4.8
200.78683	0.6
352.96118	0.6
457.33282	23.0
458.33444	1.8
473.32733	2.8
483.31772	0.9
501.32260	6.5
502.33032	0.8
539.30316	2.0
583.29480	84.1
584.29999	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	584.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52069	0.1
58.13267	0.2
58.46328	0.1
59.01370	0.9
61.98832	100.0
62.28205	0.2
63.99252	0.3
71.01379	0.7
73.02975	0.2
74.99091	0.2
85.02972	0.7
89.02455	0.4
93.03485	0.6
96.96027	1.3
98.20780	0.2
99.00880	0.2
101.02438	0.7
108.02194	0.2
109.03004	0.4
120.99639	0.2
127.04054	0.3
135.20981	0.2
145.02950	0.4
152.01237	0.3
153.01881	0.4
154.02367	0.2
160.04051	0.1
165.05602	0.2
168.40118	0.1
173.04578	0.4
185.03793	0.3
191.03845	0.1
191.05602	3.3
191.07159	0.3
192.05986	0.4
229.81334	0.2
239.97491	0.1
341.51764	0.2
373.58163	0.2
391.22430	0.2
461.11057	0.3
462.11246	0.8
522.26208	0.2
523.26660	0.5
524.26727	1.6
584.17804	0.5
585.06885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00846	0.4
54.22680	0.4
57.03445	0.8
59.01382	13.7
61.63857	0.4
61.87033	0.4
66.71276	0.4
69.03449	0.4
69.25148	1.0
69.25558	2.9
71.01381	3.6
72.99306	1.0
75.00884	1.2
75.41461	0.3
76.53806	0.3
77.06265	0.4
79.95744	4.6
80.96528	2.4
83.01411	0.4
85.02951	4.1
87.00903	0.5
89.02451	1.2
89.11497	0.4
95.78581	0.5
95.95252	1.7
96.96016	100.0
97.02959	1.2
98.20660	0.9
99.00887	1.8
101.02449	1.1
103.00371	6.7
113.02477	0.7
115.04019	0.9
129.01982	2.0
138.97079	1.5
150.97093	0.6
152.98647	1.6
155.65552	0.4
159.03046	0.7
164.98607	1.3
168.98117	1.3
176.98680	2.7
177.04044	5.4
180.98195	0.6
194.99699	1.1
238.98697	5.9
241.00195	1.8
256.99741	34.0
258.00070	0.6
263.45428	0.4
299.00775	5.1
342.99835	0.7
479.19742	0.8
497.20639	57.8
498.20801	2.5
539.21686	29.8
540.22028	1.5
565.19751	1.2
583.20660	60.1
584.20966	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.1
57.03446	0.1
59.01377	1.4
61.98831	100.0
62.98536	0.1
65.69729	0.1
67.46767	0.1
69.03461	0.3
69.27994	0.3
69.28419	0.7
71.01386	1.5
73.02962	0.3
78.59402	0.1
83.01426	0.1
85.02950	0.6
86.75444	0.1
87.00888	0.3
89.02447	0.8
90.02872	0.1
93.03467	0.3
95.92609	0.1
96.96014	0.7
97.02984	0.2
97.71672	0.1
98.95642	0.1
101.02449	1.1
108.02138	0.8
109.02968	0.5
111.00865	0.2
113.02450	0.6
117.03487	0.4
119.03558	0.1
119.05079	0.4
120.99680	0.3
123.04501	0.5
125.02409	0.1
126.79934	0.1
131.03523	0.2
135.04556	0.3
144.43233	0.1
145.02954	2.6
149.04584	0.2
149.06120	0.1
152.01173	1.7
153.01964	0.4
161.04578	0.2
163.04007	0.7
170.21730	0.1
173.04626	0.2
191.05595	1.0
192.06009	0.1
193.05096	0.1
211.06143	0.2
233.06630	0.2
315.07236	0.6
390.22314	0.2
461.10889	3.3
519.14990	1.8
520.15833	0.2
521.25848	0.3
522.26288	3.4
523.27460	0.6
582.24017	0.2
583.11212	0.2
596.38226	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03443	1.7
58.00590	1.2
59.01383	41.2
61.98830	30.2
68.46408	0.6
68.99812	1.3
69.03448	0.9
69.49419	2.7
69.49833	1.8
71.01382	33.2
72.01707	1.0
72.99303	2.4
73.02943	8.1
83.01379	3.8
85.02952	10.2
86.00064	0.6
87.00870	2.3
89.02446	34.3
90.02776	0.9
93.03453	4.6
95.01392	1.5
96.96011	11.3
97.02970	1.6
98.95593	1.0
99.00887	2.4
101.02441	26.6
111.00856	2.9
113.02457	10.6
115.03994	0.8
119.03519	4.9
119.04973	0.8
125.02440	2.7
131.03505	11.7
135.04535	0.9
136.01649	1.1
137.02408	1.9
143.03525	1.4
149.04556	11.6
151.04018	2.2
159.02975	1.1
161.02431	1.2
161.04539	4.0
163.04025	1.2
165.01878	0.8
175.59802	0.7
179.05666	1.8
181.05037	0.8
191.05626	7.9
191.07195	1.2
193.05080	1.1
195.06645	0.9
207.02982	1.7
211.06068	0.9
215.05801	0.6
227.16647	0.8
293.08902	1.0
344.08905	1.5
355.08072	0.8
358.10635	0.8
359.11365	2.9
373.13004	2.5
381.78601	0.7
389.12509	1.9
389.21704	6.7
404.14630	1.3
419.11829	0.7
419.17102	14.3
449.98370	0.7
517.20880	0.7
521.26007	100.0
522.26324	7.1
524.00238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
56.08276	0.5
57.03447	2.3
57.56150	0.5
58.00573	0.6
59.01382	29.9
61.98825	1.4
69.03456	1.4
69.47565	3.9
71.01384	34.2
72.99284	1.6
73.02949	8.6
81.03495	0.7
83.01396	4.3
85.02953	13.1
87.00883	2.2
89.02451	22.5
93.03455	0.6
95.01392	1.9
96.96015	2.6
97.02935	2.3
98.20655	1.4
99.00893	2.3
101.02448	19.2
111.00873	5.7
113.02450	8.7
115.03997	1.3
119.03520	1.5
125.02447	4.8
131.03513	8.4
135.46803	0.6
143.03511	2.1
147.11784	0.6
149.04573	7.3
151.03897	0.6
159.03000	1.3
161.04541	3.8
191.05667	3.4
203.05661	0.6
233.06612	3.3
248.22765	0.6
293.08725	2.5
301.30444	0.6
343.51434	0.6
371.20767	0.7
389.21802	9.4
521.26025	100.0
522.26239	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	581.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.6
61.98842	18.6
67.01889	5.6
71.01379	7.0
71.55006	2.9
73.48389	2.7
79.95727	3.5
80.68643	2.4
80.96528	9.6
85.02953	8.2
87.00870	9.8
93.03458	40.8
96.96016	19.1
98.62589	2.8
101.02454	3.0
102.84048	2.6
111.00887	7.4
111.04538	7.5
127.04062	2.5
137.02403	6.1
155.03491	2.6
159.04495	3.1
161.02489	2.8
171.03009	3.1
171.10205	3.2
173.04550	42.0
174.04930	3.2
175.00354	5.9
175.04016	3.4
187.07602	3.5
188.57167	2.8
191.05618	100.0
197.11858	5.2
201.05679	3.2
201.11272	5.9
203.07101	4.8
205.08722	5.3
207.10403	3.4
209.11809	11.2
215.07108	9.6
225.11356	3.7
230.09460	4.5
232.07265	3.4
233.08281	39.9
247.09723	3.1
251.09273	24.9
253.09358	5.3
254.88969	2.7
274.08487	3.3
291.19586	3.3
292.09525	8.2
309.20706	10.8
341.20438	2.7
370.45486	3.8
402.90958	2.8
419.25629	3.4
423.12796	5.4
449.14981	3.5
452.08859	3.0
484.15778	6.0
495.19022	6.2
499.30850	4.4
537.19714	6.8
545.20245	8.7
545.28778	3.8
563.21307	39.9
581.20068	8.0
581.27710	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	581.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
58.00599	3.7
59.01381	100.0
59.92049	0.7
61.98835	3.3
69.25134	6.9
71.01385	59.2
72.99310	5.0
73.02958	2.7
75.00873	10.8
79.95744	1.6
83.01392	2.3
85.02951	10.5
87.00872	5.6
89.02448	89.1
93.03473	2.1
95.01402	5.0
96.96015	20.0
98.95639	0.9
99.00871	0.8
101.02448	38.0
103.00413	1.4
109.03016	1.0
111.00905	2.1
113.02454	24.7
116.92861	1.1
119.03509	42.8
120.99673	1.0
125.02475	0.9
131.03516	4.9
137.02441	2.2
138.03268	1.8
139.04106	0.8
143.03505	7.5
149.04556	3.9
151.04048	2.6
152.04817	1.3
153.05615	1.2
159.04520	1.1
161.02513	1.0
161.04568	7.2
164.98595	1.0
173.04596	1.2
175.03987	6.2
177.05621	1.9
179.05611	19.2
187.03969	6.7
188.04813	2.0
189.05598	2.2
190.06329	3.8
191.05606	11.2
191.07159	1.1
194.05861	1.2
202.06393	3.0
203.07166	2.7
204.04382	0.9
205.05067	6.7
205.08768	1.5
217.08635	1.1
218.05836	0.9
219.06651	2.1
220.07410	7.6
233.08330	1.6
235.09755	5.5
241.00334	1.5
313.11099	1.2
341.10306	5.7
355.12082	1.2
356.12650	4.4
371.15179	3.7
389.16293	2.7
401.16049	52.5
402.16623	1.8
495.18982	16.8
495.25424	1.1
496.19742	1.2
521.18756	1.2
521.26257	5.6
521.33209	1.3
537.20093	9.4
563.20770	1.5
581.20398	16.2
582.18860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.7
61.98831	7.8
63.99247	0.9
69.24630	0.7
69.25054	1.0
71.01380	1.2
77.00312	0.2
78.95908	5.4
78.98587	0.6
79.95736	1.5
80.96518	9.0
81.03449	0.2
81.96449	0.3
85.02939	0.3
87.00870	0.4
91.91302	0.2
94.98083	1.7
97.02962	0.2
106.98079	0.3
122.97588	0.4
125.02453	0.3
134.97565	0.5
148.99127	0.8
152.98528	0.4
152.99666	1.0
164.98630	1.2
165.98885	0.3
168.04280	1.2
168.39331	0.2
206.99629	0.3
224.06932	0.6
225.00752	1.8
226.01102	0.5
242.08023	2.3
244.88684	0.3
281.24841	100.0
282.25180	4.4
299.04373	0.3
300.04788	0.2
356.65787	0.2
506.32486	38.9
507.32828	2.3
521.29126	0.2
580.28784	14.0
581.28540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	22.7
61.98823	29.1
63.76492	8.4
65.99093	8.1
67.01882	16.5
71.01385	15.6
71.10859	14.8
73.70657	7.8
80.96526	10.9
85.02967	16.3
86.05518	8.1
87.00858	25.7
93.03458	98.2
96.96007	17.8
98.20602	8.1
103.37369	7.4
111.00879	41.0
111.04488	9.8
133.02907	9.1
135.04495	23.8
135.62444	8.1
137.02481	9.8
173.04575	63.0
191.05598	100.0
209.11742	16.6
209.43541	10.3
449.14438	35.9
579.20221	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	580.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
60.01721	0.3
61.98832	100.0
69.31385	0.5
69.31809	1.4
69.70215	0.2
70.69704	0.2
71.01382	3.3
72.01735	0.5
72.99330	0.3
73.02961	0.6
73.52129	0.2
85.02949	0.5
89.02449	3.7
97.02969	0.3
98.19837	0.4
99.00904	0.4
99.12686	0.2
101.02435	2.0
102.02840	0.2
113.02469	0.6
123.08181	0.9
124.08501	0.4
125.02476	0.4
131.03540	0.7
149.04590	0.8
161.04492	0.3
163.11319	0.4
164.11623	0.5
189.12863	0.8
190.13295	0.6
191.05640	0.4
207.13980	0.5
208.14172	0.5
233.06818	0.4
293.08667	0.4
388.20630	0.6
390.47800	0.3
393.30869	0.3
519.24481	1.9
520.24750	11.8
521.25171	0.3
609.31213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00798	0.5
56.73721	0.6
56.74017	0.5
59.01379	4.3
61.98833	1.3
63.96231	1.1
69.03452	0.8
70.02044	1.2
70.02435	1.2
71.01389	8.9
73.02945	1.9
78.98586	6.4
79.95741	10.2
80.96520	70.6
81.03459	0.7
83.01387	1.3
85.02971	2.6
87.00890	2.9
89.02446	2.7
94.98089	16.5
96.96019	8.6
97.02964	1.6
98.19927	0.6
101.02455	3.0
106.98083	3.0
113.02450	1.5
118.98089	0.5
119.03516	1.0
122.97589	3.3
125.02467	2.9
129.79454	0.6
134.97581	4.7
136.99117	2.0
143.03537	0.9
148.99153	5.9
152.98648	6.6
161.04567	0.8
164.97304	1.1
164.98628	13.6
167.00206	0.8
179.05658	0.6
195.13927	0.9
206.99684	2.3
209.11856	8.3
225.00766	15.2
252.48395	0.8
255.23386	3.9
277.21838	0.8
279.23312	2.9
295.22833	4.3
299.01526	0.5
299.04279	3.0
306.66400	0.5
323.09750	1.1
341.10898	2.4
579.28430	100.0
580.28766	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	579.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54750	4.0
57.03443	3.7
57.77379	3.2
59.01374	8.1
60.99301	5.2
61.98832	20.9
65.95557	3.4
67.01880	8.8
69.03442	4.7
75.00865	18.1
81.03461	5.2
83.04979	3.5
85.02966	6.3
87.00865	21.4
93.03458	100.0
96.96004	8.3
104.04956	3.7
111.00894	11.4
111.04496	13.4
132.75398	4.1
133.02957	4.5
134.03722	8.9
135.04527	20.6
149.06001	4.7
155.03467	4.7
161.02521	4.1
173.04562	65.4
178.02687	7.0
179.03563	6.8
191.05620	48.5
215.05447	3.8
257.08133	4.7
289.18173	6.0
307.19019	8.5
351.07220	4.0
449.14566	49.4
579.27374	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	579.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
57.03445	2.1
58.00594	1.3
59.01383	26.8
61.98822	1.1
67.83183	0.6
71.01385	26.3
71.12740	0.6
71.13066	0.9
71.54062	0.6
72.99306	1.4
73.02956	6.3
83.01385	3.3
85.02956	7.0
85.21859	0.6
87.00873	2.7
89.01929	1.3
89.02453	20.4
93.03462	1.2
96.96011	7.5
97.02964	1.4
99.00895	3.8
101.02445	18.1
109.02915	0.8
111.00912	2.8
113.02443	6.7
115.03994	0.7
119.03507	1.9
125.02473	1.9
131.03506	8.9
135.23143	0.6
137.02463	0.7
143.03467	1.0
149.04564	4.0
151.00339	1.6
155.88583	0.6
161.04535	1.7
166.02698	3.7
181.05115	6.3
182.05438	0.6
191.03761	0.7
191.05612	4.8
209.04390	0.8
225.14969	2.5
233.06610	1.8
245.07230	0.7
251.05656	1.1
293.08902	0.6
387.11005	1.1
387.20285	9.5
417.15564	10.4
418.15643	0.8
519.24457	100.0
520.24884	6.7
520.85370	0.8
535.14532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2085
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
55.71664	0.4
57.03445	1.2
58.70575	0.4
59.01377	4.8
68.99829	0.7
69.40231	2.0
69.40638	0.8
71.01391	3.1
72.99343	0.5
73.02944	1.1
75.00847	1.3
79.95750	1.4
81.03456	0.6
84.92188	0.4
85.02520	0.4
85.02961	2.5
89.02448	1.7
93.03458	1.7
96.96012	17.2
99.00882	0.5
99.04512	1.1
101.02442	5.4
103.00374	0.8
109.02948	1.7
111.00897	1.1
111.04487	0.7
113.02450	1.3
119.03494	0.7
119.05018	0.5
121.02930	0.6
123.00900	1.6
123.04501	0.7
124.01689	0.6
125.02428	1.2
132.02165	0.9
133.02959	1.0
134.03758	0.9
135.04524	1.3
137.02446	7.7
139.03998	2.2
143.03517	0.4
145.02969	0.6
149.02483	0.8
150.99174	0.8
151.00366	13.9
151.03999	1.2
152.01137	1.5
152.04811	2.7
152.98683	0.4
155.03490	0.4
159.50417	0.4
160.01656	3.0
161.02441	5.2
161.04507	2.9
163.03964	1.0
164.04779	0.4
164.98692	0.5
165.01918	0.8
166.02710	46.2
167.03473	2.5
169.08472	0.4
173.04526	1.9
175.03992	3.0
176.18851	0.4
177.01880	2.8
177.05595	0.4
179.03508	1.6
179.05560	1.0
181.05063	65.1
182.05405	1.3
184.03775	0.6
187.07593	1.0
190.06386	1.0
191.03854	0.8
191.05624	4.6
192.04243	0.7
192.05911	0.5
192.99539	0.4
193.05046	2.2
205.04993	1.0
205.08749	1.0
207.06660	1.2
219.06613	0.5
223.06287	0.4
235.06186	0.6
241.00243	0.8
241.07202	3.2
257.08167	1.1
296.08917	1.3
300.02802	0.9
316.09412	0.6
359.11301	1.4
377.08841	0.6
387.10779	12.1
387.15475	0.7
402.13147	7.8
403.13422	0.7
417.15527	100.0
418.15839	5.9
493.17450	8.3
535.18488	4.2
579.17401	7.7
579.29956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16185	0.9
55.01884	1.4
55.11700	0.8
58.05667	0.8
59.01381	25.1
63.57572	0.9
67.01890	9.5
68.33473	0.7
68.99818	8.7
70.20010	0.8
70.80756	2.4
71.01384	22.5
72.99274	1.6
73.02937	2.6
75.00870	1.1
78.95892	1.0
79.95728	1.1
81.03441	1.0
82.71270	0.8
83.01379	1.7
85.02950	3.0
87.00880	7.6
87.04546	1.0
89.02446	94.5
93.03452	2.8
95.92803	0.8
96.96014	14.4
98.95599	0.9
99.00864	1.1
99.04549	2.1
101.02450	41.1
109.02959	5.8
111.00892	12.4
113.02464	4.0
119.03522	4.7
120.83743	0.8
120.99664	1.4
121.02987	6.4
123.04523	1.1
127.04016	58.3
131.03542	5.6
133.02940	2.3
133.05074	45.0
133.06564	1.8
135.04469	1.1
137.02478	1.0
139.03992	2.9
143.03500	1.5
145.02980	1.5
149.02483	1.5
149.04556	18.5
151.04039	0.8
152.99593	0.8
161.02429	7.9
161.04501	1.6
163.03981	2.2
164.22993	0.7
165.05580	1.4
173.00894	2.0
173.04497	1.6
177.05582	3.1
179.03363	1.4
179.05571	2.3
181.05048	1.1
191.03505	8.8
191.05600	14.1
193.05064	6.8
193.97003	0.8
195.06581	1.8
197.89142	0.7
205.05074	3.4
209.04381	1.2
223.06091	7.5
241.07175	100.0
242.07556	1.3
293.08713	1.1
311.09760	1.6
337.09149	1.8
403.12430	42.5
404.12799	2.2
519.17218	1.2
519.24414	3.2
553.12360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.6
60.99284	0.8
61.98816	1.8
67.01908	0.7
68.99815	31.3
69.03450	1.0
69.32582	2.3
69.33005	3.2
71.01385	11.1
72.99309	1.0
73.02942	2.4
74.94840	0.7
75.00896	0.9
78.95889	3.5
79.95736	2.7
80.81655	0.7
83.01392	1.4
85.02959	3.8
87.00887	2.5
88.01701	0.9
88.98804	5.9
89.02438	11.3
90.87639	0.7
93.03440	3.0
96.96009	100.0
96.96893	4.6
99.00887	2.9
101.02438	82.9
102.02784	0.8
105.03455	4.2
111.00889	4.9
111.04524	2.0
112.38513	0.7
113.02457	2.5
119.03527	1.2
119.05010	2.0
123.04520	63.9
124.04809	1.0
125.02397	1.4
127.03994	2.1
131.03525	3.0
133.02945	1.1
133.05043	1.2
135.04468	0.8
137.06033	0.7
141.06735	0.8
143.04602	0.8
147.04492	8.3
147.93228	0.9
149.04526	6.5
149.05637	0.9
149.06065	0.8
152.99625	1.6
161.04623	1.3
167.57309	0.7
171.10248	1.2
173.04530	1.2
175.03952	1.8
179.03415	0.9
181.04962	1.3
191.03670	1.3
191.05600	14.3
193.05130	0.9
206.25803	0.7
207.06616	10.7
225.07664	55.8
226.07994	2.2
233.06718	0.9
241.07051	1.8
259.61063	0.7
272.08707	0.8
293.08603	1.2
338.10965	0.7
373.82895	0.7
387.16351	1.1
394.97458	0.7
403.12497	1.4
420.13715	0.8
437.38333	0.9
487.14462	1.4
489.16925	1.4
491.26169	0.9
519.17114	18.0
519.24524	8.9
579.19641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95641	0.2
57.79930	0.2
60.60920	0.2
60.63345	0.2
61.98829	100.0
70.92309	0.4
71.01387	1.1
78.98602	0.9
79.95733	1.5
80.96514	9.2
85.02971	0.3
87.00888	0.4
94.98081	1.7
96.96023	0.6
101.02463	0.4
106.98086	0.3
122.97588	0.5
125.02451	0.4
134.97653	0.7
136.99100	0.3
148.99208	0.9
152.98663	0.9
158.86865	0.2
164.98630	1.8
196.60007	0.2
206.99695	0.3
215.51353	0.2
225.00781	1.8
225.11461	0.3
234.74350	0.2
245.13354	0.2
248.66710	0.2
279.23285	0.7
280.23737	1.0
281.24094	0.2
299.04541	0.7
315.54120	0.2
512.07922	0.2
569.68738	0.3
579.28333	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	579.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93095	1.0
55.01868	2.1
57.03457	6.9
57.35799	1.1
59.01384	43.2
59.13145	1.0
65.00320	1.3
66.71937	1.0
67.01891	10.7
67.34806	1.0
68.99816	13.1
71.01387	34.6
71.10110	1.9
71.10448	2.1
72.08602	1.0
72.99282	2.2
73.02948	7.6
75.00875	8.1
79.95747	6.6
80.96539	2.1
81.03483	2.2
82.95406	3.9
83.01384	4.8
85.02952	16.0
87.00877	3.1
89.02450	18.0
93.03468	5.7
95.01385	2.9
96.96014	100.0
99.00883	3.9
99.04521	4.8
101.02447	49.8
103.00384	6.5
105.03452	1.2
107.01402	2.8
109.02951	8.3
113.02465	12.5
117.03464	3.8
119.03517	6.1
119.05026	4.7
121.02946	5.8
123.04538	2.3
125.02473	2.3
127.04016	41.2
129.01886	1.0
132.02170	15.6
133.02966	11.1
133.06563	1.3
134.03746	23.5
135.04526	5.4
137.02432	4.4
139.03981	1.7
139.30402	1.1
143.03467	2.0
145.02960	2.3
147.04538	2.9
149.02521	1.5
149.04541	1.1
149.06056	3.8
151.00383	13.0
151.03961	2.2
152.41963	1.0
152.98663	1.0
155.03467	1.4
160.01657	55.7
161.02452	24.0
161.04549	9.7
162.02762	1.2
162.05157	1.2
163.03989	1.6
164.98636	3.5
165.05557	2.5
166.02715	18.2
167.03535	1.8
173.02469	1.7
173.04530	3.7
173.05954	1.6
175.04010	50.2
176.04741	6.3
177.01932	2.7
177.05562	4.0
178.02657	1.8
179.03470	4.3
179.05582	1.7
180.98192	1.4
181.05066	22.1
187.07634	2.8
191.03535	7.9
191.05603	14.9
191.07185	5.2
192.05907	1.2
193.05038	40.8
195.06480	1.2
205.05042	3.6
207.06686	4.9
223.06105	8.5
224.06920	2.1
227.06944	1.3
235.06110	23.2
241.00221	6.6
241.07182	26.6
255.03134	1.0
257.08145	3.0
265.07108	5.4
271.06061	5.4
271.27124	1.1
295.08307	7.3
296.08978	5.9
337.09329	2.5
355.10461	1.6
387.10693	4.9
402.13174	2.7
417.15631	34.8
417.24585	10.1
475.16382	1.8
493.17514	54.5
519.31714	1.5
535.18542	32.1
536.19171	2.3
547.14392	2.3
561.16083	2.3
579.17334	83.1
579.30182	61.9
580.17566	4.5
580.30560	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85521	0.3
59.01375	0.5
61.98832	100.0
66.75322	0.3
69.21651	1.5
69.22065	0.8
71.01384	0.7
73.02945	0.3
78.98582	0.5
79.95744	1.3
80.96519	8.0
85.02979	0.5
92.23299	0.3
94.98103	1.9
101.02477	0.3
122.97600	0.6
125.02455	0.3
134.97627	0.5
148.99144	0.6
152.98665	0.9
161.17781	0.3
164.98587	1.4
169.84636	0.2
182.99782	0.3
206.99806	0.6
225.00719	2.0
237.82437	0.3
279.23373	0.9
280.23734	1.0
281.23959	0.4
337.20239	0.3
579.28485	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65559	1.0
59.01390	1.9
60.99315	14.0
61.98835	4.1
67.21835	1.0
71.55454	1.7
87.00866	2.4
88.00420	2.6
88.98812	100.0
89.02451	9.8
93.03460	1.5
112.60818	1.1
134.24675	1.0
161.04514	1.1
191.05615	1.9
335.43497	1.2
452.82318	1.3
487.34201	7.9
488.34540	1.7
501.32220	1.3
559.30676	2.2
577.23663	2.4
577.32086	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	577.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.1
63.13452	0.8
71.01387	2.1
71.56323	0.8
73.02959	1.1
75.82301	0.6
79.77509	0.6
83.01363	0.7
83.04976	0.6
87.39001	0.6
89.02441	1.6
96.61861	0.6
101.02451	2.6
109.06592	2.8
113.02444	1.3
119.03658	0.6
131.16582	0.6
163.11295	2.2
181.12384	0.6
188.25621	0.8
195.13910	3.0
207.10295	5.2
225.11307	3.8
235.08253	1.9
253.09323	12.0
277.21664	2.2
281.24860	100.0
282.25156	4.0
293.21686	0.7
295.22757	13.9
295.25919	1.1
299.15027	1.3
324.78845	0.8
429.29922	1.6
456.73911	0.7
517.33551	0.7
535.01300	0.7
577.37415	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18366	0.4
53.34927	0.4
58.88337	0.4
59.01388	0.8
61.98830	99.2
62.98561	1.1
63.96231	1.0
71.01384	6.6
73.02939	1.1
78.98587	5.6
79.56703	0.4
79.95740	9.4
80.96519	60.6
85.02966	2.8
87.00885	2.3
94.98090	15.7
96.96021	1.3
97.02962	1.6
99.00887	0.9
101.02437	1.7
106.98092	2.8
113.02400	0.5
122.97571	2.6
125.02456	2.4
125.13300	0.5
127.03991	0.8
134.97572	3.8
136.99123	1.2
141.19266	0.5
148.99146	5.8
152.98639	5.1
157.75174	0.4
164.98625	11.5
206.99626	2.0
225.00751	13.3
277.21695	1.8
299.04428	2.7
339.83737	0.5
577.26849	100.0
578.27100	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	577.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41516	8.6
59.01378	21.2
61.98831	100.0
70.75513	31.3
87.00890	11.3
93.03428	20.6
96.95984	17.5
135.04515	29.7
151.03990	12.5
191.05606	41.0
251.02873	10.7
372.80511	10.6
414.26089	10.4
452.55392	11.0
545.79114	10.0
577.29144	14.3
594.22253	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	577.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93608	0.3
57.00103	0.3
57.03448	2.4
59.01383	1.6
61.98854	0.3
67.01894	4.4
68.99819	0.6
71.01386	1.9
71.55351	0.3
72.99316	0.4
85.02951	2.8
87.00878	10.3
89.02473	0.7
90.72079	0.3
93.03473	0.8
96.96021	0.5
99.00877	0.4
101.02460	2.0
111.00885	100.0
112.01222	1.1
112.98821	0.8
113.02455	0.4
115.00381	0.4
119.03472	0.3
121.02945	0.6
127.04045	0.6
129.01949	1.1
153.60745	0.2
154.99811	0.4
155.03630	0.2
161.02475	0.5
165.05547	0.3
173.00909	10.7
173.04520	0.6
173.08151	0.4
191.03537	0.7
191.05591	3.3
192.05797	0.3
193.05049	0.8
203.80161	0.2
205.05093	0.3
228.29350	0.3
241.07249	1.9
350.73495	0.3
515.14227	0.4
541.12311	0.3
560.12970	0.3
577.13922	16.2
578.14490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73063	0.4
59.01365	1.4
60.09258	0.3
61.98839	2.0
63.96238	1.2
65.45792	0.4
69.03458	0.6
71.01382	7.0
71.53518	0.5
73.02944	1.4
76.03326	0.3
78.98588	5.5
79.25492	0.3
79.95739	9.4
80.96516	62.8
81.03450	0.7
83.01373	0.5
85.02957	2.4
87.00874	2.4
94.97478	0.7
94.98084	13.5
96.96000	0.7
97.02937	1.6
99.00876	0.7
99.04528	0.4
101.02457	1.9
106.98082	2.9
109.73943	0.4
122.97564	5.4
125.02439	2.4
127.04017	1.0
134.97591	3.9
136.99138	1.4
148.99138	6.1
152.98639	6.7
156.74072	0.4
164.98624	10.7
167.00183	0.5
182.99675	2.0
188.98611	0.4
206.99684	2.5
225.00731	15.4
225.02963	0.7
243.01631	1.1
277.21667	1.5
279.13574	0.4
279.23248	1.5
299.04395	3.0
397.61987	0.4
504.30862	0.6
577.26843	100.0
578.27222	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	577.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41739	0.2
57.03448	2.0
59.01379	0.6
63.66751	0.2
67.01540	0.1
67.01887	3.6
68.99809	0.4
69.36206	0.7
69.36612	0.5
71.01394	0.6
73.85378	0.2
78.95934	0.2
83.01393	0.3
85.02958	1.9
87.00884	6.2
88.98836	0.2
89.02460	0.4
93.03468	0.4
96.96026	1.8
101.02458	0.7
111.00888	100.0
111.81094	0.2
112.01239	0.8
112.98817	0.4
121.02972	1.0
124.63033	0.2
127.04020	0.6
129.01930	1.0
139.03981	0.2
142.99896	0.3
154.99866	0.5
161.02438	0.2
173.00919	12.3
191.01987	0.4
191.03856	0.3
191.05600	1.9
192.97388	0.2
209.04524	1.0
221.21300	0.2
233.32584	0.2
241.07195	1.1
541.15521	0.2
577.14069	6.2
578.14417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99183	0.3
59.01377	15.6
60.12531	0.3
64.18919	0.3
69.26077	1.0
69.26503	1.3
71.01383	2.6
72.58830	0.2
73.02935	0.8
75.02109	0.2
83.01375	0.3
85.02938	0.6
87.00874	0.5
89.02435	3.1
90.68481	0.3
95.01434	0.3
97.50381	0.2
101.02450	2.5
113.02444	1.3
113.89248	0.2
119.03484	1.3
125.61344	0.3
133.05067	0.4
137.99159	0.2
149.04489	0.3
161.04564	1.2
177.99609	0.3
179.05513	0.5
235.08179	1.3
245.25339	0.3
253.09267	12.6
279.23270	100.0
280.23602	3.5
439.55389	0.3
441.33508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.8
61.98824	0.5
69.41296	1.5
71.01373	2.5
73.02953	0.6
78.95918	0.3
83.01383	0.3
85.02943	0.7
87.00872	0.3
89.02450	2.1
98.19862	0.4
99.00892	0.2
101.02448	2.7
113.02441	1.1
119.03489	0.7
133.05032	0.2
143.03436	0.4
161.04539	1.0
179.05598	0.4
191.05629	0.5
209.11861	0.4
235.08234	1.8
253.09276	13.7
254.09419	0.3
261.22369	0.3
279.23270	100.0
280.23621	3.6
291.19678	0.5
293.21210	0.2
294.38123	0.2
344.10703	0.2
515.32458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.7
58.66810	0.1
59.01394	1.0
59.83549	0.2
64.30476	0.1
67.01895	3.1
68.99568	0.1
71.01393	0.4
83.01398	0.4
85.02937	0.9
87.00881	9.5
89.02451	0.3
92.46440	0.1
93.03455	0.4
96.95999	0.7
98.20758	0.4
99.00835	0.2
101.02458	0.3
102.97224	0.1
111.00887	100.0
112.01244	0.8
129.02042	0.1
135.04582	0.2
154.99883	0.3
161.02502	0.2
161.04425	0.2
173.00916	14.4
191.05624	1.0
228.56891	0.2
229.51436	0.2
233.78050	0.2
243.06630	0.4
537.16730	0.2
550.31329	0.2
573.25623	6.9
574.25781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77353	53.3
64.34172	68.3
65.80582	58.6
71.45694	100.0
74.13562	50.9
82.76003	52.9
89.89034	49.9
96.95966	62.8
124.12222	58.0
129.53314	64.6
300.50204	75.3
307.60577	84.0
329.51453	71.6
430.98740	91.7
459.92432	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.25813	0.8
71.01413	0.1
93.69293	0.1
135.04486	0.1
187.78841	0.1
191.05655	0.2
199.90833	0.1
254.05426	0.1
260.47833	0.1
286.06302	0.1
384.94144	0.1
561.06494	0.1
573.76971	0.1
601.29388	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	573.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86210	0.1
57.03450	1.8
59.01381	1.1
61.98834	2.1
67.01893	3.0
68.99569	0.3
71.01382	0.5
71.09957	0.4
75.00888	0.2
81.00614	0.1
83.01398	0.4
85.02951	0.7
87.00883	7.9
89.02441	0.2
93.03468	0.5
96.96010	0.5
101.02453	0.3
109.94288	0.1
111.00885	100.0
112.01231	1.2
112.98582	0.3
113.02435	0.2
120.97751	0.1
130.99924	0.2
133.02948	0.2
135.04523	0.4
154.99786	0.2
161.02452	0.4
171.26582	0.1
173.00909	11.7
174.01225	0.2
179.03497	0.2
191.05629	1.4
248.89154	0.1
276.47006	0.1
354.09601	0.2
551.26410	0.2
573.17004	0.2
573.25427	3.0
574.25476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37251	0.1
53.54453	0.1
54.65337	0.1
57.03450	1.7
59.01367	0.6
67.01896	3.5
71.01392	0.3
71.55537	0.2
83.01394	0.2
85.02937	0.3
87.00882	5.9
96.96012	1.0
98.95580	0.8
100.32816	0.2
111.00889	100.0
112.01233	0.9
115.07336	0.2
132.29573	0.2
152.01154	0.2
154.99950	0.3
164.95416	0.2
173.00922	12.4
191.05643	0.4
201.61510	0.2
296.54974	0.2
340.19946	0.2
461.29645	0.2
468.78506	0.2
487.07806	0.7
513.30817	0.2
529.08636	0.3
531.32141	0.2
573.25775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
59.01384	1.2
61.98824	0.7
67.01896	3.1
69.63904	1.0
71.01407	0.4
83.01407	0.4
85.02946	0.8
87.00880	8.0
87.56998	0.1
89.02420	0.2
93.03464	0.2
96.96029	1.6
98.19909	0.3
99.00901	0.2
101.02454	0.2
111.00886	100.0
112.01216	0.8
113.02410	0.3
124.59156	0.2
150.03343	0.1
154.99889	0.3
161.02411	0.3
173.00908	13.4
191.05618	1.0
261.52560	0.1
436.80814	0.2
492.23453	0.2
549.77289	0.2
573.15674	0.4
573.25507	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	573.255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43211	0.1
57.03451	1.6
59.01371	0.5
61.98846	0.1
67.01887	3.5
70.67687	0.4
71.01427	0.2
77.40919	0.2
83.01388	0.3
85.02961	0.4
87.00876	6.8
89.02435	0.2
93.03452	0.2
96.96017	0.5
101.02454	0.4
111.00881	100.0
112.01227	1.0
135.04527	0.2
144.16475	0.1
154.99873	0.3
170.27307	0.1
173.00906	13.1
191.05637	0.4
201.40068	0.2
216.44614	0.1
227.99260	0.2
245.25737	0.2
272.83722	0.1
491.73157	0.2
573.25531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06904	0.6
57.03451	0.8
58.00596	0.7
58.91137	0.5
59.01386	19.3
60.11905	0.5
61.27195	0.5
69.03463	0.7
71.01384	10.8
71.53553	0.8
72.99335	0.9
73.02943	0.7
78.95926	1.1
81.03452	2.0
83.01395	1.4
83.05015	3.1
84.02127	0.5
85.02953	4.9
87.00883	1.6
89.02444	14.7
90.06744	0.5
95.60265	0.5
96.96040	0.7
96.96964	0.8
97.02914	0.7
98.04327	0.6
101.02429	7.1
107.05046	1.5
109.02952	4.4
111.04512	1.9
113.02444	3.4
119.03513	5.1
119.05015	0.8
121.06596	5.6
123.04531	4.1
127.04015	4.7
137.06120	1.0
141.05527	1.3
149.06085	9.1
161.04575	0.7
167.03508	1.6
167.07146	10.0
167.86404	0.5
177.75098	0.5
179.05611	1.3
185.08197	9.3
191.05502	1.1
193.05057	1.6
211.06142	1.3
229.07204	5.9
231.08694	1.0
391.12454	100.0
392.12689	4.3
441.55328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64830	0.1
61.98829	100.0
63.93917	0.1
69.35513	0.5
69.35931	0.8
79.85132	0.2
104.23540	0.1
133.22015	0.2
158.05658	0.1
165.53825	0.2
188.32445	0.1
479.03326	0.2
578.60065	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76990	0.3
57.03451	1.6
59.01388	4.0
59.03326	0.3
61.98832	2.5
63.03040	0.3
64.48383	0.3
71.01389	4.2
71.55193	0.5
72.99300	0.5
73.02934	0.8
75.00876	0.9
79.95748	4.8
80.96516	1.7
83.01366	0.6
85.02948	4.0
87.00862	1.0
89.02432	1.6
93.03479	1.6
95.95226	1.2
96.96017	100.0
97.02946	0.6
99.00880	1.7
101.02454	1.7
109.02944	0.5
111.00894	0.4
113.02440	0.7
115.04019	1.2
119.05029	0.4
120.99638	0.4
125.02471	0.4
129.01964	2.6
131.03487	0.4
135.04514	1.1
137.02438	1.0
137.06050	0.4
138.97067	1.4
149.04587	0.5
150.13844	0.3
150.97050	0.8
152.98628	1.0
159.02985	0.3
161.02435	1.4
161.04572	0.4
163.04012	0.5
168.98143	1.5
173.04504	1.0
175.03999	0.4
176.98593	0.6
177.04056	6.4
179.03494	0.6
180.98097	0.5
185.08189	0.5
191.05603	5.1
192.05894	0.6
194.99661	1.0
203.09152	0.4
207.02960	0.7
213.00728	0.5
227.52588	0.3
241.00192	2.2
256.99725	31.3
258.00089	0.5
277.05423	0.4
279.73865	0.3
316.69861	0.4
335.05389	0.3
339.04871	0.3
343.72238	0.4
395.13910	0.6
537.24963	0.8
573.18536	83.4
574.18970	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.9
65.03964	0.7
69.03426	0.4
69.39054	2.6
69.39470	0.8
71.01381	1.2
79.95729	3.0
80.96514	1.7
85.02950	0.9
87.00871	0.5
88.98783	0.5
91.01900	6.8
96.96017	100.0
99.04451	0.4
101.02457	0.6
103.00373	6.2
109.02963	8.9
111.00900	1.5
113.02470	0.7
122.97598	0.5
125.02431	0.5
133.02956	1.0
134.97583	0.9
135.00887	21.9
138.97093	1.4
143.03644	0.7
149.02484	0.6
151.04027	0.9
152.98659	5.5
153.01945	42.9
164.98645	1.2
167.84779	0.4
173.04582	0.6
175.60538	0.4
177.01939	11.5
180.98119	1.0
191.05609	1.9
194.99785	0.6
220.42372	0.5
222.99127	1.9
241.00240	35.4
283.01297	9.3
308.99274	5.5
327.00229	2.1
339.07040	0.9
359.00800	0.8
377.01852	14.8
385.75726	0.4
408.25195	0.5
419.02917	15.5
463.01910	12.9
464.02118	0.5
485.07584	22.5
527.08704	17.9
528.08826	1.0
553.06830	1.2
571.07678	21.8
571.17059	0.7
572.07660	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	18.8
67.01937	2.5
68.99829	3.7
69.38131	18.6
71.01384	17.1
73.02954	3.1
78.97911	2.4
85.02927	4.7
87.00873	2.8
89.02451	26.7
96.95453	4.5
96.96026	53.2
98.19917	4.0
99.00874	5.6
101.02465	22.7
113.02464	12.6
121.02962	7.7
127.03986	13.0
141.68983	2.6
149.04555	23.4
161.04590	5.5
165.05513	3.5
177.05659	4.5
191.05641	10.5
195.06581	2.6
205.05040	3.3
221.06680	3.4
221.11911	3.5
223.06047	3.2
241.07162	19.8
251.07710	3.8
293.08664	5.1
311.09808	4.6
373.11398	43.0
469.40396	2.7
511.23856	3.1
533.22168	6.9
535.16626	40.0
535.23755	3.7
571.13568	100.0
572.14642	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	570.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01385	1.8
61.98834	100.0
71.01403	1.2
71.56226	0.5
73.02923	0.3
78.95914	0.5
79.95729	0.3
85.02951	0.7
87.00882	0.3
87.04517	3.0
87.04897	0.3
88.04882	0.6
93.03474	0.8
94.16159	0.3
96.96023	2.7
101.02451	0.9
111.00889	2.0
135.04561	0.6
156.22226	0.3
156.31712	0.3
161.02461	0.4
171.10332	0.4
173.00940	0.3
173.04622	0.8
179.03499	0.4
185.19933	0.3
191.05632	3.8
236.35393	0.3
343.24860	0.3
352.84869	0.3
388.91034	0.3
397.06445	0.4
473.03082	0.4
485.44260	0.3
489.22525	0.6
510.26816	0.9
570.24493	0.4
571.28931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66066	0.3
56.16414	0.3
57.03449	0.5
59.01379	5.6
61.90091	0.4
61.98827	0.7
67.21465	0.4
69.03448	1.3
69.62019	1.7
71.01376	1.0
73.02921	0.7
73.40977	0.3
79.01891	0.8
79.95733	3.7
80.96514	2.6
81.03472	0.3
85.02948	1.5
87.00871	0.7
93.03476	0.5
94.44940	0.3
94.98090	0.3
95.01367	0.4
95.95233	0.4
96.96012	100.0
97.02945	0.4
101.02430	0.6
103.00370	5.0
107.01412	1.7
108.02190	2.5
109.02928	0.8
111.00877	2.2
113.02457	0.4
120.95994	0.4
121.02945	0.5
123.00848	0.4
125.02454	1.1
133.03049	0.4
134.97581	1.0
135.00883	3.9
135.04501	0.5
136.77568	0.4
138.97075	1.4
150.03198	0.9
151.04134	0.4
152.01147	6.5
152.98628	3.5
153.01926	2.6
164.98634	3.8
166.96635	0.4
177.01878	1.0
180.98065	1.1
191.05602	1.0
194.99678	0.6
222.99161	1.2
241.00226	31.9
242.00658	0.5
243.06590	2.6
254.09091	0.4
283.01273	8.2
297.06354	0.4
304.80432	0.4
339.49368	0.4
359.00775	0.6
375.03589	0.4
377.01837	20.7
378.02298	0.5
419.02902	8.1
463.01703	1.3
485.07584	41.0
486.07935	2.2
487.71457	0.4
527.08643	29.2
528.08734	1.3
553.06458	1.7
570.38708	0.6
571.07532	22.6
572.07928	1.4
576.63922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01385	1.8
61.98834	100.0
71.01403	1.2
71.56226	0.5
73.02923	0.3
78.95914	0.5
79.95729	0.3
85.02951	0.7
87.00882	0.3
87.04517	3.0
87.04897	0.3
88.04882	0.6
93.03474	0.8
94.16159	0.3
96.96023	2.7
101.02451	0.9
111.00889	2.0
135.04561	0.6
156.22226	0.3
156.31712	0.3
161.02461	0.4
171.10332	0.4
173.00940	0.3
173.04622	0.8
179.03499	0.4
185.19933	0.3
191.05632	3.8
236.35393	0.3
343.24860	0.3
352.84869	0.3
388.91034	0.3
397.06445	0.4
473.03082	0.4
485.44260	0.3
489.22525	0.6
510.26816	0.9
570.24493	0.4
571.28931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3457
Annotation	Ganoderic acid P
Peak:m/z	Relative Intensity
59.01368	1.9
61.98830	12.6
62.68677	0.5
64.63084	0.4
69.58044	3.0
80.91689	4.0
85.55618	0.5
89.34179	0.5
93.79534	0.5
96.96008	0.7
98.20619	1.1
103.23221	0.5
107.75608	0.5
126.89276	0.5
153.96535	0.5
160.08342	0.5
201.65311	0.5
267.79092	0.7
286.53375	0.5
299.48190	0.5
396.46747	0.5
439.32172	0.9
457.33215	2.5
461.30380	1.2
469.33569	3.1
473.12582	0.6
487.34283	100.0
488.34680	5.6
491.31760	3.5
493.29300	0.7
505.29233	0.9
509.32275	11.3
535.30286	3.3
553.31445	5.2
569.34528	57.4
570.34772	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	570.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.26107	0.7
69.26532	0.4
70.04103	0.1
71.27399	0.1
72.96086	0.1
73.81466	0.1
89.88084	0.1
96.96046	0.3
98.19850	0.2
109.84487	0.1
146.36433	0.1
162.58952	0.1
190.23073	0.1
207.10474	0.2
227.20712	0.1
489.36115	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86166	0.2
59.01380	0.4
61.98812	0.3
71.01385	0.4
72.00912	11.2
89.02449	0.4
91.05550	0.6
101.02460	1.1
103.05563	1.0
119.05009	0.5
127.04011	1.7
147.04526	37.0
148.04893	0.9
164.07164	100.0
165.07539	2.0
241.07185	3.6
317.50177	0.3
403.12302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97258	0.1
52.49354	0.1
59.01382	0.4
61.98833	100.0
69.27520	0.9
69.27923	0.4
71.01401	0.4
73.02950	0.1
78.90590	0.2
80.14972	0.2
83.01413	0.1
85.02961	0.4
88.98820	0.2
93.03477	0.5
94.03816	0.2
95.54057	0.1
96.96033	0.3
101.02464	0.4
109.02968	0.2
116.92921	0.3
120.99685	0.2
134.03748	0.3
137.02464	1.2
138.02838	0.2
138.05649	0.6
150.42311	0.1
161.04648	0.2
173.04651	0.2
175.04053	0.3
176.04526	0.3
187.00529	0.1
191.05637	0.8
191.07220	0.2
193.05173	0.3
236.06544	0.2
308.44980	0.1
392.12924	0.2
468.04779	0.2
507.26987	0.2
508.27545	0.7
568.17560	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	9.1
73.02948	49.0
75.09933	0.6
77.38635	0.6
80.39037	0.6
97.02982	0.7
122.47065	0.9
133.25919	0.6
204.86778	0.7
219.11142	0.7
267.68768	0.7
357.32343	0.7
367.26285	1.4
405.31479	1.6
421.30945	1.5
423.32504	2.3
441.30093	5.7
462.56995	0.8
467.31793	1.8
485.32715	100.0
486.33099	6.2
567.32965	43.8
568.33459	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45757	1.1
57.03436	3.6
59.01379	65.7
61.98829	17.4
64.76643	1.0
67.82601	1.0
68.06310	1.1
69.06554	1.1
71.01380	22.9
71.10369	2.3
72.99304	1.9
73.02941	8.2
75.00886	1.4
79.95715	1.2
80.96514	2.9
83.01380	3.5
83.94418	1.0
85.02952	15.7
87.00869	3.0
88.79579	1.1
89.02444	7.9
93.03448	3.1
95.01373	2.6
96.96011	11.2
97.02975	1.7
98.95562	3.2
99.00879	3.7
101.02440	19.5
111.00860	2.8
113.02443	9.0
119.03534	1.4
119.04940	1.3
132.27684	1.1
133.03064	1.9
135.04530	1.7
137.02463	1.4
151.00401	1.4
159.03041	2.6
161.02449	1.7
161.04594	8.4
173.04462	1.7
177.11890	1.1
179.03467	1.8
179.05589	1.4
191.05620	9.5
215.07158	1.3
243.66173	1.1
345.29950	7.5
397.86230	1.1
470.12033	1.8
481.20389	6.5
485.72986	3.8
507.35318	100.0
508.35672	4.2
523.20929	3.0
566.89545	1.2
567.18878	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	5.0
59.01379	33.0
61.98826	26.6
71.01379	11.3
73.02901	4.6
79.84635	2.3
79.95709	7.2
81.95262	3.7
82.96047	2.8
85.02912	7.4
87.00832	5.2
87.61353	2.1
88.43261	2.1
89.02395	7.7
93.03452	17.7
96.96011	77.7
98.53806	2.0
98.95544	59.0
98.96373	12.0
99.00858	3.7
101.02384	8.1
103.00356	10.5
113.02435	4.7
115.92075	21.2
116.92886	10.8
117.03474	13.2
119.04962	7.7
133.02913	4.7
135.04425	6.6
137.02400	3.9
145.01927	3.4
145.02948	56.7
149.04465	2.5
161.02301	8.3
161.04492	3.1
163.03899	8.7
169.06468	2.8
173.04442	8.6
177.01833	5.7
179.03438	5.4
179.10693	5.8
191.05603	24.7
195.13885	2.5
205.12288	3.4
213.05566	15.8
241.00150	2.7
271.02109	2.8
299.02060	2.3
307.08258	10.5
463.72430	2.4
479.18881	7.3
480.19803	10.5
481.19562	91.9
482.19510	4.3
487.19202	9.1
513.21210	10.4
521.19800	3.0
523.20667	49.9
531.22351	30.0
567.19037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53777	0.4
56.57957	0.5
59.01384	17.1
59.89302	0.5
61.61161	0.5
61.61746	0.5
61.98835	5.7
71.01392	3.0
73.02967	0.6
75.56596	0.5
79.95749	7.0
80.96523	12.8
81.95350	0.6
82.90300	0.4
85.02944	1.6
87.00874	0.7
88.98818	0.5
92.87628	0.4
93.03467	1.2
94.98080	0.4
96.96017	88.7
98.95598	3.6
101.02433	1.7
103.00384	9.0
113.02479	0.5
137.02437	0.6
138.97099	1.2
150.97058	0.5
152.98639	1.8
164.98633	2.3
173.04626	0.5
180.98138	1.7
191.05606	2.7
197.14400	0.5
198.99190	1.1
209.11731	0.5
241.00279	5.8
245.94836	0.6
397.25906	0.5
441.29834	1.4
463.20181	3.4
470.11914	1.6
481.21106	100.0
482.21332	5.0
485.32968	0.7
523.22131	42.4
524.22241	2.5
549.20209	1.7
567.20923	91.6
568.21191	6.1
586.28363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67542	0.4
59.01380	3.6
61.50355	0.3
61.98832	10.5
63.99267	0.6
65.03970	3.5
65.44081	0.3
67.01888	1.8
69.20753	0.9
69.21158	2.5
71.01388	2.9
72.99319	0.4
73.02962	0.4
73.29422	0.3
85.02949	1.3
87.00869	0.4
89.02454	3.2
91.01898	21.3
93.03459	1.6
96.49993	0.4
96.96015	2.2
97.02964	0.4
98.95600	0.4
101.02461	2.6
103.00378	0.9
107.57370	0.3
108.02189	0.6
109.02959	24.3
113.02491	1.2
115.92094	2.5
116.92851	2.8
117.92896	0.9
118.63287	0.3
118.92665	0.6
119.03516	1.6
120.99673	0.9
121.02951	0.6
125.02456	1.1
133.02937	0.6
134.03741	0.4
135.00891	65.8
135.04468	2.2
136.01280	0.5
136.04915	0.7
137.02469	1.6
139.03993	0.4
143.03500	0.4
151.03964	0.5
153.01944	100.0
154.02284	1.2
161.02446	1.5
161.04517	0.8
162.02867	0.4
173.04538	0.7
175.04034	0.4
177.01891	0.6
179.03474	1.2
179.05620	0.7
179.07095	0.5
180.03943	0.6
181.05238	0.4
191.03812	0.6
191.05618	3.2
192.03975	0.3
221.06668	0.8
243.06612	3.6
261.04059	0.4
263.07611	0.6
279.39246	0.4
297.06290	0.7
323.09760	0.8
347.35886	0.4
447.09436	0.4
459.11490	6.0
459.17438	0.6
558.80115	0.4
567.15900	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
61.98831	31.6
63.99281	0.6
65.00343	0.5
65.03959	4.0
67.01898	1.5
69.03460	0.6
69.20860	1.8
69.21295	2.1
71.01393	2.5
73.02946	0.7
74.91292	0.4
75.00887	0.4
82.72212	0.4
84.49937	0.4
85.02973	1.2
85.35529	0.4
87.00845	0.4
89.02442	3.7
91.01898	18.7
93.03460	1.5
96.96002	2.0
97.02954	0.7
101.02446	2.5
103.00406	0.4
105.81364	0.5
108.02192	1.7
109.02954	25.6
113.02451	1.4
115.92119	2.3
116.92863	1.3
118.92787	0.4
119.03509	1.4
119.04990	0.6
121.02965	1.1
122.50593	0.4
125.02489	1.3
131.03482	0.4
133.02950	0.5
135.00890	61.6
135.04475	2.0
136.04858	0.7
137.02455	1.7
151.04083	0.4
153.01939	100.0
154.02309	1.4
158.20117	0.5
161.02423	1.3
161.04515	0.9
162.02803	0.5
163.04047	1.1
177.01949	0.8
179.03534	1.1
179.05664	0.8
179.07144	0.8
191.03577	0.8
191.05624	4.0
194.99696	0.5
195.03030	0.6
197.06038	1.0
207.03062	0.7
221.06696	1.3
243.06584	4.0
264.15314	0.5
297.21814	0.4
323.09833	0.6
382.52371	0.5
459.11429	7.6
507.25711	0.5
567.16156	5.1
573.59589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46283	0.9
55.01863	2.9
57.03435	3.7
58.00588	4.8
59.01382	100.0
61.98833	7.9
63.05154	1.1
69.03459	23.2
70.45352	3.0
71.01385	96.8
72.99304	6.5
73.02952	12.4
75.00904	1.7
75.44153	1.1
79.01891	9.8
81.03466	6.6
83.01383	8.2
84.96690	1.1
85.02948	26.5
87.00887	8.1
89.02448	96.1
89.18591	0.9
92.87069	1.1
93.03447	4.3
95.01376	11.7
96.96002	6.1
97.02953	18.7
98.95585	3.0
99.00883	4.9
99.04562	2.3
99.92631	1.1
101.02450	65.2
107.01396	17.4
108.02177	44.8
109.02969	18.5
111.00877	2.6
113.02452	38.4
115.92085	14.4
116.92853	3.5
118.94453	1.2
119.03506	49.8
119.04945	3.0
121.02973	3.4
123.00870	5.8
123.04552	1.8
125.02449	52.3
131.03493	10.2
133.02966	2.0
135.00888	27.1
135.04483	2.7
137.02428	3.7
139.03999	2.7
143.03503	14.5
145.02974	1.5
149.04611	5.5
150.22931	1.0
151.00369	4.0
152.01158	72.4
153.01942	41.9
155.03450	1.2
161.02409	4.0
161.04550	13.1
163.04056	2.4
167.03494	1.5
173.00951	1.0
173.04524	1.5
177.01863	1.8
179.03362	1.1
179.04050	1.7
179.05624	21.5
191.05589	7.5
195.03021	3.0
197.06056	4.4
213.05418	1.2
221.04529	1.9
221.06657	26.6
242.05858	1.1
243.06630	17.1
245.06693	5.1
253.05000	3.4
255.05066	2.3
263.07721	12.0
285.04297	1.6
310.63095	1.1
315.07214	2.2
323.09833	24.3
459.11435	85.4
460.11707	3.9
481.17505	1.3
495.68481	1.1
506.34232	2.7
545.78198	1.1
567.18707	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48985	0.2
55.71017	0.2
59.01373	1.9
59.01603	0.2
61.98832	1.3
65.00327	0.8
70.86354	0.5
71.01392	0.7
75.00877	0.2
77.03957	0.2
79.95737	0.2
80.02682	0.4
81.03480	0.2
85.02939	0.4
87.00880	0.5
89.02463	0.8
91.01897	11.1
93.03471	0.8
94.31261	0.2
95.01418	0.6
96.96008	3.2
98.95604	1.1
98.96388	0.2
99.92567	0.4
100.93429	0.2
101.02464	0.5
103.88775	0.2
107.01447	0.4
107.05070	0.6
108.02177	15.0
109.02969	3.7
111.00895	1.0
113.02454	0.4
115.92077	3.6
116.92870	1.5
118.94408	0.4
119.03503	0.4
119.05100	0.2
121.02950	0.8
123.00891	4.4
123.01753	0.3
124.01678	0.4
131.28098	0.2
135.00885	11.9
135.04547	0.3
136.01234	0.3
137.02446	3.0
143.03494	0.2
145.02940	0.9
149.02336	0.2
152.01151	15.0
153.01903	0.7
154.81732	0.2
163.04012	0.3
165.01976	0.2
173.04567	0.6
173.05946	0.2
191.05608	1.9
192.05989	0.2
193.05008	0.3
197.06142	1.2
199.07637	0.3
210.97006	0.3
213.05611	1.0
215.07071	0.6
225.05545	0.3
241.05153	0.2
242.05869	0.2
243.06612	100.0
244.06955	3.6
246.59184	0.2
253.05151	0.2
322.96902	0.2
404.87811	0.2
411.36682	0.2
428.07697	0.2
459.11508	1.2
481.17303	1.1
486.23978	0.2
487.06995	0.3
513.21106	0.2
523.19141	0.4
531.22168	0.5
567.17169	8.9
567.31390	0.4
568.17712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.4
60.91055	0.2
60.94481	0.2
61.98833	100.0
63.99254	0.2
69.35364	0.5
69.35764	1.0
71.01384	1.2
73.02933	0.4
75.00867	0.2
82.18108	0.2
85.02959	0.6
89.02453	0.5
93.03486	0.5
93.56855	0.2
96.96022	1.3
101.02435	0.6
111.00888	0.4
113.02477	0.6
133.02983	0.4
135.04547	0.7
137.02438	0.2
153.72762	0.2
161.02493	0.7
161.04605	0.2
173.04561	0.3
179.03499	0.6
180.03972	0.3
185.56430	0.2
191.05597	2.0
192.05968	0.4
242.08195	0.3
505.34012	0.3
506.26642	0.5
506.34351	0.8
524.35822	0.3
566.16675	0.6
566.26569	1.0
566.76996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80893	0.5
57.03442	1.2
59.01105	0.7
59.01378	11.0
60.01694	0.5
61.98831	9.4
67.01875	0.7
68.99807	0.9
69.03445	1.3
69.26873	2.0
69.27297	2.0
71.01379	8.0
73.02934	1.6
81.03452	4.6
83.01385	1.3
83.05020	7.3
84.95113	0.9
85.02950	7.9
87.00881	1.3
89.02443	7.7
90.02795	0.6
92.51651	0.5
93.03464	3.0
96.95998	1.9
97.02942	1.8
98.95555	0.5
99.04495	0.8
100.40249	0.4
101.02447	7.1
102.02743	0.5
107.05022	3.4
107.06787	0.5
109.02943	8.1
111.00881	1.1
111.04531	1.2
113.02444	2.7
115.92096	0.5
117.03465	1.6
119.03467	1.4
119.05016	2.6
120.99637	1.0
121.02943	1.2
121.06606	7.8
123.04533	5.4
123.33269	0.5
124.01640	0.7
125.02435	1.3
125.06051	0.7
127.03992	3.3
131.03520	1.3
131.05005	1.0
132.02168	3.1
132.03796	0.6
133.02975	3.5
134.03738	25.5
135.04539	3.2
136.01646	1.3
137.02415	2.6
139.07654	0.5
141.05550	1.5
147.04530	4.2
148.05290	3.0
149.04558	3.9
149.06058	16.7
150.04880	1.2
151.03941	0.8
158.03728	1.4
160.01651	20.2
161.02429	9.5
163.03975	1.3
167.03523	1.0
167.07126	11.3
173.06047	1.4
174.03136	1.0
175.03989	30.5
176.04779	13.4
177.01903	3.6
177.05472	0.7
178.02667	2.9
179.03482	2.1
181.04980	1.1
185.08174	8.4
191.05577	3.7
191.07126	15.3
192.04230	1.7
192.05811	0.6
192.07436	0.7
193.05038	30.2
194.50336	0.5
197.08148	0.5
207.02971	1.3
207.06592	5.7
211.06129	3.3
217.05034	0.7
220.03772	2.1
229.07140	7.0
235.06104	27.0
236.06551	0.5
239.09171	0.5
243.08615	1.2
265.07120	3.2
295.08218	5.7
297.03989	0.9
312.06415	0.6
315.08670	1.9
323.07678	1.6
327.08633	2.3
333.11331	0.5
337.09369	3.5
345.09732	0.8
355.10406	1.2
373.11392	1.9
391.12460	15.0
421.59500	0.5
465.33185	0.6
506.26831	0.9
507.26923	2.6
523.17993	4.1
549.16083	1.4
567.17145	100.0
568.17499	7.1
579.42316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20573	0.1
59.01387	0.5
61.98831	100.0
62.98541	0.1
65.03988	0.1
67.01895	0.1
68.99812	0.2
69.92619	0.4
71.01389	0.6
73.02939	0.1
75.00812	0.1
80.39027	0.1
83.01395	0.1
85.02959	0.3
85.57971	0.1
89.02448	0.4
93.03463	0.4
96.96007	1.7
97.76255	0.1
98.20612	0.1
98.95555	0.1
99.00887	0.1
101.02451	0.6
102.02818	0.2
109.02970	0.2
111.00879	0.4
113.02435	0.1
113.95125	0.1
119.05024	0.1
120.05367	0.1
121.02924	0.2
127.04002	0.4
133.02980	1.0
133.05049	0.6
134.03453	0.1
135.04539	2.1
136.04858	0.8
137.02505	0.2
139.04033	0.4
140.04411	0.2
149.04739	0.1
160.01697	0.2
161.02457	1.8
161.04512	0.1
162.02798	0.9
173.04552	0.3
175.03973	0.1
179.03499	1.1
180.03883	0.5
191.05603	0.8
193.04910	0.1
209.04526	0.2
314.09033	0.1
390.11566	0.1
404.10623	0.1
404.23782	0.1
405.89859	0.1
506.25986	0.8
566.15924	3.2
567.16620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.9
61.98829	100.0
69.59589	12.8
78.95907	5.4
80.96529	6.0
96.96016	29.4
98.19966	3.6
110.98532	3.5
142.72894	2.0
293.21207	5.7
434.58505	2.5
462.30084	3.5
483.30954	3.3
548.33466	4.0
565.28491	12.1
566.34607	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	565.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03437	2.2
58.00600	0.9
59.01381	26.5
61.98820	1.5
68.81994	0.6
69.33524	4.8
71.01383	28.7
72.99313	0.9
73.02953	7.5
79.77048	0.6
80.75105	0.5
83.01390	5.6
84.14169	0.6
85.02951	9.4
87.00884	1.3
89.02446	14.5
95.01376	1.3
96.96014	0.9
97.02947	1.5
97.79307	0.6
99.00866	2.5
101.02441	21.3
111.00913	3.3
113.02448	8.3
116.92874	0.6
119.03453	0.6
125.02479	1.1
131.03506	6.8
143.03485	1.8
149.04562	4.2
159.03015	1.5
161.04549	5.6
185.78445	0.5
185.86781	0.6
191.05569	0.9
233.06668	1.8
306.11478	0.6
373.22293	10.8
374.22467	0.9
505.26541	100.0
506.26843	6.3
520.62848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.1
61.88047	0.9
65.34367	0.8
71.01378	2.1
71.11809	2.0
79.95731	6.7
80.96520	12.7
85.02968	1.2
88.98812	3.7
93.03486	1.4
96.96017	100.0
101.02466	2.7
103.00381	8.4
111.00906	1.9
138.97101	1.1
152.98660	1.7
164.98669	5.0
180.98117	3.8
191.05576	1.8
241.00206	7.6
461.18478	2.5
479.19559	86.8
480.19592	4.3
483.31293	3.6
521.20642	47.3
522.20557	1.9
565.19635	94.9
565.27667	6.7
566.20074	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62079	8.6
54.58001	7.9
54.81426	7.8
59.01370	15.0
61.98819	30.2
82.95419	18.5
96.96017	100.0
226.85678	10.6
348.07114	10.4
348.96738	9.3
494.24625	9.3
563.16187	9.0
565.23596	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	565.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09015	0.5
59.01102	1.1
59.01379	12.8
64.38752	0.5
64.50524	0.6
69.27284	4.6
71.01378	3.9
72.99307	0.8
73.02940	0.6
74.13494	0.5
75.00893	1.2
79.95741	6.3
80.96519	2.1
85.02952	4.4
87.00882	0.6
89.02450	0.9
93.03448	1.0
94.08488	0.5
95.95248	2.0
96.96012	100.0
97.02960	2.0
98.19802	1.0
99.00868	1.4
101.02438	1.7
103.00388	9.0
108.83315	0.5
114.11497	0.5
115.04007	1.1
129.01944	2.5
138.97047	1.2
150.97014	0.7
152.98653	1.5
159.02988	0.8
164.98558	0.7
168.98190	0.8
176.98634	3.0
177.04025	5.3
177.53278	0.5
182.56534	0.5
191.05649	2.2
192.05994	1.0
193.06055	1.2
194.99684	0.9
225.00790	0.6
238.98653	5.2
241.00226	1.8
256.99719	33.6
299.00803	5.2
332.32114	0.6
398.85287	0.6
459.17221	0.6
479.19537	59.6
480.19846	2.3
521.20612	37.2
522.20941	1.9
547.20203	1.9
565.19586	54.5
566.19934	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40237	0.5
57.03437	1.1
59.01106	1.0
59.01380	15.0
63.49450	0.4
69.03448	0.8
69.38398	1.6
69.38819	2.5
71.01374	4.4
71.92774	0.5
72.80043	0.5
72.99311	0.9
73.02948	0.6
73.11665	0.5
75.00877	1.3
79.95734	6.7
80.25301	0.5
80.42104	0.5
80.96510	2.0
85.02957	4.6
87.00867	1.9
89.02454	1.0
93.03448	1.5
95.95249	2.6
96.96010	100.0
97.02950	1.3
98.19849	1.0
99.00890	1.1
101.02422	1.0
103.00365	8.8
104.39988	0.6
111.00876	14.4
112.01224	1.4
113.02473	1.0
115.04002	0.9
129.01933	1.5
138.97052	1.7
150.97079	0.8
152.98604	2.0
159.02994	0.9
164.98642	1.8
168.98120	1.1
173.00891	2.0
176.98624	1.9
177.04034	5.1
191.05585	1.8
194.99582	1.2
238.98692	5.0
241.00215	1.5
242.62314	0.5
256.99710	32.6
299.00732	5.0
342.99707	0.6
479.19516	57.6
480.19836	2.4
483.72797	0.8
484.23608	0.7
521.20593	32.9
522.20807	1.8
547.19995	2.4
565.19543	42.3
566.19769	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1771
Annotation	Genameside C
Peak:m/z	Relative Intensity
55.01877	2.1
57.03440	1.7
58.00606	1.4
59.01381	37.6
59.53795	0.5
61.30767	0.5
62.39558	0.6
67.01893	25.1
68.99819	25.6
69.03452	1.8
70.53839	0.4
71.01385	45.5
71.05007	0.9
71.55969	0.6
71.56377	0.6
72.99312	2.4
73.02952	17.5
75.00879	1.1
81.03459	4.3
83.01392	6.9
85.02955	15.8
87.00881	6.9
89.02447	34.0
93.03458	2.9
95.01391	5.9
95.05019	0.8
96.96040	0.8
97.02956	9.7
97.27303	0.5
99.00900	2.5
99.04512	4.4
101.02448	100.0
105.03468	2.4
107.01335	0.7
107.05042	2.1
109.02951	13.7
111.00931	3.3
111.04533	1.6
112.01668	2.2
113.02452	29.9
115.04018	1.1
117.03486	3.1
119.03520	13.1
119.04977	3.7
121.02958	13.1
121.06520	0.5
123.04526	3.6
125.02444	4.0
127.04018	94.3
128.04401	1.0
131.03506	3.9
133.02959	6.9
133.06596	1.9
135.04497	2.9
137.02457	1.6
137.06055	1.7
139.04002	6.7
143.03508	8.9
145.02946	4.8
147.04568	3.4
149.02452	2.7
149.04564	1.1
149.06027	0.7
150.03214	0.8
151.04013	2.2
153.05539	0.6
155.03566	0.6
159.02934	0.6
161.02481	16.1
161.04552	30.8
161.08183	2.4
163.04008	3.6
165.01891	1.0
165.05560	8.4
167.03520	0.6
173.02461	2.4
177.05580	9.4
179.03506	1.1
179.03822	1.0
179.05608	23.7
181.05051	2.4
191.03510	18.8
191.05399	1.1
193.05046	14.3
195.06656	3.0
197.04530	2.0
205.05063	6.3
209.04485	3.3
221.06676	9.9
221.55125	0.6
223.06091	16.6
241.07175	88.0
242.07468	1.4
245.06735	0.6
263.07739	6.8
265.29077	0.5
273.01151	0.6
299.62061	0.6
323.09662	1.0
358.74551	0.8
385.11588	0.7
403.12378	4.3
451.98685	0.8
505.15714	0.9
533.15161	17.6
534.15698	1.4
565.17737	33.4
566.18170	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1564
Annotation	6'-O-E-Feruloylmonotropein
Peak:m/z	Relative Intensity
55.01869	2.1
57.03443	1.7
57.57113	1.0
59.01388	6.2
68.99826	1.4
69.03462	1.7
69.50946	2.8
69.51350	4.0
71.01389	7.6
73.02935	2.0
75.00866	1.3
81.03471	9.0
83.01416	2.1
83.05016	1.3
85.02940	3.9
87.00837	1.3
89.02433	4.8
93.03476	7.0
96.96006	20.3
97.02934	3.5
99.04512	11.2
101.02441	9.0
107.05029	5.1
109.02948	3.1
111.00883	4.9
111.04538	5.8
112.01212	1.2
113.02473	3.2
117.03439	2.9
119.05024	13.2
121.02959	16.1
123.04501	2.9
125.02425	2.9
129.03462	5.1
132.02161	3.5
133.02975	6.3
134.03754	28.4
135.04546	14.7
136.01642	1.6
137.02457	2.2
137.06100	7.7
139.04007	19.8
147.04524	31.9
148.05237	2.6
149.06050	4.6
151.03984	1.8
153.05554	3.6
154.73564	1.2
160.01666	20.4
161.02443	13.3
163.04037	2.6
165.05573	31.4
173.06027	1.5
174.03209	1.1
175.04007	28.4
176.04790	16.8
177.01913	3.2
177.05417	1.7
178.02704	3.8
179.03468	3.3
183.06631	22.1
191.03502	3.6
191.05566	6.6
191.07127	18.3
192.04266	2.2
193.05055	26.7
206.24892	1.1
207.06638	4.7
209.04555	16.7
220.03786	2.7
227.05643	16.4
235.06131	26.4
241.07129	2.7
259.06039	1.3
265.07184	5.0
281.06442	1.6
283.10992	1.3
287.05579	2.1
295.08154	6.6
323.07678	2.3
337.09332	11.0
355.10419	2.1
371.09833	2.6
389.10852	4.8
411.26358	1.1
521.16815	1.6
565.15594	100.0
566.15936	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	565.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98497	0.6
59.01382	8.2
59.96189	0.8
61.98835	1.7
67.01881	1.3
68.99812	1.8
69.03459	16.9
70.04754	2.1
71.01384	9.1
72.99308	12.2
73.02944	1.9
75.00871	2.2
79.95748	3.0
80.96527	1.0
81.03441	0.9
82.95419	3.6
85.02958	2.7
87.00867	4.1
88.98824	2.1
89.02441	7.7
93.03457	4.8
95.05022	2.3
96.96015	94.2
97.02948	6.7
98.20535	1.0
98.95618	0.8
99.00876	1.8
101.02452	7.1
103.05559	0.7
105.03446	1.0
108.02209	1.8
111.00880	7.6
111.04525	0.8
111.83805	0.7
112.01213	1.2
113.02444	8.7
115.05561	1.3
116.92849	1.1
119.03584	0.9
119.05035	2.5
121.02934	1.4
121.06607	1.5
123.03631	1.1
123.04529	19.6
125.02461	0.8
125.06068	0.9
127.04026	2.9
131.03506	1.7
133.02933	1.0
133.06602	1.2
134.03741	2.0
134.53148	0.6
135.04527	3.3
137.02437	1.4
145.02980	0.9
147.04512	10.7
149.04617	5.4
149.06041	6.0
153.01872	0.7
159.04471	2.5
161.02451	4.4
161.06073	4.3
163.04045	4.2
165.05530	0.8
167.07141	2.6
173.00945	0.9
173.04573	1.4
175.04112	0.8
177.05594	2.4
179.03461	1.1
181.05035	0.8
185.03879	0.9
189.01950	1.5
189.05515	0.8
191.03500	26.4
191.05594	10.0
191.07155	0.9
193.05072	3.3
205.05054	4.3
209.04558	21.0
223.06139	0.9
233.04558	14.3
233.82051	0.7
241.07210	1.4
247.06129	1.1
251.05611	17.1
251.07645	0.6
263.05289	0.7
265.99112	0.8
281.06674	1.4
283.10950	1.0
293.06677	2.0
309.08813	0.7
311.07767	4.0
353.08640	2.5
371.09464	2.2
380.62332	0.8
403.11557	2.0
451.12674	5.0
467.15552	1.4
503.15390	1.6
519.24567	0.8
521.16528	6.9
557.18872	0.8
565.15570	100.0
565.29431	3.0
566.15955	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	564.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63358	0.1
59.01374	1.2
61.98831	100.0
63.86304	0.1
68.99810	0.8
69.03455	0.2
70.87979	0.2
70.88298	0.2
71.01390	0.9
72.99232	0.1
73.02943	0.1
80.67802	0.1
83.01421	0.2
85.02956	0.2
87.00905	0.2
89.02441	0.7
91.05533	0.2
93.03464	3.1
94.03779	0.8
95.42905	0.1
96.96012	1.6
98.95591	1.1
98.96176	0.1
99.00867	0.1
101.02435	0.9
107.05022	0.9
108.05360	0.1
109.02956	0.2
111.00884	0.2
113.02460	0.2
116.92878	1.5
117.03436	0.2
119.05034	1.0
120.05392	0.3
121.02937	0.2
125.02383	0.2
131.03546	0.2
132.02135	0.2
133.02995	0.8
134.03757	1.1
135.04550	3.3
136.04897	0.2
137.02435	1.8
137.06105	0.3
138.02794	0.6
139.04062	0.3
147.04561	0.3
149.04552	0.3
149.06013	0.2
150.04860	0.2
160.01674	0.9
161.02457	2.0
161.04552	0.2
162.02853	0.2
162.72298	0.1
163.04031	1.3
164.04384	0.6
173.04546	0.2
175.03992	1.5
176.04420	0.8
177.01897	0.2
177.05235	0.2
179.03522	1.6
181.05103	0.5
182.05438	0.3
191.03574	0.4
191.05643	1.8
191.07202	0.4
192.06006	0.6
192.07562	0.2
193.05096	0.6
194.05426	0.3
205.05185	0.4
207.02983	3.0
207.06592	0.2
208.03340	1.9
223.06129	0.2
235.06204	0.5
236.06491	0.4
241.07138	0.1
251.21945	0.1
266.07431	0.2
295.08319	0.2
296.08472	0.2
301.07086	0.1
311.38882	0.1
337.09045	0.2
343.10373	0.4
344.10760	0.5
354.14267	0.2
403.10452	0.5
498.34738	0.2
504.25409	0.7
520.15369	1.3
564.14526	0.3
564.22546	0.2
565.15521	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.0
57.03445	3.1
58.00593	0.9
59.01384	38.1
60.49154	0.8
69.03455	1.1
69.42622	6.0
71.01385	37.3
72.99308	1.9
73.02958	7.8
75.28065	0.6
81.03453	1.2
83.01388	5.3
84.27014	0.7
85.02960	13.2
87.00864	2.8
89.02452	28.5
93.03453	1.7
95.01382	1.9
96.96022	1.8
97.02975	1.7
99.00901	2.9
99.04564	1.1
101.02448	26.5
111.00879	3.3
113.02465	10.9
114.02892	0.7
115.03987	1.2
119.03503	2.7
125.02454	3.3
130.30070	0.8
131.03526	9.7
133.02960	2.3
134.03712	0.8
135.04532	1.4
143.03485	1.8
149.04565	6.1
159.02950	1.1
161.02473	6.7
161.04555	5.5
173.04544	2.1
179.03511	1.0
191.05630	12.8
192.05896	0.9
200.35397	0.7
209.15479	1.5
213.76901	0.8
215.05516	0.8
233.06686	2.8
293.08893	1.2
353.19818	1.8
371.20715	13.1
503.24994	100.0
504.25391	4.3
563.21527	1.6
570.14258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12313	0.1
59.01371	1.1
59.10001	0.1
61.98832	100.0
62.10632	0.1
62.32906	0.1
67.01876	0.2
67.73609	0.2
68.99815	1.0
70.02600	0.1
70.88686	0.3
71.01390	1.0
73.02935	0.2
85.02970	0.4
87.00877	0.2
88.66521	0.1
89.02433	0.8
91.05544	0.2
93.03459	4.7
94.03803	1.3
96.95995	1.1
97.89655	0.1
98.19957	0.2
98.95586	0.9
98.96451	0.3
101.02450	1.1
107.05042	1.3
108.05380	0.3
113.02475	0.4
116.92863	1.6
119.05045	1.0
120.05401	0.4
121.02960	0.4
125.02421	0.2
132.02177	0.2
133.03020	0.8
134.03746	1.6
135.04550	3.9
136.04886	0.6
137.02444	2.3
137.06110	0.5
138.02794	0.9
138.06435	0.2
139.04033	0.4
145.02980	0.2
147.04546	0.6
149.04625	0.2
149.06119	0.2
151.04019	0.2
160.01654	1.5
161.02455	2.1
162.02832	0.5
163.04019	1.9
164.04326	0.8
173.04608	0.4
175.03990	2.0
176.04424	1.4
177.01904	0.2
177.05412	0.3
178.02673	0.3
179.03517	2.0
181.05042	0.7
182.05400	0.4
191.03574	0.8
191.05649	1.9
191.07205	0.4
192.06010	0.5
192.07567	0.3
193.05070	1.3
194.05457	0.7
205.05135	0.4
207.02988	3.8
207.06639	0.2
208.03337	2.5
235.06177	0.8
236.06476	0.7
295.08380	0.4
296.08694	0.6
301.07349	0.3
337.09326	0.2
343.10382	0.5
344.10803	0.6
356.11057	0.2
371.07767	0.3
403.10440	0.5
520.15393	1.4
564.14795	0.4
565.15552	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.6
57.65405	0.8
58.00592	3.0
59.01382	71.3
60.99303	3.3
61.98825	1.7
67.01889	1.2
69.03447	0.9
69.39719	7.2
71.01385	54.2
72.99320	2.7
73.02953	14.3
75.41278	0.7
81.03476	1.1
82.95364	0.9
83.01379	1.8
85.02945	9.4
86.95944	0.9
87.00881	3.8
88.98814	20.7
89.02447	100.0
93.03454	5.1
96.96014	21.3
97.02940	1.5
97.95986	0.9
98.95596	13.9
98.96451	2.7
99.00885	22.1
99.04521	1.3
101.02450	42.9
109.02946	1.2
111.00871	3.4
113.02447	11.0
118.23189	0.9
119.03509	4.7
125.02444	4.1
131.03502	28.4
135.04503	1.3
143.03511	2.3
149.04558	100.0
150.04910	1.0
153.92639	0.9
159.04520	1.3
161.02467	2.0
161.04509	4.8
173.04582	2.5
177.01991	0.9
179.03522	1.1
191.05617	37.0
207.03108	1.0
219.04900	1.5
221.06648	5.4
251.07684	9.5
255.03008	3.4
272.68393	1.0
275.07678	1.1
283.02512	6.5
285.03879	4.9
293.08838	4.1
311.09866	6.5
336.77521	0.9
353.08871	1.0
418.08783	1.0
430.09067	2.0
431.09692	5.0
481.11609	1.6
503.24866	16.5
560.34436	1.2
563.14282	2.9
581.74921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01849	0.2
54.93877	0.2
57.03445	1.8
59.01377	2.0
61.56847	0.2
61.98819	0.4
67.01892	3.4
68.99818	0.4
69.03454	0.3
71.01382	1.3
71.56561	0.3
72.99305	0.2
73.02966	0.3
78.95909	0.4
80.96519	0.3
82.96136	0.3
83.01374	0.2
85.02959	1.1
87.00882	5.8
88.98824	0.9
89.02431	0.9
93.03457	1.7
96.96021	3.3
99.00912	0.2
101.02458	1.0
107.05053	0.2
111.00886	100.0
112.01226	0.8
113.02451	0.3
116.86571	0.2
117.05584	2.3
119.05028	0.5
121.02943	0.2
122.03714	0.2
127.04037	0.4
129.98912	0.2
131.03543	0.2
135.04544	0.6
137.02452	0.6
137.06099	0.3
142.23389	0.2
148.36461	0.2
149.04556	0.4
149.06090	0.2
151.00322	0.2
154.99808	0.2
155.03484	0.2
160.01671	0.4
161.02422	0.4
161.04568	0.3
163.04025	0.7
163.49208	0.2
173.00912	16.9
173.04486	0.8
174.01341	0.2
175.04019	0.5
179.03474	0.2
181.05052	0.4
182.05840	0.5
191.05617	3.6
191.07088	0.1
192.05940	0.2
193.05078	0.3
197.08157	1.5
207.02921	1.1
209.11914	0.2
235.06126	0.4
343.10477	0.2
429.50449	0.2
473.15518	0.6
563.14270	0.9
563.23425	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.98832	0.3
65.55289	0.1
66.28745	0.1
67.01916	0.1
67.31994	0.1
69.44973	1.0
71.01389	0.7
78.95922	0.2
79.95738	2.7
80.96514	1.2
82.96099	0.4
85.02954	0.3
87.00874	0.2
88.37187	0.1
89.02453	1.3
96.96014	100.0
99.63327	0.1
101.02451	0.5
104.98197	0.1
107.83289	0.1
111.00890	2.6
113.02439	0.2
133.05186	0.1
148.99142	0.1
149.04532	0.5
152.98608	0.2
153.09145	0.2
164.98647	0.2
173.00932	0.3
189.89299	0.1
191.05592	0.8
225.00778	0.4
226.01202	0.1
236.60179	0.1
255.03062	0.2
271.02414	0.3
300.02673	0.6
301.03308	0.2
385.18683	0.5
457.67810	0.1
463.08710	0.6
560.20795	1.5
561.20837	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.2
58.00585	0.2
59.01107	0.2
59.01382	3.5
61.98850	0.8
62.22009	0.1
66.13466	0.1
71.01386	2.6
73.02948	0.4
74.78465	0.1
78.95909	1.3
79.95742	2.7
80.96543	0.4
82.96110	0.2
85.02951	1.2
87.00867	0.8
89.02444	4.2
93.03449	0.7
96.96014	100.0
96.96893	3.0
97.08863	0.1
99.04522	0.2
101.02444	1.6
109.02992	0.2
111.00900	0.3
113.02467	0.5
119.03499	0.4
127.04020	0.4
131.03513	1.1
133.02948	0.4
133.05064	0.2
135.04514	0.4
138.05936	0.2
149.04568	3.7
151.00330	0.2
155.03560	0.2
161.02440	1.2
161.04581	0.4
172.65527	0.2
173.04593	0.7
176.84912	0.2
179.03539	0.9
179.10745	0.2
187.07805	0.2
191.05620	9.8
192.05971	0.2
209.11821	0.3
229.01346	0.3
257.08066	0.2
271.02554	0.5
300.02725	1.0
301.03540	0.5
311.09732	0.3
351.05127	0.6
353.08719	0.2
369.33884	0.2
449.14484	0.2
497.12930	0.2
501.23596	0.7
561.12274	0.3
561.20630	1.1
562.13470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01376	0.4
59.87832	0.2
61.98830	0.3
67.01906	0.2
69.23280	1.9
71.01381	0.4
78.95910	2.2
79.95746	3.2
80.96523	1.9
85.02966	0.4
87.00873	0.6
93.03473	0.6
94.98112	0.3
96.96017	100.0
96.96902	4.1
98.19910	0.3
101.02435	0.2
111.00883	4.2
135.04561	0.3
135.40604	0.2
148.99197	0.2
161.02419	0.4
164.98631	0.4
173.00897	0.8
173.04552	0.4
191.05624	3.4
192.05963	0.5
225.00754	0.8
272.36801	0.2
295.45923	0.2
352.08035	0.3
352.58105	0.6
353.08133	0.2
387.10773	0.5
453.26816	0.2
471.15332	2.5
514.12109	0.2
543.17798	0.4
561.18213	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
56.25312	0.1
57.03451	0.4
59.01381	100.0
60.01727	0.3
70.29652	0.6
71.01383	5.9
72.99311	0.2
73.02948	1.7
83.01373	0.8
85.02952	2.8
85.03456	0.2
87.00900	0.2
89.02446	1.7
95.01422	0.5
96.95985	0.2
99.00896	0.7
101.02443	3.5
113.02453	2.8
119.03532	0.6
125.02425	0.2
126.50455	0.1
128.57411	0.1
143.03462	0.3
159.03061	0.3
161.04576	2.6
173.06010	0.2
174.06854	0.3
179.05801	0.2
182.70172	0.2
183.92734	0.1
189.34351	0.1
191.05682	0.3
258.70886	0.2
309.11407	0.6
357.13376	1.4
371.01245	0.2
478.74060	0.2
479.74338	0.2
519.18884	1.1
559.82910	0.2
561.33148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35909	1.0
57.02494	0.9
57.03442	1.4
58.00578	2.5
58.16427	1.0
59.01382	62.1
59.22483	1.0
61.98832	1.4
69.03448	1.2
69.46967	3.6
69.47391	4.8
71.01385	42.6
71.07360	1.0
72.99310	2.2
73.02951	13.0
83.01411	1.4
85.02954	6.1
85.57629	1.0
87.00915	1.6
87.51708	0.9
89.02447	100.0
93.03454	1.1
96.96013	7.3
97.02948	2.4
98.20598	2.4
99.00883	27.7
101.02448	38.0
113.02473	5.5
119.03501	3.2
125.02444	4.3
131.03500	15.0
143.03488	4.0
149.04561	86.0
161.04585	5.3
173.04655	1.5
178.95927	1.0
191.05638	24.0
221.06714	8.4
251.07690	4.4
281.08929	1.6
289.43924	1.1
293.08743	3.9
311.09714	5.3
401.17136	1.3
418.48276	1.2
578.30792	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65263	0.8
59.01379	10.3
61.98830	7.4
65.03952	1.5
67.01897	1.8
68.99813	14.8
69.03471	1.2
69.51854	5.1
71.01376	8.9
72.99346	0.7
85.02948	2.1
87.00886	1.4
89.02454	6.8
91.05536	2.4
93.03461	87.4
94.03781	1.3
95.01392	0.8
96.96016	12.2
98.95636	3.5
98.96249	0.7
101.02462	4.5
106.04246	1.1
107.05037	25.8
108.05360	0.8
111.04527	1.2
113.02461	2.6
117.03464	2.6
119.05032	23.8
121.02943	3.3
123.04602	0.9
124.18957	0.7
124.19872	0.8
132.02193	3.8
133.02934	5.1
133.06595	1.1
134.03749	24.6
135.00914	1.0
135.04535	24.8
137.02449	51.9
137.06084	11.2
138.02814	0.8
145.02963	1.2
147.04538	5.0
148.05318	2.8
149.04512	1.1
149.06091	5.9
151.04024	2.9
158.03711	1.2
159.04337	0.9
160.01662	27.6
161.02451	18.0
161.04568	1.1
161.06075	2.0
163.04013	38.4
173.04585	0.7
173.05998	1.1
175.04007	41.8
176.04807	10.4
177.01936	2.5
177.05534	2.2
178.02719	3.1
179.03523	3.2
181.05067	13.5
191.05591	7.4
191.07161	15.0
192.04314	1.5
193.05040	27.2
195.06622	0.9
205.05077	2.5
207.02988	100.0
207.06631	4.2
208.03355	2.8
217.05055	1.5
220.03810	1.9
223.06102	1.2
235.06100	23.8
265.07193	4.4
295.08218	15.1
296.08655	1.0
337.09299	6.1
343.10291	19.1
355.10361	2.8
387.09073	1.8
408.29907	0.7
475.16043	1.0
487.12546	1.4
519.15070	24.1
520.15259	1.4
553.33118	0.7
562.63379	1.3
563.14209	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56432	0.1
56.88430	0.1
57.03450	1.0
57.24447	0.1
58.00604	0.1
59.01385	2.3
61.98819	0.4
63.02396	0.4
65.00322	0.4
67.01895	0.3
68.94804	0.1
71.01387	0.9
71.01712	0.1
71.13789	0.1
71.55515	0.2
73.02954	0.2
75.00874	0.1
77.98240	0.1
78.95918	0.4
79.95745	3.9
80.96525	0.4
81.03452	0.2
83.01386	0.5
83.05018	0.2
85.02963	1.1
85.06606	0.2
87.00893	0.5
88.98818	0.3
89.02454	0.6
93.03469	1.8
95.95234	1.0
96.96014	100.0
99.00912	0.2
99.04532	1.0
101.02459	0.7
107.01416	0.9
108.02158	0.2
109.02947	0.3
109.06637	0.2
111.00882	0.2
111.04528	0.4
113.02470	0.4
119.03488	0.3
124.01650	0.4
125.02446	0.8
127.04031	0.3
133.02953	0.2
135.04510	0.3
137.02440	1.5
143.03461	0.2
148.09148	0.2
149.04602	0.2
151.00375	3.9
152.01144	1.3
153.01884	0.3
155.03540	0.2
159.04468	0.2
161.02507	0.3
161.04602	0.3
161.92482	0.1
164.67502	0.2
169.01378	0.5
173.04576	1.5
173.06110	0.2
175.03941	0.2
178.99864	3.6
179.03371	0.2
187.07590	0.2
191.05621	8.4
192.05954	0.3
193.06084	0.1
199.67722	0.1
211.03903	0.2
215.07115	1.0
222.85992	0.1
227.07230	0.2
243.06570	0.4
253.05038	0.2
266.05930	0.2
271.02658	0.2
271.06000	0.2
294.05347	0.2
300.02805	0.4
320.03323	0.3
333.07529	0.5
335.05637	0.4
336.05908	0.2
339.08578	0.1
351.08606	0.2
353.06616	5.5
354.07129	0.2
361.07193	0.6
367.07996	1.0
367.12134	0.2
378.07571	0.3
379.08087	0.9
397.09192	1.9
415.23541	0.2
433.10995	0.2
449.14178	0.2
511.22906	0.2
521.16736	0.3
523.35144	0.2
527.11548	0.2
559.15894	7.5
559.29425	49.0
560.14758	0.4
560.29895	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
63.96233	1.0
69.03466	0.7
69.23869	0.6
69.24273	2.6
71.01380	6.6
73.02943	1.5
78.98593	4.5
79.95733	6.9
80.96517	53.2
81.03451	0.9
83.01392	0.4
83.05016	0.5
84.95147	0.4
85.02944	3.8
87.00883	2.4
93.03455	0.9
94.98090	11.1
95.01419	0.5
95.14589	0.3
96.96010	4.0
97.02956	1.1
98.19852	0.6
99.00927	0.4
99.04542	0.5
101.02427	2.3
106.98079	2.3
111.00877	0.5
112.32114	0.4
122.97568	2.4
125.02448	2.8
127.03999	1.0
128.90158	1.5
129.01982	0.4
134.97581	4.6
135.04591	0.5
136.99141	1.5
145.96577	0.3
148.99142	4.5
152.98622	4.5
161.02397	0.7
164.97313	0.7
164.98628	10.6
173.04575	0.6
191.05618	6.9
192.05984	0.4
206.99687	2.4
209.11896	2.3
211.16890	0.3
225.00731	14.7
299.04413	2.3
367.08218	0.9
379.06488	0.4
390.10736	0.4
527.18036	3.0
538.09753	0.4
559.20660	100.0
560.21082	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	559.2396
Annotation	Chloramphenicol palmitate
Peak:m/z	Relative Intensity
57.03414	0.6
58.00583	1.8
59.01382	45.8
61.22472	0.6
61.35696	0.5
61.85996	0.5
61.98840	0.8
63.96243	0.7
69.03442	0.8
69.80559	3.3
71.01387	39.6
72.99307	2.0
73.02946	4.8
75.55954	0.6
78.98582	4.9
79.95744	6.1
80.96520	45.4
81.03476	0.9
83.01393	1.4
85.02957	6.9
87.00888	4.6
89.02450	64.1
94.98097	10.7
95.57890	0.7
96.96011	2.2
97.02944	1.7
98.19944	0.8
99.00880	0.8
101.02449	30.2
106.98093	1.9
111.00865	1.4
113.02453	6.5
119.03508	4.8
120.97060	0.6
120.99683	0.7
122.97586	3.2
125.02451	3.6
131.03513	19.2
134.97583	3.8
136.99147	0.6
143.03531	1.4
148.99153	4.2
149.04559	66.1
152.98654	4.4
161.04576	2.5
164.98634	8.6
173.04651	0.8
187.11252	0.7
191.05600	12.6
206.99707	2.3
209.11913	1.8
225.00748	13.8
233.34331	0.6
251.07587	1.1
281.08902	1.1
293.08679	1.4
299.04382	3.0
311.09811	6.3
356.21548	0.7
527.17999	2.2
559.20679	100.0
560.21082	5.4
577.91998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39323	0.9
50.65173	0.8
53.18601	0.9
57.03434	2.2
59.01103	1.8
59.01381	28.1
59.36130	1.1
61.67549	1.0
69.03440	1.1
71.01386	12.1
71.54773	1.3
72.28194	1.2
73.02943	4.5
74.18159	1.0
83.01396	2.6
85.02962	5.4
87.00894	5.9
87.04523	2.9
89.02454	2.1
92.13883	1.1
96.96026	4.0
97.02914	1.2
99.00870	1.4
101.02442	9.1
111.00861	1.9
111.68938	1.1
113.02418	5.5
119.03504	1.1
125.02468	1.2
130.63788	1.1
135.04529	2.3
136.75145	1.0
161.02467	1.1
173.95787	1.2
191.05634	2.4
199.13367	2.4
209.11769	2.9
223.17052	15.2
235.16908	1.4
275.20120	2.1
293.21222	6.2
311.22293	14.5
400.64996	1.2
432.33817	1.4
455.26523	7.7
473.27551	17.8
515.28589	100.0
516.28870	4.7
527.28870	3.4
559.16980	1.3
559.25299	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
58.00608	0.2
58.56083	0.1
59.01381	2.6
61.98824	0.5
63.02398	0.4
64.90379	0.2
65.00313	0.6
67.01876	0.2
69.03436	0.2
69.05186	0.1
71.01376	1.1
73.02959	0.4
78.95891	0.4
79.95737	4.9
80.96507	0.5
83.01370	0.3
85.02944	1.0
85.06590	0.3
87.00866	0.5
88.98834	0.2
89.02453	0.3
93.03464	1.7
95.95242	2.0
96.96014	100.0
97.06580	0.2
97.95970	0.4
98.95613	0.2
99.00888	0.3
99.04516	1.1
101.02428	0.7
107.01393	1.1
108.02148	0.2
109.02943	0.2
111.00842	0.3
111.04494	0.3
113.02456	0.5
115.07616	0.3
119.03480	0.3
121.02952	0.2
124.01643	0.3
125.02436	1.4
127.04030	0.2
133.02946	0.2
135.04407	0.2
137.02440	1.1
141.95773	0.1
143.02406	0.2
143.03462	0.3
151.00375	4.2
152.01147	1.1
153.01970	0.5
161.02499	0.2
161.04559	0.4
169.01418	0.3
173.04576	1.3
178.99873	5.1
180.00082	0.2
187.07552	0.2
191.05615	6.1
192.05940	0.3
200.04869	0.2
215.07178	1.3
217.08661	0.2
227.07169	0.3
243.02933	0.2
253.04933	0.2
260.44580	0.2
271.02475	0.3
271.05774	0.4
284.61282	0.2
300.02628	0.5
308.72687	0.2
333.07693	0.4
335.05579	0.3
336.06235	0.2
353.06641	5.3
354.06635	0.2
361.07034	0.2
367.08167	0.7
379.08243	0.9
385.09125	0.2
397.09262	4.0
398.09570	0.2
415.23456	0.2
499.28824	0.2
521.17017	0.2
523.34430	0.2
559.14697	7.1
559.29425	78.8
560.14600	0.7
560.29736	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	557.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73782	0.4
55.01883	0.6
57.03439	1.2
59.01384	2.5
61.98830	0.6
64.67502	0.4
67.33047	0.4
69.03457	6.9
70.60249	0.4
71.01395	2.1
71.05025	2.8
71.55686	0.5
71.56097	0.6
73.02941	0.8
75.00880	1.2
78.95937	0.5
80.02684	1.3
81.03490	2.0
81.03887	0.4
83.01398	1.5
83.05029	4.8
84.02178	1.1
85.02957	0.6
89.02457	0.9
91.04008	1.2
95.01394	0.5
95.05029	1.4
96.96022	1.0
97.02977	0.6
97.06579	0.9
99.00877	1.5
109.06577	1.1
111.00890	1.0
111.04513	0.6
111.28139	0.5
113.02443	1.4
122.28611	0.4
123.08144	1.6
125.06071	0.8
125.09724	4.6
135.08203	0.8
137.09726	0.6
138.60849	0.4
145.26189	0.4
149.09679	0.8
151.11301	4.5
153.12868	1.1
160.01659	0.6
161.09735	6.8
163.11272	4.7
165.12895	2.0
171.10323	0.6
177.09029	0.4
179.10783	19.0
181.12361	0.7
185.11798	1.1
191.05643	0.8
191.10805	1.6
197.11835	68.1
198.12154	1.5
209.11832	53.9
210.12152	1.0
221.11882	0.9
223.09811	2.9
227.12883	5.8
241.10822	9.5
289.17911	0.5
293.21249	6.8
297.13416	3.4
315.14487	11.7
389.23312	0.8
445.29810	0.5
447.30597	0.5
463.27167	0.9
476.24323	1.3
501.31125	0.4
507.25830	1.2
519.33203	1.2
521.34448	1.6
525.27057	100.0
526.27539	4.7
556.98700	0.5
557.30157	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	558.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47069	0.3
55.51282	0.3
55.67337	0.3
57.69261	0.3
59.01375	0.6
61.98832	100.0
66.38483	0.3
67.59404	0.3
72.20932	0.3
75.23419	0.3
78.43558	0.3
81.61256	0.3
96.96037	1.2
163.32149	0.3
477.23178	0.5
486.33273	0.4
558.26593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07142	0.5
55.64362	0.6
56.70380	0.6
57.03448	4.7
59.01374	5.8
59.45280	0.5
61.98833	0.8
63.02398	9.3
65.00327	9.1
68.99832	0.8
71.01385	2.3
71.54848	0.6
71.55183	0.8
73.02953	0.8
79.91948	0.8
79.95750	0.8
83.01392	8.7
85.02951	1.7
87.00882	0.9
89.02451	2.5
93.03470	2.5
95.01408	0.8
96.96016	2.6
99.04526	1.6
101.02438	2.8
107.01394	19.1
107.02143	1.0
109.02972	1.7
111.00874	1.3
113.02453	1.5
119.03539	0.9
121.02965	19.1
123.00893	0.6
124.01648	6.1
125.02448	15.9
133.02957	1.2
135.00911	1.2
135.04532	1.8
137.02432	1.5
147.06621	0.8
151.00371	82.5
152.01161	17.5
153.01938	5.5
159.04494	1.2
161.02446	0.8
163.00314	1.2
169.01445	6.0
172.05240	0.9
173.04536	2.0
173.06076	3.7
175.04016	1.3
177.01894	2.6
178.99857	100.0
180.00208	1.9
181.01453	1.0
185.06027	0.9
187.04056	1.2
187.07646	2.8
188.04730	0.9
189.01930	0.6
189.05582	4.8
190.02722	1.5
191.05597	10.5
191.07155	1.0
192.04300	1.1
197.06081	1.3
199.07620	2.6
200.04781	4.5
201.05550	2.2
202.02629	0.7
202.06366	0.7
203.03552	0.9
211.03984	1.0
212.04759	0.7
215.07118	27.2
216.07719	1.0
217.08684	3.5
225.05612	1.9
226.02731	0.6
226.06296	1.1
227.07101	2.6
228.04352	0.7
232.03822	1.2
239.07040	0.8
240.04390	0.8
241.05116	3.2
241.08795	0.8
242.02243	1.0
242.05826	2.1
243.03017	1.2
243.06635	3.5
253.05019	4.5
254.05844	1.9
255.02896	1.8
264.04279	0.6
265.08658	0.6
267.06802	0.7
269.08142	1.2
270.05258	1.3
271.02496	4.5
271.06091	9.1
274.06168	0.7
277.08670	0.9
280.07465	1.1
281.08203	1.1
283.09738	0.7
291.06546	0.8
292.07251	0.9
293.04727	0.8
293.08240	2.6
294.05078	0.6
296.03256	0.6
299.02008	1.9
300.02725	8.3
305.08057	0.8
307.09833	0.8
309.07538	0.8
311.02014	0.8
311.09183	0.9
321.04059	1.0
322.04794	1.1
323.09500	0.7
325.07230	1.3
333.07660	3.0
334.08527	1.1
335.09332	0.8
336.06396	1.4
351.08572	2.2
353.06613	11.0
353.10577	1.1
361.07397	1.4
378.07382	1.6
379.08191	8.9
397.09265	75.9
398.09592	3.1
433.11365	2.9
491.70309	0.6
523.34882	2.1
527.11835	0.7
559.14539	69.2
559.32660	11.6
560.14996	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.5
59.01380	8.3
63.02399	9.7
65.00327	9.0
69.03451	2.3
70.38660	1.3
71.01376	3.3
75.00880	1.3
79.95718	0.6
83.01383	10.6
85.02959	2.2
87.00877	1.3
89.02460	1.7
89.67495	0.5
93.03459	2.3
95.01405	1.3
96.02142	0.6
96.96001	3.6
99.00879	1.0
99.04523	1.1
99.76551	0.5
101.02454	3.1
107.01387	19.1
109.02940	2.1
111.00871	2.2
113.02444	1.9
113.77738	0.6
119.03497	0.7
123.00854	0.6
124.01675	6.6
125.02450	13.7
137.02477	0.9
139.00412	0.9
143.03534	0.5
146.03738	0.6
151.00366	84.4
152.01169	18.1
153.01950	4.6
159.04524	1.2
160.01665	0.6
161.02484	1.3
161.04492	0.9
163.00351	0.8
165.01898	0.9
169.01433	6.9
172.05246	0.7
173.04572	1.4
173.06085	2.9
177.01895	1.9
178.99861	100.0
180.00264	1.6
181.01477	1.1
185.00883	0.7
187.03983	1.9
187.07623	3.3
188.04742	0.9
189.01927	0.8
189.05583	3.6
190.02731	0.9
191.03880	1.0
191.05621	7.6
197.06104	0.8
199.07639	2.0
200.04776	3.6
201.05606	2.1
202.06387	0.6
211.04047	1.1
214.02646	0.8
215.07127	27.7
216.07838	1.5
217.08727	5.0
219.06564	0.7
225.05600	1.8
226.06297	0.8
227.07129	3.9
232.03815	1.4
241.01434	0.8
241.05049	3.3
241.08766	0.9
242.05818	1.8
243.02875	1.0
243.06560	3.4
253.05017	5.5
254.05794	1.8
255.02974	2.5
255.06699	1.0
265.08765	0.9
267.06531	1.8
269.08234	0.9
270.01862	0.9
270.05148	1.0
271.02518	4.6
271.06104	7.2
289.08734	0.7
291.06589	1.2
293.04697	1.1
293.08160	2.7
294.05246	0.8
295.06171	0.8
296.03232	1.2
299.01898	1.8
300.02731	8.8
305.08139	1.4
306.05515	0.8
307.09686	0.9
309.03979	0.7
309.07523	0.6
311.01883	0.9
311.09103	1.4
321.04172	1.0
322.04721	1.5
323.09439	0.8
325.07205	2.0
333.07690	4.4
334.08307	1.3
335.09232	0.7
336.06348	1.4
337.07001	0.7
350.04160	0.9
351.08762	1.2
353.06644	11.4
353.10608	1.0
361.07211	3.8
369.09705	1.1
378.07556	2.6
379.03732	1.0
379.08203	10.8
396.08374	0.6
396.21484	1.2
396.71768	5.0
397.09262	68.3
398.09677	3.2
433.11273	3.0
499.29138	1.6
559.14539	72.6
560.15051	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67255	0.6
51.58497	0.6
56.28580	0.6
57.03444	2.4
59.01108	0.9
59.01384	13.0
61.98835	1.2
63.02404	4.1
65.00321	7.5
67.01884	1.5
68.99838	0.6
69.03453	2.5
71.01383	6.9
71.09942	1.0
71.10287	1.1
72.99326	0.6
73.02944	1.2
78.51603	0.6
78.95898	1.3
79.95718	4.4
80.96519	1.1
81.03481	0.7
83.01375	5.3
85.02948	4.3
87.00895	1.6
88.98792	1.0
89.02464	3.7
90.98606	0.6
93.03455	8.6
94.62347	0.6
94.98090	2.8
95.01383	1.4
96.96012	100.0
97.02930	0.7
97.14481	0.6
99.00888	2.0
99.04528	1.8
101.02445	4.6
103.89620	0.6
107.01392	12.7
108.69025	0.6
111.00900	2.1
111.04487	0.9
113.02443	2.0
114.36079	0.6
119.03503	1.2
121.02966	0.8
123.00906	0.8
123.04478	0.9
124.01664	7.3
125.02443	6.3
127.04004	1.5
133.02937	1.1
135.04536	1.2
137.02480	3.3
139.00438	0.8
143.03513	1.5
149.02441	2.3
151.00366	82.1
152.01178	18.6
153.01971	1.9
161.02419	1.2
161.04547	1.0
164.04651	0.7
165.01955	1.0
165.05521	0.7
169.01436	10.1
173.04555	12.9
173.06030	1.0
175.03943	0.7
178.99861	22.8
179.03456	1.0
185.06096	1.5
187.03952	1.1
187.07629	1.9
189.09192	1.0
189.36069	0.6
190.02695	1.0
191.05598	23.8
192.05931	1.5
197.04532	1.7
198.06790	0.7
199.07614	1.3
199.37514	0.7
201.05586	1.4
211.04054	0.7
211.13312	0.8
213.05609	1.4
215.07109	3.4
216.07919	2.7
217.08723	1.8
223.06050	1.5
224.04401	0.7
225.05609	2.4
227.03586	0.7
227.07158	5.3
229.08723	0.9
231.06792	0.9
235.07654	0.8
237.09213	1.1
239.07228	0.8
243.06705	1.1
244.07330	1.0
249.05508	1.2
253.04953	3.8
254.05890	0.8
263.07135	1.1
265.08646	1.2
267.06830	1.8
269.08246	0.9
279.06729	0.7
280.07437	0.8
281.04510	0.7
285.04022	1.6
289.08694	2.7
290.05927	1.6
291.06589	1.1
293.04858	1.3
293.08023	1.0
299.02075	0.9
305.08218	5.1
307.02289	0.8
308.03284	2.4
309.03690	1.2
321.04019	2.0
322.04852	1.2
325.03287	0.8
333.07687	15.5
334.08173	0.9
335.05441	0.8
336.02713	1.2
350.04187	1.7
350.08044	0.8
351.08731	2.4
353.06638	34.9
354.07077	1.1
361.07159	28.2
362.07504	1.7
367.08145	1.6
367.12103	1.2
378.07458	7.0
379.08200	23.4
380.08578	1.2
396.08493	1.7
397.11877	2.9
405.72107	0.8
407.13605	2.2
433.11530	0.7
449.14035	0.9
456.24921	0.9
499.29135	1.5
506.34705	0.8
531.15155	1.0
541.13812	2.9
559.14569	48.8
559.29364	20.1
560.14801	3.9
560.29279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33884	1.2
56.62650	1.0
57.03443	4.4
59.01381	16.4
60.99318	1.5
61.98839	2.1
67.01874	2.6
68.97173	0.9
69.78322	1.0
71.01382	4.9
71.10186	2.4
75.00864	1.2
77.40739	1.0
78.69629	0.9
83.01408	1.1
83.04933	1.1
85.02950	14.2
87.00873	4.4
88.98798	6.9
89.02420	1.3
89.04006	1.2
93.03455	14.4
96.96021	14.2
96.96913	1.4
99.00896	2.1
99.04550	1.8
101.02431	3.4
104.92889	1.2
109.02898	1.8
111.00896	4.2
111.04529	2.9
113.02451	2.3
117.03485	5.2
117.05605	1.2
122.57552	1.2
127.03985	2.5
132.02173	4.9
133.02959	9.1
135.04514	3.3
137.02441	1.3
145.02960	5.3
147.04449	1.3
160.01685	6.2
161.02443	25.5
163.04045	2.2
168.47450	1.3
173.02383	2.2
173.04544	7.8
175.04007	1.5
177.05621	1.6
189.01923	45.7
190.02347	1.5
191.05612	100.0
192.05954	3.0
193.05118	1.4
195.07916	1.2
201.01892	1.3
205.05014	4.1
205.06624	3.7
217.06522	2.5
219.04727	1.3
221.04399	6.5
221.06413	1.4
232.05409	1.8
233.06015	4.5
248.04713	3.1
249.05605	3.1
261.05560	2.6
277.05011	2.4
289.05194	1.6
298.47983	1.2
305.04553	9.3
321.07599	2.6
323.18503	1.7
333.04047	92.3
334.04266	2.2
337.07135	4.0
351.05283	4.0
353.08737	1.2
365.06638	13.5
400.66016	1.3
454.22827	2.2
476.33484	1.3
485.23843	1.3
525.10431	9.8
539.11987	3.2
557.12946	3.2
558.13922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.3
58.00584	1.8
59.01105	0.8
59.01384	9.1
60.99302	0.8
61.98833	9.6
65.03957	0.8
67.01881	0.7
68.99821	0.6
69.03473	4.1
69.29348	3.1
69.29769	1.0
71.01385	7.1
71.05020	0.6
72.99303	0.8
73.02961	1.2
74.89317	0.5
80.58337	0.4
80.96468	0.7
81.03461	4.6
83.01380	0.7
83.05033	6.2
84.02167	0.6
85.02959	7.9
87.00874	1.7
88.98817	5.6
89.02448	2.3
93.03458	3.7
93.07101	1.3
95.05041	1.0
96.39812	0.5
96.96013	2.0
97.02947	2.1
99.04538	1.5
99.08202	0.6
101.02439	2.7
106.04271	0.5
106.81705	0.5
107.05022	3.4
109.02952	8.9
109.06618	2.4
111.04520	1.9
111.08179	1.6
113.02443	1.5
119.03528	1.3
119.05035	1.6
121.02984	0.6
121.06605	8.0
123.04520	5.6
123.08164	1.2
125.06096	1.4
127.04009	4.6
127.07664	9.6
131.05020	2.3
133.02940	0.9
134.03763	1.2
135.04572	0.8
137.02449	0.7
137.06097	6.8
139.07635	0.7
139.11311	4.3
141.05531	0.8
143.03560	0.7
145.02943	1.2
149.06082	12.7
153.01883	0.5
155.07153	6.8
161.02408	1.6
163.03870	0.5
163.11316	0.6
165.09203	1.7
167.03481	2.2
167.07149	11.7
168.07516	0.7
173.04506	3.7
179.10658	1.2
181.12410	0.7
183.10258	10.9
185.08197	11.0
191.05626	21.7
193.05057	2.7
197.11829	6.2
207.10345	0.7
209.11639	0.6
209.99509	0.5
210.12158	0.7
211.06104	2.1
225.11293	7.9
229.07143	7.7
233.06569	0.9
255.12325	0.7
261.05243	0.5
305.04434	1.2
333.04065	1.7
351.05209	0.8
363.07278	2.4
373.11322	2.5
391.12524	4.0
395.10220	0.6
557.22406	100.0
558.22870	4.3
572.36310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05451	1.1
59.01381	10.8
61.98838	3.7
63.57031	1.4
66.28483	1.2
67.39417	1.3
69.03471	4.0
69.40079	10.5
71.01388	9.8
73.02945	2.6
75.00877	3.5
76.88249	1.4
78.95907	1.5
80.96523	4.5
82.95457	2.7
85.02987	4.5
87.00902	3.5
89.02470	4.6
91.75522	1.2
93.03475	5.9
96.96024	11.8
97.02996	2.8
101.02477	5.7
109.02979	1.5
113.02444	6.4
117.03508	1.9
119.05045	6.0
121.02982	2.2
121.06631	1.7
122.35296	1.2
123.04581	6.1
125.02475	2.5
127.04069	2.0
131.03452	1.7
145.02962	12.2
149.06136	2.3
151.00397	1.7
161.04660	1.7
161.06158	1.3
161.60669	1.4
163.04080	5.1
173.04640	2.4
177.01968	2.8
191.05620	14.4
197.11926	1.4
211.95203	1.5
225.00768	2.2
319.38803	1.4
383.07864	1.9
389.21945	1.7
392.13019	1.5
519.14862	7.5
521.26056	36.4
557.23907	100.0
558.23767	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2368
Annotation	Ananolignan J
Peak:m/z	Relative Intensity
53.12429	2.3
59.01386	10.4
61.98832	18.6
63.37487	2.2
69.03460	3.5
69.39363	5.2
69.39769	10.7
71.01395	10.5
73.02935	2.7
74.69926	2.2
78.95893	3.9
80.96510	6.5
82.95399	6.9
85.02954	6.1
87.00879	3.8
87.01773	2.0
89.02435	7.4
93.03433	6.9
96.96022	17.5
99.22304	2.2
99.27008	2.2
101.02441	9.5
113.02449	4.4
117.03386	2.4
123.04472	4.6
125.02401	3.3
145.02924	9.6
149.06026	2.3
161.04468	3.7
163.04001	4.8
164.03566	2.6
173.04532	2.6
185.03735	2.3
191.05576	17.3
197.11771	3.9
241.10736	2.1
291.81699	2.0
302.80774	2.2
382.40634	2.2
389.21823	2.5
392.12445	5.2
519.14758	8.6
519.25067	3.5
521.26038	40.1
557.24005	100.0
558.24359	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48983	0.2
57.03452	1.5
59.01373	0.6
59.81601	0.2
61.98828	0.6
67.01893	3.2
70.50149	0.2
71.55337	0.4
76.64726	0.2
78.07246	0.2
83.85823	0.2
85.30846	0.2
87.00881	6.1
93.64937	0.2
96.91273	0.2
111.00887	100.0
112.01225	0.9
154.99879	0.6
173.00923	11.1
315.60016	0.3
485.33023	0.3
557.26154	1.0
557.34839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.8
59.01381	9.0
60.99313	1.2
61.98828	2.2
67.01889	1.1
69.03445	0.9
70.69270	0.5
70.69610	1.2
71.01379	5.7
72.99281	0.6
73.02938	1.6
75.00859	0.6
80.02677	0.7
81.03464	1.4
83.01374	1.3
83.05034	3.3
84.02173	0.6
85.02955	3.5
87.00890	2.8
88.98806	8.3
89.02432	4.2
93.03464	5.7
94.03792	0.6
95.05025	0.5
96.95996	3.8
99.00856	0.7
99.04503	1.0
101.02438	5.4
107.05008	0.5
108.02202	0.5
109.02962	1.1
111.00887	0.9
111.04482	1.3
113.02456	1.8
117.03463	1.2
119.03482	1.5
119.05042	2.6
121.02979	1.0
122.03781	0.7
123.04523	2.4
125.02437	0.8
125.06080	0.9
127.04004	0.8
133.02956	1.1
134.03757	0.5
135.04512	2.6
137.02451	1.7
143.03508	0.5
145.02933	3.2
147.04543	1.1
149.02475	0.9
149.06055	0.5
150.03232	2.3
161.02429	3.3
161.04572	1.9
163.03960	2.8
163.11266	2.1
165.05524	2.5
165.12825	1.9
166.05051	1.2
173.04572	3.1
177.05603	0.7
179.03429	1.3
179.05724	0.7
183.06587	1.0
183.10370	0.6
187.07632	2.0
187.13391	3.4
189.05678	0.6
191.05612	22.9
191.07361	1.2
191.10756	0.6
192.05959	2.7
205.05121	0.8
207.06628	1.8
209.11821	100.0
210.12201	2.1
227.12888	16.1
231.06615	1.2
235.08342	0.9
243.03023	0.8
253.09317	13.6
255.02966	0.9
257.08154	0.8
265.07202	0.7
271.02527	1.4
272.02716	0.7
300.02643	2.4
301.03387	3.7
302.03922	1.0
339.05042	0.5
353.08752	0.9
357.09839	0.7
445.20868	2.1
463.21954	0.7
495.24725	0.5
507.20172	2.8
511.18213	2.2
519.15253	2.8
519.22894	0.7
536.19684	0.5
554.63782	2.2
555.21783	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	555.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31365	0.8
57.03452	2.0
59.01381	10.2
61.78852	0.8
61.98824	2.0
67.01881	1.1
69.03485	1.2
71.01379	5.6
71.56076	1.6
73.02934	1.1
78.95901	2.7
80.02695	1.1
81.03445	1.6
83.01388	1.0
83.05034	4.5
85.02959	7.2
86.73514	0.8
87.00890	1.8
88.98813	3.3
89.02450	5.3
93.03450	4.4
95.04996	1.0
96.96007	12.9
97.02941	2.2
99.04522	2.2
101.02425	4.8
107.05022	1.4
109.06574	2.3
111.00844	4.3
111.04478	2.1
113.02458	2.2
119.03513	0.8
119.05006	2.6
121.02958	7.4
121.06567	1.0
122.03728	1.2
123.04509	1.1
125.02457	1.2
125.06094	1.4
127.07670	1.8
135.04530	1.8
137.06107	5.1
139.03990	3.4
139.11293	1.3
147.04547	2.5
149.02460	0.8
151.47847	0.8
152.99574	3.1
155.07120	1.4
161.02473	1.8
161.04591	1.7
163.04036	1.4
163.11307	2.2
165.05525	3.6
165.12859	2.1
173.04564	1.7
179.03448	1.0
183.06616	2.0
183.10301	3.4
191.03725	2.1
191.05605	13.5
197.11716	1.6
209.04546	22.4
209.11819	100.0
210.12181	2.5
225.11317	2.0
227.03455	1.4
227.12883	14.7
228.13271	0.9
253.09309	13.2
285.03925	2.8
429.08267	1.9
445.20605	2.9
513.20142	2.5
555.20911	27.9
556.21021	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2841
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
57.86612	0.4
59.01389	0.5
61.98817	1.0
63.96228	0.9
69.03442	0.5
70.37531	0.3
71.01379	5.4
72.07747	0.3
73.02942	1.4
78.98591	5.6
79.95735	8.1
80.96516	56.1
81.03453	0.9
82.24067	0.3
85.02947	2.1
87.00875	2.5
94.98087	12.9
96.96021	0.7
97.02947	1.4
101.02441	1.9
106.98081	3.1
122.97584	2.7
125.02448	3.2
127.04034	0.7
127.05951	0.3
134.97585	4.4
136.99118	1.6
146.97536	0.5
148.99129	5.2
152.98642	5.3
164.98628	9.7
167.00139	0.4
182.99684	0.5
185.21436	0.4
206.99654	2.5
225.00731	15.7
255.23318	2.6
269.67389	0.4
299.04446	2.6
510.97473	0.4
555.28406	100.0
556.28632	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	555.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55484	1.3
59.01380	100.0
61.98821	1.8
65.93674	1.1
73.02425	1.1
77.07803	1.0
78.95917	1.4
83.04983	1.1
91.80960	1.2
152.99580	2.5
183.13928	1.8
209.11824	29.0
211.13390	41.1
227.12823	3.1
229.47601	1.5
268.29251	1.2
396.84827	1.2
410.42331	1.2
473.36368	1.5
555.34949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91079	0.7
53.03586	0.7
63.64365	0.7
69.58319	1.6
69.58741	3.2
71.01374	1.8
71.05019	3.3
80.60580	0.9
86.64021	0.7
97.02972	2.1
97.06577	2.7
98.20581	1.7
99.00878	12.2
125.09736	6.9
127.11301	1.2
136.05258	0.8
147.78313	0.8
163.11298	6.7
173.01790	0.7
175.70767	0.7
181.12340	13.2
197.34386	0.7
199.13388	27.8
207.10294	18.4
210.25116	0.8
225.11313	43.0
226.11563	1.0
243.12408	9.5
255.23285	65.5
256.23584	2.2
299.14893	3.8
317.16049	11.8
555.39038	100.0
556.39362	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	555.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.9
57.03439	5.3
58.00576	2.2
58.03758	1.2
59.01375	16.7
59.21111	1.3
61.98813	2.3
63.23578	1.3
65.03952	2.2
65.23262	1.2
66.43629	1.4
67.01873	1.6
67.85391	1.4
68.99810	5.7
69.03455	4.6
70.06801	1.5
71.01382	17.3
71.55511	1.7
72.99281	1.6
73.02934	2.4
75.00877	2.0
78.95902	2.6
79.95744	2.6
80.96517	6.2
85.02934	7.0
87.00859	4.4
88.98762	2.1
89.02433	4.0
90.69942	1.3
91.05524	3.6
93.03456	100.0
94.98096	1.6
95.05011	1.4
96.96013	28.1
97.02971	2.0
97.06602	2.1
98.95567	2.1
99.04501	2.0
101.02448	7.3
107.04516	1.2
107.05038	13.8
109.02937	1.3
109.06585	2.2
110.05289	1.5
111.04496	2.4
113.02422	5.4
117.03442	1.4
119.03550	3.0
119.05019	28.6
121.02941	3.7
125.02468	1.6
133.02974	1.9
134.03735	2.5
135.04544	16.7
137.02444	35.4
137.05118	2.1
137.06081	22.6
141.12845	4.9
144.52989	1.2
151.03993	2.9
152.99609	3.3
161.02463	10.2
161.04585	2.9
161.06055	2.7
161.08130	1.6
163.02724	2.4
163.04013	30.4
164.98657	1.2
165.05478	2.5
165.12589	1.9
171.10291	6.5
171.13933	11.0
173.04483	3.1
177.01930	1.5
177.05551	1.4
179.03462	6.7
179.07069	2.2
181.05063	44.1
181.12393	2.1
183.13896	2.0
185.10201	2.8
185.11819	38.8
191.05568	19.6
191.07143	2.2
192.06068	1.9
193.04947	3.2
195.06535	2.4
199.13390	27.1
205.05060	9.3
207.02974	80.0
208.03392	1.8
208.15504	1.3
209.11833	5.2
211.13400	2.7
223.06091	4.6
227.10696	2.4
227.12860	30.6
229.14484	1.8
238.42447	1.3
257.13766	3.2
287.14893	2.0
327.21793	10.3
343.10214	9.9
349.70270	1.4
394.78134	1.4
469.16873	1.7
511.21832	46.8
512.22144	1.9
555.19409	4.3
555.27112	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	555.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.9
57.03439	5.3
58.00576	2.2
58.03758	1.2
59.01375	16.7
59.21111	1.3
61.98813	2.3
63.23578	1.3
65.03952	2.2
65.23262	1.2
66.43629	1.4
67.01873	1.6
67.85391	1.4
68.99810	5.7
69.03455	4.6
70.06801	1.5
71.01382	17.3
71.55511	1.7
72.99281	1.6
73.02934	2.4
75.00877	2.0
78.95902	2.6
79.95744	2.6
80.96517	6.2
85.02934	7.0
87.00859	4.4
88.98762	2.1
89.02433	4.0
90.69942	1.3
91.05524	3.6
93.03456	100.0
94.98096	1.6
95.05011	1.4
96.96013	28.1
97.02971	2.0
97.06602	2.1
98.95567	2.1
99.04501	2.0
101.02448	7.3
107.04516	1.2
107.05038	13.8
109.02937	1.3
109.06585	2.2
110.05289	1.5
111.04496	2.4
113.02422	5.4
117.03442	1.4
119.03550	3.0
119.05019	28.6
121.02941	3.7
125.02468	1.6
133.02974	1.9
134.03735	2.5
135.04544	16.7
137.02444	35.4
137.05118	2.1
137.06081	22.6
141.12845	4.9
144.52989	1.2
151.03993	2.9
152.99609	3.3
161.02463	10.2
161.04585	2.9
161.06055	2.7
161.08130	1.6
163.02724	2.4
163.04013	30.4
164.98657	1.2
165.05478	2.5
165.12589	1.9
171.10291	6.5
171.13933	11.0
173.04483	3.1
177.01930	1.5
177.05551	1.4
179.03462	6.7
179.07069	2.2
181.05063	44.1
181.12393	2.1
183.13896	2.0
185.10201	2.8
185.11819	38.8
191.05568	19.6
191.07143	2.2
192.06068	1.9
193.04947	3.2
195.06535	2.4
199.13390	27.1
205.05060	9.3
207.02974	80.0
208.03392	1.8
208.15504	1.3
209.11833	5.2
211.13400	2.7
223.06091	4.6
227.10696	2.4
227.12860	30.6
229.14484	1.8
238.42447	1.3
257.13766	3.2
287.14893	2.0
327.21793	10.3
343.10214	9.9
349.70270	1.4
394.78134	1.4
469.16873	1.7
511.21832	46.8
512.22144	1.9
555.19409	4.3
555.27112	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	555.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90213	2.2
57.03427	2.1
59.01379	27.9
61.98830	12.5
65.36679	2.5
69.03448	10.6
71.01382	23.1
71.55804	2.6
72.99296	3.6
73.02929	5.8
75.00865	6.3
81.03455	2.3
83.01384	2.4
85.02959	12.9
87.00873	4.7
88.98805	4.6
89.02451	20.6
93.03446	7.7
95.04997	3.2
96.96014	44.5
97.02940	5.6
98.95589	3.7
99.00860	6.0
101.02440	15.5
103.00381	2.3
109.02924	4.2
111.00849	3.4
113.02439	13.4
117.03439	7.4
119.03503	4.3
119.05036	18.8
121.02952	4.5
121.06545	1.9
122.03722	2.6
123.04546	24.5
125.02427	7.1
125.99618	2.3
127.04015	3.0
131.03491	4.6
131.07133	4.1
134.03709	2.1
135.04514	5.0
137.02429	5.9
143.03430	2.7
145.01884	2.9
145.02959	38.5
149.02460	3.2
149.04543	15.4
149.06015	5.6
150.03209	8.2
153.01941	4.0
155.03455	3.8
157.01387	2.9
161.02301	2.5
161.04561	5.4
163.04039	21.7
165.05539	20.7
167.07126	5.4
173.04504	5.0
178.99953	2.0
179.05630	3.4
185.03735	5.0
185.88695	2.1
187.03966	3.3
191.03954	3.7
191.05606	42.0
192.05865	3.6
193.05003	3.1
195.06505	2.6
196.03804	11.8
196.28001	1.9
197.04575	2.7
205.04982	3.1
207.13885	2.3
209.04668	2.1
211.06111	3.4
243.17928	2.0
251.07817	2.5
285.07516	2.7
291.12708	8.0
292.12781	3.5
293.08615	3.8
300.09903	3.7
301.10837	2.0
311.09894	3.4
331.11777	7.3
391.12613	2.5
435.12817	2.0
469.17368	11.2
495.23669	3.8
501.23148	6.9
511.18231	6.0
519.15002	45.4
519.24249	32.2
520.15424	2.3
555.22443	100.0
556.10437	2.3
556.22748	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	555.2214
Annotation	Terreulactone D
Peak:m/z	Relative Intensity
58.43570	1.5
59.01376	17.6
61.98820	2.6
65.96110	1.7
70.42294	1.5
70.55283	2.9
70.55626	2.4
71.01379	15.1
73.02951	2.6
78.25037	1.6
79.95753	1.9
85.02971	5.3
87.00901	2.1
89.02442	15.7
93.03480	2.8
96.96035	11.6
97.42432	1.5
98.95599	3.6
99.00901	1.8
101.02446	12.3
109.02959	1.6
111.20681	1.5
111.82225	1.4
113.02444	4.3
115.00367	3.0
115.30500	1.6
119.03500	2.1
121.02969	3.8
131.03499	1.6
135.04547	1.9
137.02434	1.9
145.38060	1.6
147.04533	3.3
149.04536	3.3
150.03241	2.0
158.18495	1.5
161.02464	1.7
161.04538	3.2
165.01865	4.3
165.05582	6.3
173.04547	2.0
175.02438	3.0
179.03490	2.2
179.05582	2.3
191.05644	13.1
192.06049	1.5
204.47052	1.6
205.37494	1.9
206.72171	1.9
225.15030	3.0
243.00478	2.0
246.37590	1.6
269.96188	1.6
273.54160	1.8
326.68210	1.7
387.20087	4.0
469.09109	4.3
495.24689	4.5
511.10175	3.9
519.24463	57.2
520.25055	2.8
555.08423	4.4
555.22253	100.0
556.22473	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80564	0.3
52.35106	0.3
57.76288	0.3
59.01374	2.4
61.98837	1.6
64.22074	0.3
65.82413	0.3
69.40798	2.2
75.75093	0.3
77.72174	0.3
78.95902	5.8
80.96519	1.0
85.33678	0.3
94.98092	0.4
96.95998	0.3
97.60102	0.3
101.52242	0.3
123.85238	0.3
125.09711	0.3
152.99574	0.7
168.04372	1.6
209.11882	0.7
224.06996	1.0
225.00717	0.6
242.07957	1.9
251.62709	0.3
261.22058	0.5
274.08212	0.3
279.23270	100.0
280.23648	3.0
366.36691	0.3
472.31186	1.7
504.30966	39.3
505.31134	1.7
553.31824	0.3
554.27148	1.4
554.32281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
59.70076	0.2
61.98843	0.3
69.77253	1.0
71.01394	0.3
75.80995	0.2
78.95908	2.1
79.95746	2.8
85.02953	0.6
87.00905	0.2
93.03474	0.8
96.96017	100.0
96.96899	3.4
99.04553	0.4
123.00888	0.2
135.04500	0.4
135.11365	0.2
137.02412	0.3
161.02437	0.8
161.04623	0.3
173.04611	0.5
179.03514	0.3
191.05617	3.5
192.05952	0.3
217.25168	0.2
256.44003	0.2
291.30762	0.2
297.58408	0.2
300.02753	0.3
308.57422	0.3
323.57907	0.2
473.64597	0.2
523.09058	0.4
543.15137	0.3
555.20367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34684	0.7
57.03438	1.9
57.47815	0.7
58.00569	0.9
59.01382	9.1
60.99287	1.9
61.63601	0.7
67.01904	1.1
69.03445	5.1
70.80096	0.7
71.01372	8.3
71.05034	1.2
72.99287	1.1
73.02937	1.0
75.00877	10.1
81.03454	9.1
83.01366	1.9
85.02946	4.4
87.00867	1.2
88.98804	11.8
89.02452	3.5
91.05528	1.1
93.03456	6.0
93.07081	1.8
95.01360	1.0
95.04993	1.2
96.96016	5.2
97.02950	3.1
97.06535	0.9
98.19857	2.0
98.95615	1.1
99.00845	0.9
99.04515	10.8
101.02456	4.5
101.03959	1.0
107.05035	6.9
108.02167	0.8
109.02947	3.2
109.06576	4.2
111.04520	7.2
111.08138	2.0
119.05021	11.4
121.02950	18.7
121.06582	1.1
123.04539	2.1
123.08102	0.8
125.06075	1.7
127.07650	8.9
129.03487	6.5
134.03682	0.9
135.04527	13.5
136.01656	1.1
137.02469	1.1
137.06079	15.0
138.06375	1.0
139.04008	22.0
139.11275	3.1
145.53314	0.9
147.04518	32.0
149.02452	1.1
150.03168	2.0
151.03987	1.8
153.05583	4.8
155.07114	5.4
165.05562	31.4
165.09166	1.0
165.52328	0.8
183.06616	31.5
183.10204	9.2
188.20633	0.7
191.03493	3.8
191.05612	5.2
195.26155	0.7
197.11787	5.1
209.04546	19.8
225.11302	7.9
227.05606	18.2
280.92291	0.7
371.09875	4.4
389.10703	1.8
469.17221	1.5
555.20801	100.0
556.21100	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11567	0.4
57.03448	1.2
59.01101	1.0
59.01383	13.7
61.98841	4.8
67.01904	0.5
68.99822	9.8
69.03455	1.0
71.01384	6.3
72.99323	0.6
73.02957	1.8
74.72147	0.4
74.99095	0.5
79.95730	5.9
80.96532	1.9
81.03471	0.6
83.01400	0.6
85.02954	2.7
87.00887	1.4
88.98815	1.8
89.02441	4.2
93.03461	4.8
95.95244	1.5
96.96016	100.0
97.02938	0.6
99.00886	1.4
99.04529	0.9
101.02447	24.0
103.00382	11.9
104.10280	0.5
105.03441	1.1
107.05048	1.2
109.02949	1.5
111.00886	0.5
111.04527	0.7
113.02483	1.3
119.03503	0.5
119.04984	0.6
121.02971	2.9
123.04533	15.7
127.04099	0.6
131.05054	1.0
133.02963	1.6
134.03749	1.7
134.97585	1.5
135.04506	2.8
136.01669	0.9
137.02423	2.3
138.02928	0.5
138.05602	1.2
138.97063	2.4
139.03891	0.5
143.03523	1.1
147.04561	4.0
149.04547	2.0
149.06006	2.6
150.97105	1.1
151.04037	1.1
152.98634	3.5
153.05542	0.9
161.02477	4.5
161.04517	1.2
161.05856	0.5
163.04007	2.2
164.03461	1.0
164.98628	1.4
165.01938	1.2
165.05521	1.0
169.03026	0.6
173.04524	2.0
175.03943	0.8
178.02814	0.7
179.03470	2.0
179.05611	0.8
180.98083	1.9
181.05040	2.2
182.02217	0.5
182.05351	0.6
191.05624	11.0
192.06007	0.8
193.05066	2.6
194.05588	0.6
197.04575	1.7
198.99207	1.3
207.03017	1.7
207.06615	4.6
208.03310	1.0
209.04602	0.7
209.11812	1.8
211.06104	1.6
222.99173	0.9
225.07698	1.8
227.12956	0.6
229.01305	0.7
239.05606	0.8
241.00246	36.4
242.00681	0.8
259.01285	5.5
283.01306	10.3
284.07425	0.6
299.07858	0.6
301.02213	3.1
341.08774	1.4
343.10339	1.1
344.10699	1.3
354.93951	0.5
391.17563	2.2
435.06012	3.8
456.01047	0.6
463.10889	0.9
467.08676	48.5
467.15503	2.1
468.08798	1.7
477.07272	1.6
493.22733	1.1
509.09726	38.4
509.16418	1.8
510.09747	1.6
517.22949	1.2
535.07349	1.2
535.14697	1.0
553.08569	33.8
553.15753	4.1
553.22302	2.1
554.09149	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01102	1.2
59.01384	16.8
71.01398	4.6
71.55231	0.6
72.99281	0.7
73.02951	1.4
79.95739	5.7
80.96521	3.8
83.01371	0.6
85.02956	2.3
87.00858	0.9
88.98825	1.9
89.02455	2.5
92.36380	0.6
93.03462	1.8
95.01343	0.6
96.96014	100.0
99.00922	0.8
101.02444	3.4
103.00375	9.9
113.02463	1.1
122.97546	0.6
123.00892	0.8
125.02412	1.2
133.02980	0.8
137.02441	0.7
138.03220	0.6
138.97050	0.7
141.13182	0.6
142.34294	0.6
143.03554	0.7
150.97050	1.0
152.98579	0.9
161.02448	1.4
161.04605	0.6
164.98616	5.5
169.67851	0.7
173.04578	1.4
179.03563	0.6
180.98126	2.9
185.11806	6.0
189.95943	0.6
191.05629	8.2
192.05815	0.7
211.80510	0.6
222.99200	0.8
241.00203	5.7
255.02916	0.7
271.02579	0.8
300.02554	1.3
301.03217	1.7
302.03336	1.9
303.03827	1.6
304.03992	1.0
307.10342	0.8
353.08755	0.6
357.00781	0.6
391.17694	1.2
449.14804	2.0
463.09000	0.8
467.15915	92.1
468.16232	3.7
509.11066	3.1
509.17014	49.2
510.17355	2.1
535.14734	1.9
553.15851	62.1
554.16479	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	553.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.5
58.00592	1.8
59.01382	13.8
64.01401	0.8
65.03970	1.8
67.01886	3.1
68.99814	6.7
69.03453	6.6
69.85001	2.8
69.85403	2.3
71.01009	1.0
71.01380	12.5
71.05019	0.9
72.99301	1.8
73.02946	1.3
75.00880	1.2
81.03458	1.3
83.01379	1.2
84.36116	0.9
85.02942	4.1
87.00871	2.6
89.02440	3.0
91.05530	3.8
91.81284	0.9
93.03459	100.0
93.07084	1.7
94.03760	1.0
95.05043	1.6
96.95998	1.4
97.02979	1.1
99.04529	1.0
101.02440	6.7
105.01888	0.9
105.03490	1.2
106.23454	0.9
107.05020	13.6
109.06584	4.0
109.40491	0.8
111.04529	2.4
111.08157	2.6
113.02418	3.2
116.92834	1.8
117.03407	1.2
119.03522	1.5
119.05026	26.1
120.69255	1.1
121.02935	3.1
121.06540	1.0
123.04504	1.6
123.08160	2.2
125.06061	2.0
127.07651	10.6
131.05013	1.7
133.02914	2.6
133.06602	2.1
135.04524	16.6
137.02452	34.2
137.06078	30.6
139.11287	9.1
147.48233	1.0
149.06029	1.8
151.03990	2.3
155.07124	7.3
161.02440	7.2
161.04578	3.0
161.06038	3.6
163.04002	30.9
165.09193	1.1
173.04504	3.6
177.05534	2.2
179.03479	7.3
179.07182	2.3
181.05061	43.6
183.10272	22.5
189.64157	0.9
191.05620	12.2
195.06615	1.8
197.11813	10.4
205.05040	10.4
207.02977	64.3
207.10196	1.5
208.03323	1.0
223.06052	3.9
225.03943	1.4
225.11325	18.8
227.76367	1.0
229.01302	1.1
255.12338	2.6
285.13419	1.1
300.03085	1.0
324.34451	0.9
325.09561	1.3
343.10306	15.7
344.10587	1.2
353.08841	2.6
400.10889	1.1
422.32477	1.0
509.20282	39.7
509.27899	2.2
510.20230	2.5
515.12067	1.7
553.19397	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	553.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
60.99305	13.4
69.64362	2.3
71.01389	1.3
75.90099	0.4
80.96500	0.8
85.02950	1.2
87.00873	0.5
88.98804	100.0
89.02449	3.4
93.03450	1.6
96.96005	3.0
101.02448	1.0
109.02949	0.4
113.02428	0.7
117.07191	0.5
118.98128	0.5
135.04462	0.4
135.18188	0.4
140.95293	0.6
161.02391	0.6
161.04587	0.9
173.04491	1.0
187.07475	0.5
191.05609	3.6
209.11855	1.0
209.22568	0.5
303.21759	0.9
464.47293	0.5
467.15918	0.9
467.65009	0.5
484.16916	0.5
509.16690	0.9
553.14801	0.9
553.22150	0.5
553.30353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99198	1.0
57.61868	0.9
59.01373	1.3
61.98832	39.0
63.96241	1.3
67.33466	1.2
71.01382	6.2
71.55771	1.7
73.02927	1.8
75.76058	0.9
77.97385	0.9
78.98591	4.5
79.95743	8.5
80.96519	56.7
85.02952	2.6
87.00848	2.0
94.98098	12.8
96.96021	1.6
97.02929	1.5
98.18343	0.9
101.02462	1.2
106.98096	3.0
116.63692	1.0
122.97562	2.2
125.02451	1.3
127.04070	1.0
134.97543	3.1
136.99161	1.8
148.99103	5.0
152.98648	5.4
164.98628	8.4
201.11211	1.0
206.99672	2.7
225.00740	12.4
253.21730	3.1
299.04483	3.1
471.34802	5.0
501.59933	1.2
515.33734	1.3
553.26868	100.0
554.27350	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3511
Annotation	Muscanone
Peak:m/z	Relative Intensity
59.01368	2.8
61.98842	0.9
64.24769	0.8
66.20041	0.9
71.01380	2.0
71.05034	2.8
71.48725	0.9
71.53864	1.3
78.95911	3.5
79.95744	2.3
80.96516	12.7
94.27792	0.9
94.98094	3.6
96.95998	1.2
108.70770	0.8
110.33881	1.0
156.12846	1.0
164.98615	1.9
204.92952	0.9
225.00725	2.8
253.49034	1.2
279.23279	14.4
294.64154	0.9
300.58029	0.9
411.32767	2.5
427.35843	1.6
453.33783	20.9
459.43799	1.1
471.35016	82.5
472.35406	5.6
474.93683	1.0
493.29498	1.8
504.30966	11.4
553.26843	22.9
553.35089	100.0
554.27740	1.5
554.35419	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01383	0.5
61.98844	0.5
62.43482	0.5
66.07934	0.6
67.01852	0.6
69.03456	8.9
70.54406	1.1
70.54768	1.1
71.01400	1.1
71.05024	2.2
74.30299	0.4
83.05006	0.9
83.12109	0.5
94.30399	0.5
95.05053	0.7
97.02974	1.0
97.06614	1.4
99.00852	0.6
109.06587	0.6
123.08132	1.5
125.09746	4.5
137.09694	1.7
149.09712	1.4
151.11264	7.0
153.12840	1.8
161.09721	11.6
179.10777	32.0
180.11134	0.8
197.11824	82.7
198.12157	1.9
200.83215	0.5
223.09763	4.4
237.22171	0.7
241.10822	13.7
250.31955	0.5
255.23283	84.2
256.23694	3.2
267.79752	0.5
297.13446	8.2
315.14468	13.7
541.60657	0.6
553.37445	100.0
554.37720	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	59.4
70.34263	36.9
70.81418	100.0
74.22102	33.8
84.58727	36.6
279.23273	82.5
339.31024	52.0
551.29724	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
89.16904	27.7
90.73693	24.6
98.20753	52.3
109.03403	25.7
112.64429	25.9
145.97934	26.2
279.23233	100.0
551.29718	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.8
69.33276	0.3
70.31187	1.2
71.01379	2.2
73.02949	1.0
85.02930	0.8
87.00890	0.5
89.02462	2.1
96.96004	0.4
101.02457	3.0
113.02439	1.4
119.03474	0.5
133.04982	0.5
149.89279	0.3
161.04514	0.9
166.37209	0.4
184.73579	0.4
191.05626	2.2
192.05983	0.3
235.08263	2.7
253.06653	0.7
253.09297	11.5
255.23285	100.0
256.23642	3.5
269.32904	0.3
469.33218	0.8
491.32071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96640	0.2
61.98828	100.0
64.67706	0.2
77.70498	0.2
88.81435	0.2
235.92105	0.2
347.89273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.5
60.99310	11.6
61.98797	1.6
67.01876	1.2
68.99818	1.4
69.89071	0.9
71.01383	5.3
73.02909	1.3
79.95721	3.4
80.96519	2.3
81.12108	1.0
83.01373	1.3
85.02946	2.2
87.00847	1.8
88.98810	73.5
89.02444	4.0
93.03477	1.6
95.01395	1.4
96.96014	55.5
97.02924	1.3
98.95596	2.8
101.02461	8.2
103.00380	6.5
107.01406	1.4
109.02929	2.4
113.02413	2.1
114.87012	0.9
119.03506	1.3
121.02923	1.6
122.10283	1.1
123.04517	2.3
127.04034	5.7
129.54881	1.0
131.26134	1.1
133.02948	1.5
133.05038	2.5
148.01683	1.1
151.00386	6.4
161.02357	1.7
163.00313	1.6
164.98592	4.4
167.03525	5.0
173.04596	1.1
174.72914	1.1
178.99828	3.9
180.98154	1.3
181.08765	1.1
191.03954	1.2
191.05562	7.0
193.05025	1.5
209.04495	3.0
209.84189	1.2
227.03441	1.9
241.00169	3.6
241.07089	3.1
243.03011	5.9
255.02965	15.7
269.06903	1.7
271.02481	27.9
272.02850	1.3
300.02759	77.1
301.03540	30.3
463.08826	100.0
464.09079	3.9
467.15915	53.7
468.16043	2.5
509.16925	28.9
553.15857	40.1
553.28656	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	551.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.1
58.93815	0.8
59.01378	9.5
71.01383	91.8
72.01716	1.4
72.99307	28.2
73.72296	0.8
85.02935	1.4
87.00877	43.1
93.03468	1.3
98.20654	1.7
98.42410	0.8
104.33405	0.7
115.00375	31.4
129.01936	9.0
133.02945	1.3
147.03000	100.0
147.06628	4.1
158.94443	0.8
172.97452	0.7
173.04463	1.2
186.56535	0.8
191.05595	3.3
209.04820	1.2
241.16515	0.9
304.63867	0.7
337.32550	0.9
369.08246	1.2
577.23199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1773
Annotation	Alboside I
Peak:m/z	Relative Intensity
54.59580	0.8
57.03437	2.0
59.01383	11.5
61.98839	1.4
63.22818	0.6
67.01867	1.0
68.99837	1.0
69.03455	0.9
69.30666	2.4
69.31087	3.8
71.01385	7.3
73.02932	2.3
75.00882	0.6
81.03449	2.3
82.95391	1.1
83.05026	8.0
85.02941	2.8
87.00885	6.0
88.98790	3.1
89.02441	4.4
93.03458	6.2
95.05000	0.7
96.96007	3.1
101.02451	6.3
107.05036	30.1
107.26048	0.9
108.02203	0.8
108.05371	0.7
109.02984	0.7
109.06605	1.3
111.00880	1.4
113.02450	4.1
115.05583	1.2
116.05410	0.7
116.92848	5.6
117.03478	1.8
119.03499	1.1
121.02945	1.9
123.04501	0.9
125.06093	22.7
132.02162	8.2
133.02972	5.4
133.06587	3.7
134.03749	29.6
135.04512	3.6
136.01675	1.2
137.02428	1.1
145.03047	0.8
147.04555	4.0
148.05296	1.8
149.06096	7.8
151.03987	0.8
151.07648	36.5
152.01151	1.1
158.03705	1.3
160.01665	43.9
161.02460	10.9
161.04568	1.5
163.04158	0.8
163.07625	0.9
166.05139	1.3
167.03500	1.0
169.08704	18.6
173.04541	1.4
173.06064	1.0
175.04004	66.0
176.04784	11.4
177.01927	1.9
178.02689	4.3
179.03462	2.1
191.05595	4.0
191.07143	11.3
192.04327	1.2
193.05057	34.4
195.06607	1.8
207.06638	4.3
213.07683	13.5
220.03801	1.5
235.06093	23.8
265.07147	3.7
295.08304	3.7
337.09320	6.3
346.96048	0.7
355.10483	0.9
357.11957	2.1
375.12909	2.5
381.19296	0.7
389.25244	0.9
456.85825	0.7
465.14261	0.8
475.16162	0.8
478.46158	0.8
489.17896	1.0
507.18915	8.3
519.14752	1.1
551.17706	100.0
551.30127	9.9
552.17755	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10560	0.8
55.01886	1.9
57.03452	1.3
58.00593	4.3
59.01382	100.0
61.98832	2.2
67.01879	0.7
69.03432	0.6
69.15864	0.7
69.44579	5.3
71.01385	70.4
72.99323	4.8
73.02938	3.2
82.95416	1.3
83.01400	2.9
84.95126	0.8
85.02950	11.8
87.00880	6.1
88.98796	0.9
89.02448	98.2
93.03461	2.9
95.01379	5.0
96.96017	3.5
99.00882	1.4
99.04514	0.8
100.49110	0.6
101.02450	40.3
102.26638	0.6
109.02962	1.5
111.00848	0.7
113.02454	27.5
116.92873	2.2
119.03510	43.1
121.02950	2.4
123.04530	1.5
125.02477	1.2
131.03503	5.4
133.02902	0.7
134.03734	1.1
137.02429	2.0
138.03163	1.1
143.03479	8.6
145.02863	0.7
149.04529	3.8
149.05989	0.8
152.04723	0.9
153.01883	0.9
153.05562	1.3
158.03674	0.7
159.03062	0.7
159.04457	1.7
160.01614	0.9
161.02390	2.0
161.04550	8.3
161.05908	0.9
165.05579	1.0
173.06033	3.1
174.03201	0.7
175.03961	6.4
176.04533	1.6
177.05534	2.3
179.05612	24.6
187.02570	0.7
187.04039	5.2
189.09244	0.8
190.02623	0.7
190.06390	3.3
191.05548	5.7
191.07140	1.3
193.05048	1.5
202.06322	2.4
205.05037	6.4
205.08572	1.3
209.11742	1.1
219.06570	1.7
220.07391	6.4
235.06041	1.1
235.09784	4.5
251.11421	0.8
257.56943	0.7
283.09512	1.9
297.08585	1.0
311.09259	8.2
326.11621	4.5
327.12091	0.8
341.09946	1.2
341.13663	2.6
356.12582	1.3
359.15045	3.1
371.14996	37.2
372.15173	1.2
389.15692	1.3
399.12857	0.8
465.14124	1.1
505.26434	6.7
551.22107	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	549.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82941	0.3
54.48677	0.3
55.01881	1.9
55.32320	0.3
57.03450	2.7
58.00600	4.5
59.01380	100.0
60.01714	0.5
60.99299	0.4
61.98828	1.6
63.16588	0.3
67.01888	1.2
68.99820	4.5
69.03458	0.7
71.01382	80.6
71.54700	0.5
72.01749	0.4
72.99313	6.5
73.02950	6.7
75.00873	1.0
82.95428	0.6
83.01385	4.8
84.43624	0.3
85.02952	19.5
87.00871	5.8
88.98788	0.8
89.02445	91.4
93.03469	1.2
95.01395	5.1
96.96000	3.2
97.02956	0.6
99.00880	3.0
99.04539	0.5
101.02445	59.3
102.02824	0.5
103.04025	0.4
108.02168	0.4
109.02996	0.8
111.00896	4.0
113.02453	33.8
116.92871	0.4
117.03538	0.4
119.03503	39.8
120.03826	0.5
121.02985	1.6
123.04520	2.1
125.02429	1.6
127.04004	2.9
129.01952	0.7
131.03511	4.1
133.02991	0.5
134.03709	0.5
135.04471	0.7
137.02419	0.6
137.06071	0.4
137.09680	1.7
138.06845	0.5
141.01831	0.4
143.03491	8.6
145.02950	1.2
147.04541	1.7
149.04564	3.4
149.05621	0.4
149.09712	0.7
150.03285	0.4
159.02969	1.9
159.04335	0.4
160.04100	2.1
161.02454	0.9
161.04552	14.3
161.05893	0.8
161.99550	0.4
163.03995	0.8
163.06174	0.6
167.03426	0.5
173.04556	0.7
175.02562	0.4
175.03986	0.7
177.05583	1.4
179.05606	20.7
180.05911	0.5
181.05150	0.4
182.05881	0.8
189.12872	0.8
191.05627	4.0
193.04984	0.5
205.05060	1.6
207.06721	0.6
207.10190	0.5
207.13750	0.5
221.06615	0.6
223.06134	0.8
225.07715	0.9
225.15009	1.2
267.06705	0.4
326.64822	0.3
369.11813	0.7
369.19208	1.8
387.12451	2.2
387.20456	9.8
388.20587	0.5
422.59143	0.4
517.15594	0.5
549.17285	3.6
549.25610	84.5
550.26068	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05335	0.1
59.01373	0.2
67.01886	0.2
68.99836	0.2
70.55987	0.3
71.01382	0.1
75.00901	0.1
78.95874	0.4
79.95731	2.1
89.02461	0.1
89.07014	0.1
93.03444	0.2
96.96010	100.0
97.95948	0.1
101.02440	0.4
109.02962	0.1
110.30735	0.1
117.03445	0.4
119.05001	0.4
121.02998	0.1
127.04002	0.7
134.03697	0.1
145.02948	1.2
161.02415	0.1
163.03995	1.1
167.97356	0.1
177.05548	0.1
180.87721	0.1
191.03575	0.1
191.05626	0.3
193.04970	0.1
211.06073	0.1
241.07208	0.3
315.63278	0.1
359.01837	0.1
378.07236	0.1
498.08038	0.1
549.15973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64698	0.2
61.98830	100.0
69.73376	0.2
70.29568	0.4
70.29935	0.4
88.79748	0.2
91.41579	0.2
109.42466	0.2
110.79761	0.2
141.99432	0.2
178.23045	0.2
251.42870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34275	0.6
55.54651	0.6
57.03456	1.5
58.00600	1.9
59.01381	32.2
60.99317	3.4
67.01893	6.2
68.99803	0.9
69.03466	1.7
69.44559	4.3
71.01385	24.2
72.99315	2.4
73.02957	2.0
75.00893	0.8
81.03465	2.0
83.01372	1.1
83.05039	2.0
85.02950	8.6
87.00876	12.4
88.45410	0.6
89.02451	25.7
93.03462	49.9
94.03755	0.9
95.01381	1.5
96.96037	2.6
99.00874	1.6
101.02451	14.2
107.05027	1.8
109.02992	1.4
111.04519	8.8
113.02460	7.9
119.03511	13.9
125.02441	1.1
127.04018	1.7
129.01933	1.7
131.03458	1.3
133.02942	1.9
134.03778	1.6
135.04530	100.0
136.04855	1.3
139.24063	0.6
143.03487	1.6
149.04544	1.0
151.03976	0.8
153.01949	1.2
153.05571	3.0
155.03578	3.3
161.02464	5.7
161.04527	3.4
173.04550	27.4
173.06038	1.6
177.01971	0.7
179.03496	30.3
179.05602	4.4
185.02826	1.8
191.05617	67.0
192.06006	0.8
221.04607	0.7
297.09787	2.0
323.07684	1.2
341.08813	3.0
353.08762	26.7
371.20459	0.7
389.06534	5.9
389.17688	1.3
389.22076	1.3
395.09747	1.2
499.75946	0.7
515.14056	57.3
516.14386	2.4
531.04407	0.6
551.11737	76.4
551.26843	31.3
552.12073	3.0
552.26978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30429	0.8
57.03460	1.3
59.01113	0.9
59.01374	6.9
69.96175	3.8
70.09770	0.8
71.01380	83.7
72.99307	23.3
73.54840	0.8
85.02943	1.6
87.00328	1.9
87.00873	39.5
93.03454	2.5
96.96005	4.6
96.96964	2.6
103.75726	0.9
115.00375	27.3
129.01952	7.6
133.01442	1.2
133.02937	1.6
147.02992	100.0
173.04527	1.5
191.05676	4.5
195.86966	1.1
325.71545	0.9
369.08109	2.3
527.68829	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
59.01382	9.4
65.29291	0.9
69.68405	5.0
71.01382	88.1
72.99307	30.1
78.95890	1.9
85.02938	2.0
87.00876	42.0
89.02412	1.5
93.03468	6.7
95.01305	0.8
96.96017	6.5
96.96959	3.0
101.02471	1.0
101.06086	1.1
109.75119	0.8
111.04485	0.8
115.00372	29.8
128.03490	0.8
129.01942	8.9
133.01413	2.1
133.02950	3.3
135.04530	1.4
137.02477	1.5
137.06047	1.1
147.02995	100.0
147.06610	6.7
148.03336	1.0
149.04507	0.9
162.49963	1.0
173.04517	2.5
177.01974	0.9
181.05017	3.4
191.05594	10.0
351.07001	1.7
369.08139	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	548.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.87650	0.4
75.00864	0.2
80.96519	0.6
96.66928	0.2
191.88846	0.2
253.21738	1.5
278.27228	0.2
346.01840	0.2
364.00330	0.2
435.46765	0.2
449.79596	0.2
467.31857	0.3
549.29626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86631	0.9
61.98831	100.0
91.17556	0.9
115.89793	0.9
135.89731	0.8
176.85045	0.8
185.94341	0.9
199.00232	0.9
204.02791	0.9
513.27899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38523	1.5
57.03427	1.8
59.01378	10.6
66.65452	1.5
67.01884	2.7
68.99802	1.7
69.03450	22.2
69.99700	7.2
71.01379	7.8
73.02966	1.8
76.96776	1.5
80.02676	1.9
81.03448	3.1
82.95435	1.8
83.01366	1.9
85.02934	5.1
87.00879	4.2
89.02429	4.3
93.03465	5.5
95.05017	10.2
96.96014	11.7
97.02956	19.2
98.95596	5.4
99.00867	1.8
99.04541	1.8
99.92562	1.8
101.02447	6.0
105.03466	4.4
106.04238	2.4
107.05006	1.9
108.02157	8.6
109.02981	1.5
113.02472	13.3
115.92071	1.9
116.51449	1.8
117.03487	3.9
118.77897	1.5
119.05016	3.0
121.06606	12.6
123.04527	79.9
132.02177	11.7
133.02956	11.5
134.03745	60.1
135.04507	7.0
136.01651	3.2
137.02441	2.6
147.04541	8.1
148.05319	8.3
149.06093	34.8
151.00348	5.8
151.03979	3.6
158.03638	2.1
160.01657	53.7
161.02446	19.2
161.04539	3.1
162.03098	1.5
163.00360	2.4
163.04041	3.6
167.07126	21.9
173.04520	3.3
173.06001	2.9
175.04010	76.2
176.04770	26.6
177.01913	6.1
177.05533	2.3
178.02696	7.2
178.99852	4.3
179.03523	4.4
191.05566	13.1
191.07132	36.8
192.04263	3.5
193.05048	100.0
194.05492	2.1
207.06592	12.9
211.06114	6.6
217.04982	4.9
220.03705	6.2
227.03447	2.4
235.06110	92.1
236.06418	2.1
243.02953	6.1
255.02931	15.7
265.07169	33.2
271.02466	27.4
281.06653	1.8
295.08231	54.8
299.12976	2.1
300.02762	51.7
301.03497	20.5
307.08359	1.8
331.86746	1.8
337.09247	43.8
355.10376	17.4
383.52737	1.5
505.09964	44.9
505.17038	5.8
549.15997	43.0
549.24109	2.8
550.16504	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07956	0.5
55.01884	1.1
57.03443	1.6
58.00594	3.5
59.01379	100.0
60.82414	0.5
63.10917	0.4
63.48685	0.4
69.28865	4.6
71.01381	58.7
72.99311	5.6
73.02950	2.4
78.98631	0.5
79.95734	2.2
80.96511	5.2
83.01399	4.5
84.02202	0.5
85.02951	11.7
87.00870	3.7
89.02445	79.0
90.02821	0.4
93.03475	1.2
94.33274	0.5
94.98093	1.1
95.01373	3.2
96.96025	5.8
98.95602	1.4
100.69409	0.4
101.02442	42.5
102.02774	0.6
111.00889	0.8
113.02448	23.9
115.92085	3.1
116.92859	1.6
119.03504	39.8
120.03828	0.5
121.03014	0.4
125.02438	1.2
126.38373	0.5
131.03517	3.7
134.03758	1.1
135.04585	0.6
143.03505	5.4
145.06624	1.0
147.08153	1.2
149.04553	3.3
152.98671	0.5
157.06691	1.0
161.02425	0.9
161.04546	5.8
164.98726	1.0
173.04604	1.2
175.07625	2.0
179.05608	11.6
179.14828	0.5
191.05603	2.8
192.05911	0.6
193.05060	1.1
225.00737	1.2
236.54396	0.5
237.07639	1.5
314.85193	0.4
317.05698	0.5
399.12955	16.7
400.13312	0.8
401.14551	1.1
417.24747	0.8
463.25403	0.9
504.98669	0.6
505.26468	1.5
549.16223	31.6
549.29340	1.1
550.16370	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.51915	0.8
57.03439	3.7
58.00575	1.0
59.01377	58.2
61.98807	3.5
67.01882	1.4
68.99811	12.4
69.03442	3.4
69.43644	7.0
70.83144	1.1
71.01379	42.0
72.23930	1.0
72.99293	2.4
73.02940	6.6
75.00860	2.0
79.40434	0.8
81.03446	1.4
83.01400	5.0
84.85002	0.9
85.02943	23.9
87.00854	3.5
88.98793	2.0
89.02441	31.0
90.65261	0.9
93.03423	2.5
95.01398	7.3
96.96018	6.4
97.02940	1.5
98.95600	2.3
99.00858	2.9
101.02439	57.4
104.23837	0.8
105.03412	1.0
111.00854	2.2
113.02445	39.8
117.03436	1.6
119.03487	8.5
119.04977	2.0
123.04526	25.2
125.02406	1.9
131.03494	5.9
135.04442	1.5
139.03964	1.1
143.03467	3.4
145.02908	3.7
147.04483	3.2
149.04555	8.7
161.04544	6.6
163.03989	2.8
163.11249	1.8
167.07098	1.2
168.58083	1.1
173.04454	2.0
177.01875	1.2
177.09090	1.5
179.03557	1.0
179.05550	4.0
181.47560	1.0
185.00899	1.6
191.05617	16.1
192.06047	1.0
194.26401	1.0
207.06621	2.8
207.10202	3.8
225.07692	11.7
225.14983	1.3
233.06694	1.4
247.39479	0.9
255.94971	0.9
387.11966	1.1
387.20395	13.6
489.19724	34.8
490.19754	1.2
549.21808	100.0
550.22168	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	549.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
57.03450	6.9
58.00597	3.4
59.01382	100.0
59.55455	0.9
61.98811	1.4
69.03456	3.9
69.25961	2.4
69.26364	8.2
71.01388	43.2
72.99319	3.5
73.02953	21.0
76.32965	1.0
81.03458	2.5
83.01390	6.1
85.02963	18.5
87.00888	5.9
87.04530	1.8
89.02451	31.8
92.91894	1.5
93.03461	8.0
95.01373	2.6
96.96014	16.9
97.02935	7.3
98.19887	1.8
98.95602	4.0
99.00883	2.7
99.04554	1.2
101.01796	2.1
101.02451	38.1
103.04018	33.3
105.03484	3.7
107.05037	1.3
108.74863	1.1
113.02475	4.4
115.04046	1.9
115.92072	2.1
116.92877	4.9
117.03471	2.2
118.03159	1.0
119.03517	15.2
119.05035	4.6
121.03027	1.2
123.04533	37.2
125.02457	35.5
127.04026	3.9
131.03517	2.1
133.02995	2.2
135.04524	3.0
135.08170	4.5
137.02502	1.6
143.03487	5.8
143.10689	1.1
145.02994	6.1
145.05069	5.6
148.05351	2.0
161.02464	4.8
161.04599	2.1
161.06149	1.1
163.04007	4.8
163.06129	46.8
163.07655	39.2
165.05664	1.3
170.32420	1.3
173.04538	1.5
179.03554	1.7
181.05098	1.2
181.07333	1.1
181.08675	6.3
191.05600	6.4
193.05008	2.1
205.07132	5.2
219.40515	1.1
247.08255	7.3
289.09268	2.8
307.10339	65.5
308.10513	1.4
341.08755	1.6
349.18735	1.1
487.07010	2.1
489.19724	15.8
492.13763	1.2
505.14560	1.3
549.16144	3.2
549.24799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51847	0.3
58.21090	0.3
59.01379	100.0
60.01693	0.4
61.98838	1.7
67.09003	0.3
71.01323	0.5
75.00838	0.3
75.79922	0.3
96.95995	0.8
108.07512	0.3
111.78082	0.3
120.41286	0.3
157.62674	0.3
162.15077	0.3
196.85597	0.3
323.13983	0.5
326.27380	0.3
329.04727	0.3
354.18576	0.4
394.49719	0.4
461.19507	0.4
547.35950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76831	0.2
59.01382	100.0
60.01707	0.3
61.98842	0.7
67.61467	0.2
68.99580	1.2
69.47467	1.3
75.00871	0.3
87.00938	0.2
96.96024	0.6
102.89314	0.2
112.98572	1.6
113.99947	0.2
125.84103	0.2
125.87340	0.3
127.87096	0.2
142.06639	0.3
162.84000	0.2
222.61484	0.2
258.47989	0.2
323.14111	0.8
461.18866	0.3
474.15039	0.7
475.15424	0.7
487.33975	0.6
547.18585	0.3
547.31177	0.8
547.37421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1666
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
57.03448	3.2
59.01378	7.4
67.01890	4.9
68.99825	5.1
69.25801	2.6
69.26218	1.9
69.99167	0.5
71.01379	5.7
71.05038	0.9
72.74731	0.5
73.02972	1.1
77.57840	0.5
80.96539	1.5
81.03451	3.2
83.01392	0.7
85.02975	2.4
87.00896	1.0
89.02441	4.8
93.03468	1.3
95.01402	0.5
95.19600	0.5
95.30270	0.5
96.96013	6.5
97.02946	1.1
99.04520	11.5
101.02451	13.2
107.05077	0.6
109.02949	3.8
111.00889	0.9
111.04553	0.8
113.02450	2.2
115.04026	1.3
117.05598	1.1
119.03526	1.3
119.05013	1.7
121.02991	3.4
123.04517	1.6
125.02463	3.0
127.04024	13.0
133.02962	1.9
134.03674	0.6
135.04552	1.7
137.02448	0.9
137.06096	1.0
139.04015	1.4
141.05602	0.5
143.03500	100.0
144.03798	0.9
145.02966	0.8
147.04529	1.7
149.02484	0.5
160.03952	0.8
161.02518	3.7
161.04561	7.5
163.03989	1.1
165.05606	4.0
167.03368	0.5
173.02458	0.6
173.04515	1.1
177.05582	1.1
179.03354	0.7
179.05663	1.2
191.03510	2.5
191.05612	8.0
193.05035	1.2
209.04475	2.5
223.05975	0.8
241.07164	6.1
263.07703	1.5
309.09772	1.6
320.25983	0.7
323.09830	1.4
345.11658	0.7
353.08670	1.2
353.32153	0.6
354.14832	0.5
385.11188	0.7
403.12411	1.2
455.12051	0.9
471.14960	5.9
487.14163	0.9
515.14075	11.6
516.14349	0.8
547.16534	36.9
548.16785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1669
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
53.92066	1.5
57.03454	58.6
59.01385	64.1
61.98825	6.1
67.01889	8.7
68.99815	12.5
70.86806	3.0
71.01388	37.7
72.99301	4.5
73.02943	5.0
81.03476	3.0
83.01376	3.3
85.02957	18.6
87.00879	5.5
89.02442	32.5
93.03465	7.3
95.01385	3.7
96.96017	38.2
97.02918	3.0
99.00845	2.5
99.04527	61.9
100.41727	1.4
101.02451	63.0
109.02964	4.4
111.00896	3.3
111.04505	1.8
113.02454	24.9
115.00401	1.5
119.03505	11.7
121.02934	5.5
123.04515	1.8
125.02457	25.1
127.04020	49.0
131.03551	1.8
133.02956	4.8
135.04541	3.6
138.06839	2.4
143.03503	8.1
145.02940	5.6
147.04446	1.6
149.02463	1.3
149.04536	1.6
152.08463	2.1
153.09241	9.1
161.02510	12.7
161.04552	26.9
163.04054	3.0
165.05481	2.0
172.43024	1.3
173.04555	3.4
173.80779	1.4
174.60428	1.3
177.05553	3.8
179.03444	2.4
179.05588	13.2
181.13718	1.3
185.82550	1.3
191.03516	9.3
191.05605	25.7
192.05875	1.9
193.04994	6.8
205.05032	6.8
205.12308	7.8
223.06120	10.8
223.13397	2.3
241.07204	43.4
283.08231	7.3
323.09607	2.7
352.07883	1.7
352.58261	2.8
353.08435	2.3
379.07635	1.4
385.11627	8.1
385.18726	5.2
385.37018	1.3
403.07697	1.8
403.12537	19.2
445.13611	8.3
458.30695	1.5
485.16617	1.9
487.25583	1.6
503.17657	1.6
547.16602	100.0
547.24048	37.4
548.17078	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	547.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.01383	1.0
63.99835	0.1
67.01890	3.7
71.01395	0.6
73.02930	0.1
83.01386	0.3
85.02979	0.5
87.00876	6.0
89.02442	0.9
93.03456	0.3
96.96013	2.5
98.95541	0.1
99.00859	0.2
101.02448	0.6
111.00880	100.0
112.01218	0.9
113.02428	0.2
117.45367	0.1
120.24609	0.1
121.02918	0.2
131.03490	0.3
133.03009	0.1
135.04538	0.1
149.04568	0.5
154.99873	0.3
161.02460	0.2
161.04546	0.2
173.00905	16.1
173.67484	0.1
174.01213	0.2
179.03490	0.1
179.05704	0.1
191.05609	1.1
192.05952	0.1
280.60992	0.1
547.14789	0.2
547.23322	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01377	1.2
61.98279	0.2
67.01890	3.8
69.97744	0.6
71.01386	0.7
80.96513	0.2
82.95413	0.8
83.01375	0.5
85.02943	0.8
87.00874	9.8
89.02455	0.6
96.96010	4.5
98.95590	1.7
98.96388	0.3
99.00932	0.2
101.02420	0.5
102.52877	0.2
111.00877	100.0
112.01223	1.5
113.01299	0.2
117.29810	0.2
130.99893	0.3
149.04582	0.3
154.99840	0.4
173.00899	15.0
174.01254	0.2
191.05664	0.6
219.54631	0.2
311.09634	0.2
356.61230	0.1
434.47449	0.2
448.92038	0.2
473.01123	0.2
493.32800	0.2
547.23926	6.8
548.24371	0.5
550.45874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01013	0.3
57.03449	0.8
58.64943	0.3
59.01371	3.1
60.99298	1.5
65.03937	0.4
67.01891	4.6
69.03452	1.4
71.01385	1.9
73.02943	0.6
81.03455	1.2
83.05016	0.8
85.02448	0.5
85.02955	8.4
87.00876	7.6
87.01374	0.6
93.03459	29.6
94.03786	0.4
96.96000	0.4
98.53318	0.3
99.00870	0.7
99.04536	0.8
109.02962	1.1
111.04518	4.5
113.02422	0.4
127.04030	1.9
129.01953	0.8
136.01682	0.6
137.02455	2.2
153.01941	0.4
154.02733	1.3
155.03505	1.2
155.05019	0.4
158.03694	0.4
158.07385	1.5
159.04546	1.6
171.02966	1.2
171.04356	0.4
172.05276	1.0
173.04555	18.8
173.06038	1.2
174.06799	0.9
177.01816	0.3
183.04468	1.3
185.06094	0.5
186.06870	3.4
187.07631	4.0
188.08447	0.3
189.04022	0.7
189.05559	0.7
189.09190	1.6
191.05606	100.0
192.05952	1.3
197.11826	0.8
199.03925	0.9
200.04826	2.3
200.08408	0.4
201.05545	2.2
201.09195	1.3
202.06323	0.5
203.06947	0.4
211.07628	1.2
211.13411	0.6
212.08330	1.7
213.09190	0.3
214.06361	2.5
215.07115	22.0
216.07495	0.8
227.03438	1.3
227.07092	0.6
228.07928	1.2
229.08655	3.0
230.09471	0.6
231.06810	0.6
231.10165	0.8
232.03487	0.4
232.05768	0.5
233.06625	2.6
251.16437	0.4
253.09233	0.9
255.06561	2.5
256.07413	12.8
257.07895	0.6
274.08420	0.7
275.09018	0.3
283.19131	0.3
291.19623	1.3
309.20657	2.7
311.12775	0.6
353.13797	2.1
370.75610	0.3
371.15179	0.8
373.97086	0.3
405.11768	0.4
419.13809	0.5
447.12967	0.3
449.77707	0.4
545.20300	21.7
546.20319	1.0
566.37683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01382	1.0
61.98835	0.3
62.58176	0.1
62.89384	0.2
67.01897	3.8
69.03432	0.3
71.01398	0.8
81.03477	0.2
81.79316	0.1
82.47784	0.2
82.95425	0.3
83.01401	0.2
83.05016	0.2
85.02964	2.0
87.00882	6.4
93.03466	3.1
94.98119	0.2
96.96018	1.1
101.02422	0.4
109.02977	0.3
111.00888	100.0
112.01221	0.6
113.02438	0.3
127.04061	0.4
133.02936	0.3
135.04535	0.3
137.02463	0.3
149.04480	0.2
154.99852	0.3
161.04543	0.2
171.03058	0.2
173.00920	14.4
173.04514	1.9
177.01935	4.8
191.05618	23.1
192.05945	0.4
199.07515	0.2
203.20126	0.2
211.07652	0.2
225.09186	0.5
233.06793	0.2
253.08716	0.3
254.09525	0.2
255.13899	0.3
281.08087	0.2
283.13446	1.1
295.09738	0.3
311.12903	0.5
324.10046	0.2
325.14651	0.2
327.12451	0.2
327.15930	0.6
353.09558	0.2
353.13922	5.1
354.14496	0.2
371.15045	0.7
545.12994	0.3
545.21790	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72774	0.5
59.01380	5.2
60.99312	14.8
61.98854	0.6
67.01878	0.9
69.03455	0.5
71.01389	3.3
71.56644	0.7
72.18307	0.4
72.68379	0.5
72.99316	0.6
73.02962	0.5
75.00876	2.4
79.95751	1.0
80.83708	0.4
81.03458	0.5
83.01456	0.5
84.95100	0.6
85.02970	2.8
87.00868	2.2
88.00381	0.8
88.98814	100.0
89.02448	11.7
93.03462	3.6
96.96019	20.8
98.95586	0.7
99.04513	0.5
101.02446	2.1
102.18419	0.4
109.02982	0.7
111.00891	13.7
111.04464	0.4
113.02425	0.6
121.02969	1.2
123.99951	0.5
125.02430	0.7
133.02989	0.8
135.04562	0.9
137.02461	1.4
137.68298	0.5
143.03513	0.6
149.04596	0.7
161.02408	1.1
161.04538	1.0
173.00928	2.6
173.04559	2.5
173.05846	0.5
176.04100	0.6
177.01930	0.7
181.37613	0.5
191.05623	12.8
191.07358	0.7
192.06000	2.8
193.06110	1.4
197.04573	1.4
255.03076	1.5
284.03299	2.5
285.04001	2.1
293.08807	1.0
323.09210	0.8
353.13776	0.6
367.08279	0.6
380.56683	0.5
415.23489	1.2
447.09262	3.7
449.14474	0.5
517.99939	0.5
547.28217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.6
51.12086	0.5
55.01878	3.3
55.35239	0.4
57.45252	0.5
58.11978	0.5
59.01380	3.8
61.98838	0.6
67.01897	1.1
69.03458	100.0
71.01374	3.6
71.55165	0.7
71.77370	0.5
72.99313	2.1
79.01899	2.7
80.96527	1.9
83.01463	0.5
84.57644	0.5
85.02944	3.0
87.00929	0.5
89.02452	1.6
93.03463	2.3
95.01394	3.2
96.96014	1.8
97.02953	19.9
99.00884	26.8
99.04488	0.9
101.02472	2.0
109.06609	0.7
111.00886	2.1
113.02482	1.3
123.00881	2.2
135.04553	0.9
135.08176	2.2
141.01929	9.0
143.03488	6.3
145.02884	0.6
153.09224	2.3
161.02420	1.4
161.04530	1.4
162.60768	0.5
168.19127	0.5
173.04535	1.0
185.00916	97.9
186.01283	1.0
191.05621	8.4
192.05888	0.8
197.08118	1.1
203.01915	0.6
257.20758	0.5
321.71173	0.5
347.17029	0.7
356.75745	0.5
359.13376	1.6
408.88599	0.6
527.17316	1.6
545.14758	27.2
546.15021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01381	2.0
60.99292	0.4
61.98828	1.5
67.01897	1.2
69.03423	0.6
71.01383	1.4
71.10069	0.5
73.02955	0.3
73.77122	0.3
78.95888	2.0
79.95741	3.0
81.03449	0.4
85.02949	4.4
87.00878	3.0
89.02449	0.6
93.03458	9.1
95.01372	0.4
96.96012	100.0
96.96894	3.4
99.00887	0.4
99.04536	0.6
101.02431	0.4
109.02965	0.4
111.00894	0.5
111.04523	1.5
127.04037	0.7
129.01942	0.4
135.04533	0.7
137.02452	0.4
155.03532	0.4
158.79295	0.3
160.02333	0.3
161.02379	0.4
173.04539	7.4
179.05655	0.3
187.07558	0.3
191.05611	44.0
192.05986	0.9
197.06012	0.3
211.04070	0.3
211.07698	0.7
214.06372	0.5
215.07161	0.5
225.09258	0.4
226.06259	0.9
227.03426	0.4
229.08876	0.3
233.06720	0.8
239.07108	0.8
251.10777	0.5
252.08148	0.4
253.08653	0.8
254.09486	0.4
255.13860	0.9
267.10245	0.4
275.86722	0.3
280.10837	0.4
281.08347	0.5
281.15491	0.5
283.13290	1.7
295.09799	0.5
309.14969	1.1
311.12915	0.9
323.08990	0.3
324.09912	0.8
325.14343	0.6
327.12555	0.6
327.16034	1.1
353.13922	11.5
354.14035	0.3
371.14993	2.8
470.60910	0.3
482.17355	0.4
527.18872	0.3
545.20203	4.7
545.28143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01384	3.1
60.99305	1.0
64.95037	0.4
67.01894	3.1
69.03440	1.1
71.01385	1.7
73.02960	0.4
81.03469	0.6
81.11059	0.5
83.05052	0.7
85.02950	10.9
87.00879	7.4
91.95919	0.5
93.03458	20.9
96.96016	6.3
98.20729	0.9
99.00879	0.5
99.04549	0.5
105.42195	0.5
109.02964	1.6
111.04525	3.3
125.02500	0.5
127.04014	2.5
129.01976	0.7
135.04538	0.7
136.01631	2.5
137.02467	3.2
153.01950	0.7
154.02736	4.1
155.03471	0.5
158.03775	1.0
159.04514	5.5
171.02994	3.8
172.05324	1.5
173.04543	11.9
173.06059	4.7
174.06860	2.5
175.07668	0.5
177.01897	1.3
185.06100	1.2
186.06816	2.3
187.03984	0.6
187.07632	8.9
188.08525	0.6
189.03983	1.8
189.05536	0.6
189.09212	4.0
191.05612	100.0
192.06021	1.2
199.07675	0.6
200.04764	4.4
201.05573	3.8
201.07190	0.7
201.09196	1.9
202.06287	1.5
203.07059	1.0
211.07607	1.0
212.08347	0.7
213.05490	1.1
213.09183	1.8
214.06372	1.5
214.09836	0.6
215.07124	68.2
216.07474	1.3
227.03456	1.0
227.07051	0.8
228.07904	0.6
229.08762	3.7
230.09439	1.2
231.06648	1.3
231.10193	2.3
232.03725	1.4
232.05836	0.5
233.06555	0.9
255.06766	2.7
256.07553	2.2
258.08820	0.6
264.04895	1.2
275.09198	0.7
341.37555	0.5
353.14001	1.0
355.29535	0.5
380.33392	0.5
398.21036	0.5
405.11926	1.8
419.13254	1.3
448.13742	1.3
459.16873	0.9
545.20270	41.4
546.20575	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	545.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01378	6.1
61.98831	4.4
67.01890	1.7
69.03452	0.2
71.01385	2.1
71.55864	0.4
72.01747	0.2
73.02942	0.4
75.00875	0.3
78.95914	0.3
79.95737	3.2
80.96507	2.0
82.96103	0.8
85.02951	2.0
87.00880	4.4
89.02457	1.1
93.03456	1.4
94.98068	0.6
96.96014	100.0
99.00887	0.5
99.04494	0.3
101.02442	1.3
104.55070	0.2
111.00883	47.4
112.01235	0.6
113.02435	0.5
120.69002	0.2
125.02500	0.5
127.04065	0.3
133.02966	0.3
134.03751	0.3
145.02989	0.3
149.04517	0.4
164.98659	0.3
173.00899	7.0
173.04562	0.9
191.05627	8.0
191.07352	0.4
192.05914	0.5
227.03442	0.4
229.01491	0.3
232.73849	0.2
238.06505	0.2
255.03065	0.9
265.04922	0.5
266.05801	1.3
267.06693	0.3
277.05075	0.3
281.08218	0.6
284.03241	1.0
285.04037	0.3
293.04611	0.3
294.05322	0.4
309.07712	0.5
353.06595	3.9
353.10461	0.5
429.28250	0.2
431.00928	0.2
434.18747	0.8
437.58029	0.3
447.09235	1.5
475.59256	0.3
514.26086	0.3
526.17188	0.3
527.16687	1.2
544.18085	0.4
545.18060	1.3
545.24615	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	5.1
59.01385	92.4
61.03413	4.0
68.99821	7.2
71.01369	12.3
71.54935	6.9
74.99396	8.4
86.99368	8.0
93.03407	5.2
101.00951	7.7
101.02467	8.8
102.98893	5.9
113.00940	8.2
117.00405	9.9
119.04997	5.2
127.04005	8.7
129.00482	4.9
130.98340	7.3
141.00468	17.7
141.01682	71.6
143.99178	8.4
147.04578	7.7
151.31024	4.3
153.00432	4.8
161.02417	5.4
175.02640	5.1
175.04260	4.3
175.06081	4.6
177.04076	7.5
191.01979	9.0
191.05597	24.2
201.02548	14.5
203.02002	6.3
205.03578	9.2
209.04474	4.9
221.12611	4.2
231.01508	8.8
233.03226	6.7
243.03531	7.9
245.03012	6.1
263.04028	8.1
272.29938	4.5
273.02640	7.9
291.03513	7.8
305.05151	6.2
319.02695	5.1
323.06296	23.0
365.07101	9.3
393.07025	10.2
411.07693	15.4
425.04050	7.4
425.09442	100.0
453.09012	25.2
485.05338	5.0
485.11594	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53714	0.8
59.01382	24.9
60.89793	0.8
61.98828	1.9
64.61070	0.8
65.83239	0.8
67.01888	9.8
68.99812	13.9
69.03121	1.2
69.03456	12.3
69.49935	5.7
69.63009	0.9
71.01380	16.1
71.95840	0.8
73.02935	5.7
75.00863	1.3
81.03457	2.0
83.01380	3.0
83.05016	1.5
85.02939	1.9
87.00878	21.3
87.04495	0.9
89.02443	4.1
91.05521	1.1
93.03439	3.0
95.01402	2.0
95.05002	3.2
96.95998	5.9
97.02954	16.1
98.17283	0.8
99.00879	2.0
99.04496	1.9
101.02442	31.0
101.06009	1.2
105.03477	1.0
107.05013	2.7
109.02958	10.1
111.04480	2.8
113.02465	5.5
113.06042	1.6
115.04005	23.0
117.03391	1.4
119.03460	1.0
119.04999	3.2
121.02969	8.9
123.04513	3.8
125.02436	1.8
127.04018	37.0
131.03476	1.6
133.02931	2.9
133.06554	1.5
135.04523	4.4
137.02411	1.0
137.06117	1.8
139.04015	6.8
141.01936	19.1
145.02917	2.4
147.04500	2.9
149.02399	1.6
151.03963	2.1
153.05515	1.3
155.03560	1.1
157.05077	1.3
159.02991	18.3
161.02429	8.0
163.03966	2.5
165.05580	3.9
173.02356	0.9
173.04520	1.0
176.01114	2.5
177.05515	2.4
179.03511	1.2
181.04971	1.6
183.03032	1.1
191.03468	7.3
191.05507	3.2
193.04990	3.6
195.06554	1.3
201.03947	2.1
205.05087	1.7
207.06743	1.1
209.04509	5.5
223.06044	1.6
231.05038	1.5
241.07179	5.7
245.08113	3.6
261.06009	5.0
279.08643	2.4
289.07089	3.7
303.07181	5.7
307.08185	5.8
321.08493	3.7
331.08124	2.5
333.55396	0.9
349.09259	2.8
439.12427	1.2
441.13968	5.7
469.13474	14.3
501.16141	1.0
513.12427	26.2
514.12640	1.3
545.15021	100.0
546.15216	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	545.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01378	6.1
61.98831	4.4
67.01890	1.7
69.03452	0.2
71.01385	2.1
71.55864	0.4
72.01747	0.2
73.02942	0.4
75.00875	0.3
78.95914	0.3
79.95737	3.2
80.96507	2.0
82.96103	0.8
85.02951	2.0
87.00880	4.4
89.02457	1.1
93.03456	1.4
94.98068	0.6
96.96014	100.0
99.00887	0.5
99.04494	0.3
101.02442	1.3
104.55070	0.2
111.00883	47.4
112.01235	0.6
113.02435	0.5
120.69002	0.2
125.02500	0.5
127.04065	0.3
133.02966	0.3
134.03751	0.3
145.02989	0.3
149.04517	0.4
164.98659	0.3
173.00899	7.0
173.04562	0.9
191.05627	8.0
191.07352	0.4
192.05914	0.5
227.03442	0.4
229.01491	0.3
232.73849	0.2
238.06505	0.2
255.03065	0.9
265.04922	0.5
266.05801	1.3
267.06693	0.3
277.05075	0.3
281.08218	0.6
284.03241	1.0
285.04037	0.3
293.04611	0.3
294.05322	0.4
309.07712	0.5
353.06595	3.9
353.10461	0.5
429.28250	0.2
431.00928	0.2
434.18747	0.8
437.58029	0.3
447.09235	1.5
475.59256	0.3
514.26086	0.3
526.17188	0.3
527.16687	1.2
544.18085	0.4
545.18060	1.3
545.24615	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.3
61.98821	26.6
69.34397	83.2
78.95930	10.5
79.95747	12.7
84.27115	9.9
91.76543	9.0
91.91068	9.6
96.96016	100.0
96.96963	12.6
113.09694	13.1
125.74899	10.0
145.03032	9.3
186.28394	11.0
191.05670	9.9
238.82329	9.0
293.21298	48.3
445.29590	11.0
461.23129	21.2
461.32715	29.3
463.23364	27.2
476.89307	13.6
487.33856	14.1
488.30878	10.6
505.34888	12.3
543.32996	42.7
549.95349	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54002	0.4
57.03461	0.9
59.01376	1.2
61.04968	0.4
61.98831	2.8
64.16537	0.4
70.54312	1.4
73.02943	1.3
96.96023	0.8
111.00873	0.6
121.64545	0.4
127.01628	0.4
135.04497	0.4
173.04518	0.5
207.10313	0.7
209.11789	1.0
225.11345	1.0
236.73758	0.4
260.86218	0.5
275.24649	0.4
431.31592	0.6
439.31989	2.8
461.23792	1.5
461.73645	0.8
487.34283	1.7
497.19806	0.5
503.33813	6.0
504.34647	0.5
505.35361	100.0
506.35611	5.5
523.25269	0.5
541.32819	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2292
Annotation	Agnucastoside A
Peak:m/z	Relative Intensity
57.03440	6.8
58.00596	1.8
59.01102	2.8
59.01380	34.8
59.01665	1.2
61.98828	18.0
68.99799	2.5
69.03471	10.4
71.01382	27.4
71.05080	1.7
72.99303	2.6
73.02949	7.8
75.00867	3.0
78.91885	17.3
79.95742	1.8
80.96494	2.2
81.03465	4.8
82.95416	12.1
83.01405	2.0
83.05016	18.1
85.02943	14.4
87.00890	12.5
89.02438	9.4
93.03465	16.4
93.07124	2.6
95.01430	3.5
95.05048	4.1
96.96013	22.2
97.02956	2.8
97.06554	2.3
98.20705	3.5
99.00880	3.9
101.02440	12.0
107.05037	61.3
108.02220	2.9
109.06625	4.3
111.00938	2.1
111.08135	3.2
113.02477	13.4
119.05072	2.7
121.02950	2.6
121.06594	6.3
123.04539	22.7
123.08162	2.5
125.02461	4.4
125.06081	60.7
127.04061	1.9
127.07637	9.0
128.26021	2.3
131.05017	2.2
133.02936	2.6
133.06586	8.6
134.03688	5.4
135.04524	5.5
137.02489	2.2
137.06107	7.8
139.11310	7.9
149.06047	13.1
151.07649	89.1
155.07155	5.0
160.01704	2.0
161.02472	4.2
161.04555	6.5
167.07149	9.6
169.08701	57.3
171.13879	4.2
173.04556	4.8
175.03954	2.6
179.03543	4.0
183.10258	33.9
185.11829	10.7
191.05612	24.4
193.05055	25.7
195.06639	4.8
197.11835	8.3
199.13454	6.4
209.11905	1.8
213.07695	49.9
217.06873	1.8
225.11330	9.1
227.12895	8.3
257.13773	2.4
349.22324	3.8
357.11890	60.0
358.12366	2.3
375.12939	24.1
449.14334	4.5
481.26688	5.5
541.23053	100.0
542.23016	5.4
547.97443	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.242
Annotation	Sapxanthone
Peak:m/z	Relative Intensity
52.11536	3.1
54.15719	2.6
56.43466	3.0
56.82593	2.9
59.01374	8.9
61.98828	7.8
69.52975	18.4
69.53396	5.2
71.01372	5.0
78.95947	3.7
89.16180	2.9
96.96019	4.3
101.02448	2.9
122.03727	4.2
124.79870	3.2
134.98088	2.7
143.83134	3.1
150.03246	32.2
165.05577	57.4
180.07225	3.0
183.10321	3.3
190.90163	3.1
191.05550	8.8
213.07730	4.1
481.22885	4.5
484.66299	3.2
505.26736	6.2
541.16974	6.1
541.24261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
60.99310	13.5
61.98827	3.4
69.26099	4.9
71.01397	4.2
73.02947	0.9
78.11588	0.6
78.95918	2.4
78.98598	0.7
79.95737	1.4
80.96524	6.5
81.93510	0.5
85.02958	2.3
87.00882	1.4
88.00403	0.8
88.98808	100.0
89.02457	6.9
93.03468	3.7
94.98090	1.2
96.96017	4.5
101.02438	2.0
108.02161	1.7
109.02969	0.9
109.06611	1.8
109.82927	0.7
111.00874	5.3
111.04525	0.9
113.02463	1.2
120.99657	0.9
121.41992	0.6
125.02403	0.8
131.03481	0.7
135.04523	1.4
137.02390	0.7
137.06123	0.7
148.99135	0.8
149.04578	2.1
152.99591	2.7
161.02414	1.9
163.11354	0.7
164.98686	1.4
171.10289	0.8
173.04622	1.0
181.04987	1.2
191.05626	6.4
197.11842	0.9
205.29726	0.6
207.10289	2.2
209.11845	2.3
225.00726	2.4
225.11275	1.4
239.05556	1.0
251.07553	0.6
315.45572	0.6
364.20944	0.6
371.27783	0.6
413.63696	0.7
481.22928	3.5
510.18948	0.7
541.16003	17.9
542.16833	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28357	0.4
59.01374	1.9
61.98822	1.3
63.96216	0.6
66.26648	0.3
68.43021	0.3
69.03437	0.8
70.88068	0.7
71.01385	6.2
73.02950	1.3
78.95895	2.2
78.98595	5.1
79.95736	7.0
80.96517	46.7
81.03461	0.7
85.02953	2.3
85.03412	0.4
87.00871	2.3
88.98802	0.8
89.02464	0.6
93.03471	0.7
94.68578	0.3
94.98088	11.3
96.96014	2.9
97.02935	1.0
99.00876	0.5
99.04517	0.5
101.02444	2.5
106.98109	2.2
109.06580	1.6
111.00848	0.8
113.02387	0.4
122.97571	3.2
125.02444	2.4
127.04034	0.7
134.97566	2.8
136.99150	1.0
137.02466	1.4
148.99126	4.4
152.98618	5.6
152.99641	1.7
163.11259	0.9
164.98615	9.9
167.00201	0.7
179.10796	0.8
182.91708	0.3
182.99692	1.4
191.05605	2.3
197.11827	6.5
206.99638	2.5
207.10240	2.1
209.11821	1.3
225.00742	19.8
225.11285	1.1
226.01080	0.4
241.01199	0.9
241.10825	1.9
243.01822	1.5
299.04318	2.1
315.14447	1.1
443.22791	0.3
481.23349	0.5
541.15979	100.0
542.16345	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	539.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38403	1.3
51.39972	1.1
53.95032	1.1
58.00588	2.9
59.01383	62.0
61.98830	9.3
67.35753	1.4
69.03466	2.0
70.59258	2.5
70.59648	2.9
71.01387	56.9
72.97533	1.5
72.99313	2.5
73.02962	14.6
78.95905	3.3
83.01387	1.9
85.02961	8.2
87.00883	4.9
88.98837	1.4
89.02448	100.0
93.03467	2.6
95.05085	1.2
96.96007	11.1
97.02947	1.7
99.00879	28.7
99.04546	1.9
101.02451	35.5
109.03008	2.6
113.02444	11.2
115.04014	1.6
119.03520	7.7
119.05005	1.7
123.04520	1.4
125.02447	6.2
131.03514	15.7
135.04562	1.5
137.02386	1.2
143.03476	2.0
149.04567	62.7
152.99602	1.4
158.18721	1.2
161.02466	1.7
161.04539	5.0
165.05548	2.4
191.05626	24.5
192.05943	1.9
221.06595	3.7
233.06752	2.4
251.07715	7.1
293.08716	5.2
299.11899	1.3
311.09818	1.5
328.55969	1.4
379.15808	1.8
409.88708	1.5
479.21368	83.5
480.22092	2.6
539.19244	2.8
539.26733	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	539.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03444	2.0
58.00597	1.1
59.01381	26.7
61.98814	2.1
67.01910	1.1
69.03459	2.0
69.13831	0.6
70.07131	0.7
70.58738	0.6
71.01385	31.8
71.54977	1.2
72.97536	0.9
72.99304	2.4
73.02952	10.9
75.00867	1.9
77.86776	0.7
82.95418	0.8
83.01389	2.7
85.02954	10.8
86.07572	0.8
87.00882	3.0
88.98798	3.0
89.02444	27.7
93.03474	4.8
95.01377	2.7
96.96017	4.2
97.02935	1.1
99.00883	10.1
99.04520	2.0
101.02442	22.3
108.02185	4.1
109.02957	4.3
111.00872	2.0
111.04520	1.1
113.02460	10.4
115.04028	1.4
117.03436	0.9
119.03493	5.7
119.04989	0.8
120.99665	11.6
121.02963	1.5
123.04475	0.9
125.02453	3.0
125.09729	0.8
126.31126	0.8
127.04031	1.2
131.03542	4.2
133.02943	1.8
135.04472	1.7
137.02496	1.8
137.09712	1.3
139.04044	0.7
143.03499	1.5
145.02977	4.5
149.02446	0.7
149.04575	7.8
151.04082	0.8
152.01163	3.1
153.01942	2.6
155.10788	3.2
159.03024	1.2
161.02510	4.4
161.04549	7.3
163.04095	0.8
165.05472	1.0
167.03470	0.9
168.03456	0.7
168.58728	0.8
173.04559	2.3
177.01894	0.8
179.03526	1.2
179.05614	1.1
185.11784	1.4
191.05598	19.0
192.05858	1.1
221.06639	1.3
233.06561	4.0
251.07742	1.1
293.08676	1.5
315.07059	0.9
347.17123	8.1
417.11957	3.9
447.13010	1.4
449.14499	1.0
479.21320	100.0
480.21716	4.6
521.12646	1.1
539.14453	4.2
539.17456	3.3
539.26318	1.2
540.18774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26963	1.4
57.03477	2.3
57.09481	1.7
59.01381	25.4
60.99311	5.3
61.98837	3.5
62.42396	1.5
69.28799	14.3
71.01382	19.4
72.51736	1.4
72.71957	1.7
73.02953	4.9
75.00877	7.4
85.02954	16.6
87.00913	3.7
88.98817	27.4
88.99337	1.7
89.02448	27.4
93.03470	7.4
96.96011	7.6
98.19849	3.2
99.00864	7.5
101.02457	15.1
109.02973	3.0
111.00929	2.9
111.04590	2.1
113.02469	5.1
119.03512	2.0
125.02502	2.8
127.04001	2.3
131.03554	4.3
137.02400	1.8
149.04570	28.1
159.04597	2.0
160.01723	2.6
161.02466	2.4
161.04570	3.6
173.04626	5.6
175.04054	3.9
187.07724	7.2
191.05623	100.0
192.06021	3.8
194.64520	1.7
215.07243	1.5
221.06764	5.5
251.07870	4.2
257.08170	14.3
272.09109	1.5
293.08932	3.9
311.09854	3.6
342.41986	1.7
449.14819	5.0
477.20395	1.6
503.25049	23.7
503.31564	2.0
538.69165	6.0
539.22894	89.9
539.69904	1.9
540.23444	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	539.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01883	0.5
52.20944	0.6
59.00153	0.5
59.01385	15.1
59.57197	0.5
63.27434	0.5
64.62576	0.5
70.93622	1.2
71.01381	1.8
73.02927	0.6
75.10273	0.5
77.67099	0.5
79.95750	8.1
80.96529	3.4
83.01415	0.6
85.02961	1.5
95.95248	1.6
96.96018	100.0
101.02437	2.1
103.00387	10.9
111.98652	0.6
122.97672	0.5
123.04520	0.7
138.97169	0.6
150.97125	1.0
152.98633	1.9
164.98653	3.6
179.71463	0.5
180.98035	2.7
241.00197	3.5
335.98636	0.6
435.17075	2.8
453.18018	97.0
454.18777	2.4
495.19077	44.0
496.19412	1.9
521.16663	1.7
539.18060	68.7
540.18518	2.2
547.62006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00943	0.8
51.05034	0.9
55.01864	2.0
57.03432	2.1
58.00579	2.1
59.01380	15.1
67.01889	1.2
68.88294	0.9
69.03454	20.3
71.01386	13.3
71.55931	1.5
73.02934	3.3
75.00889	2.2
79.05528	2.3
79.95722	1.9
80.82684	0.9
80.96518	3.6
81.03452	1.4
83.01405	0.9
83.05006	1.3
85.02959	4.8
87.00903	1.8
88.98821	1.6
89.02446	6.7
93.03481	4.4
93.07088	2.6
95.01455	1.1
95.05026	8.4
96.96017	7.1
97.02953	14.9
97.06573	1.0
98.95588	6.7
99.00867	1.8
101.02451	6.9
103.41267	0.9
105.03452	1.8
106.04229	2.8
107.05006	2.6
108.02172	7.9
109.06603	2.7
111.00845	1.1
111.08145	3.4
113.02444	8.3
113.06037	1.2
119.03484	2.7
119.05018	1.1
121.02916	1.1
121.06601	18.0
123.04527	80.6
123.08141	1.6
125.02461	2.1
125.06073	1.5
127.07642	9.9
131.05025	3.5
134.03754	10.4
135.04437	1.5
136.01675	2.1
137.06088	7.0
139.11285	6.6
149.06084	38.7
151.03957	2.2
155.07152	6.4
161.04527	2.2
165.09222	1.7
167.07141	27.0
173.04585	1.8
175.03917	1.4
179.10739	1.0
183.10258	30.3
191.05629	13.9
191.07198	1.8
192.05919	1.1
193.05052	100.0
194.05426	1.8
197.11827	10.6
207.10127	1.9
211.06071	3.8
225.11314	19.6
255.12320	2.0
285.13376	2.0
306.51828	0.9
355.10150	1.6
371.20523	2.5
449.14496	1.2
451.17413	0.9
453.16422	9.1
460.70084	0.9
479.24994	1.2
495.17685	5.7
503.25021	18.8
539.22974	33.2
539.34564	2.2
540.22852	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04262	1.8
52.68117	1.7
57.03446	3.1
59.01379	38.5
60.99299	3.7
61.98841	6.6
64.33086	1.5
69.57285	12.6
71.01383	20.2
73.02960	6.5
78.95907	4.4
83.37003	1.7
85.02949	12.9
87.00902	3.7
88.98805	27.3
89.02444	49.4
93.03500	6.4
95.85385	1.7
96.96064	4.2
96.96974	2.6
99.00877	10.8
101.02445	26.8
101.56204	1.8
111.00900	3.8
113.02475	3.2
119.03519	2.4
119.50835	1.7
125.02398	2.6
131.03444	9.6
133.02974	2.5
135.04555	5.3
143.03609	3.4
149.04555	70.5
161.02499	3.8
161.04599	6.4
173.04507	4.2
174.01019	1.9
175.03877	2.6
179.03580	3.1
191.02003	3.8
191.05597	35.3
201.01694	2.7
202.32607	1.9
203.71310	2.0
205.02385	1.8
221.06615	16.1
245.17303	1.7
251.07607	9.7
281.09149	2.2
293.08917	5.1
311.09845	13.4
375.07227	7.1
412.18463	2.0
477.31436	2.2
508.78918	2.2
537.21136	100.0
537.67963	4.3
538.21295	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	537.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59591	0.7
55.01889	0.6
57.03451	1.4
58.00610	1.1
59.01382	27.9
61.98841	1.7
64.97718	0.7
69.03436	0.8
70.34612	0.6
71.01385	25.8
71.56199	0.9
72.99294	1.2
73.02946	8.6
75.00858	0.8
81.03442	1.1
83.01398	1.8
85.02953	5.6
87.00876	2.6
89.02451	34.6
93.03448	2.4
95.01425	0.9
96.96020	3.9
97.02985	1.0
99.00888	13.9
99.04567	0.8
101.02450	17.7
111.04527	0.9
113.02466	6.9
115.04000	1.1
119.03513	4.0
119.05019	1.7
123.04530	2.8
125.02450	2.9
131.03505	5.3
133.02968	1.4
135.04547	1.7
143.03529	1.5
145.02977	2.6
149.04582	9.7
149.05905	1.1
150.03275	0.9
161.02483	3.6
161.04568	2.2
163.04002	2.5
165.05586	2.0
173.04619	1.1
173.14096	0.7
177.01933	1.5
179.03510	1.0
179.05634	0.8
181.05058	2.7
183.10255	11.3
191.05618	14.9
192.06041	1.6
293.08688	1.7
296.03015	0.7
297.11548	0.8
327.12256	3.4
345.15549	11.2
357.13211	0.9
375.14160	0.8
438.92334	0.8
477.19791	100.0
478.20068	3.8
501.20041	1.0
537.16748	5.4
537.25311	5.7
540.53357	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
58.00593	3.0
59.01379	70.5
60.99300	1.3
61.98830	2.0
63.96236	1.2
64.46562	1.1
67.01899	1.7
69.03458	5.4
71.01383	71.2
71.54741	1.5
72.99322	3.6
73.02953	11.9
75.00874	2.9
78.98589	2.5
81.03479	3.1
83.01393	6.2
85.02947	15.7
87.00883	5.5
88.98801	2.0
89.02445	100.0
93.03457	5.9
95.01422	3.7
96.96013	8.9
97.02938	8.0
99.00889	17.5
99.04527	2.4
101.02445	29.4
109.02927	1.9
111.00887	2.1
111.04565	1.4
113.02445	12.8
115.04002	6.4
119.03495	5.1
119.04980	1.7
120.99632	1.0
121.02980	2.1
125.02448	34.8
127.04003	2.4
131.03496	16.0
133.02994	1.7
134.99493	1.1
135.04530	2.6
143.03503	5.1
145.02968	1.2
149.04555	27.1
153.01942	20.8
161.02419	2.5
161.04593	7.0
161.05817	1.7
163.04060	1.4
168.04268	12.3
173.04611	5.0
177.73883	1.2
179.03438	2.0
179.05746	1.2
181.05124	1.5
183.06621	2.0
191.05606	41.4
192.05945	1.9
193.05011	2.4
233.06671	26.1
293.08786	79.5
294.09229	2.0
330.75726	1.1
345.09637	1.7
354.21176	1.3
355.10254	1.5
358.39285	1.1
405.21143	3.2
455.70410	1.2
477.20468	14.2
537.16974	8.8
537.25525	31.1
538.25610	1.4
557.13086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83760	0.3
59.01376	3.4
63.96790	0.3
65.00327	0.5
67.01889	0.6
71.01395	1.1
71.11854	0.5
71.12171	0.3
73.02960	0.5
75.00877	0.6
80.02697	0.4
80.96519	0.8
84.75523	0.3
85.02950	1.1
87.00879	0.8
89.02463	2.3
91.01318	0.4
91.01895	11.6
93.03459	24.6
95.01378	0.8
96.96013	2.1
107.05039	0.6
108.02177	14.3
109.02940	3.4
111.00891	7.6
113.02455	0.6
121.02976	0.8
123.00885	4.8
124.01643	0.4
135.00891	12.5
137.02444	56.6
138.02757	0.7
149.02423	0.3
152.01154	15.2
152.02400	0.7
153.01778	0.3
173.00902	0.4
173.04578	0.7
191.05603	4.7
192.05859	0.5
197.06076	1.2
199.07495	0.4
206.99863	0.4
213.05547	0.9
215.07071	1.1
225.05577	0.6
241.05026	0.4
243.06607	100.0
244.07021	2.5
249.06024	0.3
429.10339	0.8
447.27557	0.4
483.98102	0.4
501.27835	0.3
520.70959	0.3
537.15826	7.7
537.33655	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01102	0.5
59.01382	6.5
59.81426	0.3
61.98825	1.0
63.96234	0.3
65.00335	0.4
65.03954	2.7
67.01892	1.6
69.03461	0.5
71.01381	4.1
71.02824	0.3
72.99308	0.6
73.02946	0.6
75.00869	1.1
81.84239	0.3
83.01378	0.4
85.02959	2.6
87.00879	0.8
88.98810	0.7
89.02449	3.0
91.01895	20.0
93.03464	1.2
95.01421	0.3
96.96010	1.6
96.96561	0.3
97.02959	0.7
98.19846	0.5
99.00880	0.5
101.02444	2.1
108.02181	1.0
109.02951	25.4
110.03284	0.4
111.00874	1.6
113.02471	1.2
115.67178	0.3
119.03479	0.3
121.02962	1.3
124.01677	0.4
125.02396	1.4
126.96940	0.3
131.03487	0.5
133.03017	0.6
135.00885	72.9
135.98369	0.9
136.01234	0.9
137.02452	1.2
145.02985	0.3
149.02429	0.9
149.04562	0.9
149.99551	0.6
153.01936	100.0
154.02252	1.5
161.02425	1.3
161.04558	0.7
167.03410	0.3
168.00568	0.9
173.04572	1.0
175.02512	0.3
175.03999	0.9
177.01886	0.4
177.05573	0.3
191.05617	5.9
191.07227	0.3
192.05919	0.4
193.05103	0.3
195.02884	0.3
205.05090	0.3
233.06673	0.4
243.06642	4.7
261.44501	0.3
293.08682	1.4
297.06110	1.6
330.85464	0.3
429.10406	5.1
451.16580	0.3
477.30798	0.5
493.17462	0.6
537.12982	0.9
537.23718	2.1
537.32910	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15924	0.4
57.03470	0.8
59.01380	14.9
59.91053	0.4
61.98868	0.8
63.96276	0.5
65.03962	3.2
67.01923	1.9
69.24826	4.8
71.01380	4.9
72.99314	0.8
73.02979	0.9
75.00898	0.9
79.95735	4.8
80.96525	1.0
85.02979	1.9
87.00912	1.5
89.02445	3.0
91.01893	19.7
93.03480	1.4
95.95255	1.0
96.96014	40.4
97.02998	0.6
101.02461	1.5
101.64731	0.5
103.00367	3.2
109.02956	23.4
111.00875	11.0
113.02460	1.7
121.03006	0.9
125.02488	1.5
131.03481	0.8
134.03752	1.1
135.00890	72.1
135.98392	1.5
136.01224	0.7
137.02451	0.8
149.02409	0.9
149.04567	1.1
149.06024	0.5
153.01939	100.0
154.02290	1.7
160.01654	0.7
161.02499	1.1
164.98622	1.1
168.00656	0.7
173.00908	1.3
173.04555	0.8
175.03989	1.5
177.01913	0.7
180.98112	0.8
181.86383	0.5
191.05618	6.6
192.14960	0.5
193.05035	2.3
241.00259	1.3
243.06631	3.7
256.99591	1.2
293.08707	1.7
297.06015	1.4
309.56265	0.4
351.00818	0.5
351.05026	0.5
396.35571	0.5
415.27411	0.5
426.18478	0.6
429.10400	4.2
433.15213	0.8
451.16443	37.3
452.16449	1.7
454.39941	0.5
483.99942	0.5
493.17462	17.2
494.17493	1.1
501.22842	2.0
519.14850	0.6
524.06073	0.5
537.15930	20.8
537.31757	2.8
538.16309	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	536.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19984	0.1
59.01383	0.4
59.73568	0.1
61.98833	100.0
69.47206	0.9
74.51286	0.1
78.95924	0.2
80.96514	0.2
85.02944	0.2
87.00897	0.5
92.29731	0.1
93.03462	0.3
96.96047	0.3
110.96104	0.2
111.00886	0.2
122.97504	0.1
135.04561	0.2
191.05634	0.4
292.18301	0.2
311.22119	0.2
474.33652	0.2
501.31573	0.2
527.19342	0.2
536.33221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89893	0.2
54.18222	0.2
59.01361	0.2
61.98833	100.0
79.95727	0.2
85.02956	0.2
86.69276	0.2
87.00898	0.6
89.82352	0.2
93.05042	0.2
166.85779	0.2
173.04575	0.2
229.46800	0.2
404.82953	0.2
429.57684	0.2
511.24515	0.2
536.33453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01103	1.4
59.01383	18.1
59.01676	1.2
61.98822	3.0
62.09183	0.8
65.03960	3.3
67.01887	3.1
68.99821	16.5
69.21902	3.8
69.22337	4.7
71.01385	13.6
72.99306	4.5
73.02952	3.8
81.03445	1.8
83.01376	2.2
85.02961	7.1
87.00883	2.6
89.02443	8.9
91.01909	2.7
91.05543	3.4
93.03462	95.4
94.03806	1.4
95.01382	2.2
96.96006	3.6
97.02946	0.9
98.20648	2.2
99.00892	2.2
101.02458	9.8
103.04053	1.0
105.03445	1.0
107.01404	2.0
107.05033	29.5
108.02198	4.4
109.02974	7.1
111.00899	4.6
111.04504	2.0
113.02453	5.4
117.03484	2.3
119.03568	1.7
119.05029	25.2
121.02940	3.3
123.00858	2.4
123.01687	1.0
123.04534	15.0
124.01708	1.7
125.02435	2.1
125.06102	1.0
131.03494	1.5
133.02956	2.0
134.03723	1.4
135.00905	1.6
135.04533	23.8
136.04919	1.0
137.02458	50.5
137.06102	9.8
145.02927	3.7
147.04486	0.9
149.04639	1.7
149.06017	1.6
150.03259	1.1
151.00369	6.5
151.03992	3.7
152.01180	10.3
153.01978	8.0
161.02470	8.0
161.04527	2.9
161.05907	1.1
163.04019	39.5
164.04317	1.2
165.05553	1.2
166.02725	11.0
167.03503	47.4
168.03886	1.0
173.04593	2.7
177.05556	1.6
179.03542	3.4
181.05067	25.7
183.10277	1.5
191.05634	14.0
192.06013	1.6
194.02217	6.5
195.03000	3.0
205.05054	2.8
207.02994	100.0
208.03264	2.8
209.04555	47.6
211.06212	0.9
223.06068	1.0
239.05643	5.8
255.05023	1.7
269.06662	28.6
279.15637	1.0
311.07730	8.7
329.08670	2.7
343.10294	5.5
391.63895	0.9
433.24210	2.9
449.14587	2.5
454.51834	0.9
461.10797	6.8
487.12247	0.9
493.13556	37.9
494.13882	1.4
537.13104	5.4
537.25360	6.0
537.32990	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	534.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45502	0.2
52.51175	0.2
53.73597	0.2
59.01375	0.8
67.01887	0.7
68.99808	0.6
71.01385	0.6
71.53842	0.2
85.02975	0.5
86.03297	0.2
89.02471	1.0
101.02435	2.5
109.02950	0.4
113.02487	0.3
118.00575	0.2
119.03506	0.4
121.02959	0.3
127.04025	4.3
130.08748	100.0
131.09123	0.9
133.02974	0.3
144.91716	0.2
149.65891	0.3
161.02454	0.9
177.05620	0.2
179.05708	0.3
181.05048	0.2
191.03668	0.5
191.05597	2.8
192.05997	1.4
193.05028	0.6
205.05017	0.3
223.06099	0.7
241.07173	8.6
403.12488	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	534.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16504	0.2
56.75278	0.2
59.01373	0.8
61.98832	100.0
71.01400	0.2
71.55795	0.3
78.95930	0.3
87.00898	0.4
93.03488	0.2
96.96056	0.3
111.00905	0.6
115.71035	0.2
132.74573	0.2
191.05661	0.2
197.00461	0.2
211.52161	0.2
276.42465	0.2
306.69064	0.2
534.31250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.42892	0.3
61.98829	100.0
63.65945	0.3
66.73441	0.3
71.02712	0.8
78.95918	1.2
79.35345	0.3
110.32925	0.3
110.98553	0.4
185.02124	0.5
190.06241	0.3
199.13460	1.0
200.13745	0.8
202.08879	0.3
279.23358	0.7
365.27011	1.4
366.27310	7.3
534.28998	2.0
548.36853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56438	0.3
59.01379	0.6
61.02926	0.3
61.98828	100.0
69.20811	1.1
69.21251	1.4
74.41601	0.2
78.95897	1.1
80.22731	0.3
97.08211	0.3
98.77683	0.3
110.98546	0.8
127.29891	0.3
148.99210	0.3
167.01154	0.4
185.02200	0.5
199.13431	1.1
200.13766	1.1
268.35883	0.3
279.19702	0.5
279.23132	0.3
280.19998	1.1
326.36411	0.3
348.26169	0.8
365.26910	2.6
366.27264	14.2
534.28961	4.2
544.67139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81187	0.6
52.00074	0.5
55.60471	0.5
59.01376	1.3
70.11491	2.4
85.02958	4.9
87.00871	1.4
93.03452	2.5
111.04456	0.7
126.26006	0.6
127.03981	1.3
133.02937	0.7
135.04510	1.7
136.27197	0.6
161.02414	1.7
171.02965	0.8
173.04504	1.4
179.03430	0.6
191.05606	100.0
192.05936	1.8
199.01620	0.6
261.10855	0.6
261.68954	0.6
353.08746	14.9
357.89926	0.6
422.59732	0.6
550.46564	0.6
560.34595	0.6
560.44281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1665
Annotation	Desacetylhookerioside
Peak:m/z	Relative Intensity
55.01882	0.9
57.03444	3.4
57.99170	0.7
58.00584	2.7
59.01381	55.7
61.98820	2.5
62.98558	0.7
65.00333	0.9
67.01894	17.2
68.99818	39.9
69.03446	2.1
71.01382	48.4
71.56227	1.2
72.01720	0.9
72.99308	3.4
73.02946	3.4
75.00863	2.8
81.03458	3.0
83.01373	3.5
83.05023	1.7
84.02167	0.9
85.02953	23.8
87.00869	4.1
89.02447	56.9
90.02778	1.2
93.03481	3.5
95.01370	8.1
95.05051	1.0
96.96009	4.5
97.02941	2.0
99.00886	4.1
99.04536	4.0
99.77403	0.7
101.02446	100.0
102.02755	0.7
105.03473	1.3
107.01405	1.4
107.05042	2.5
108.02188	0.7
109.02954	11.5
111.00883	2.1
111.04562	0.8
112.01678	1.2
113.02455	48.2
117.03483	2.4
119.01364	1.4
119.03521	11.3
119.05020	6.6
121.02965	35.2
121.06593	2.5
123.03764	0.7
123.04543	5.7
124.01641	1.1
125.02458	2.4
127.04012	62.1
131.03519	7.8
131.05016	0.9
133.02939	4.6
134.03723	0.7
134.59624	0.8
135.04535	6.7
137.02419	2.0
137.06079	1.3
139.00421	0.9
139.03992	2.9
143.03503	15.5
145.02957	8.4
147.04532	7.8
149.02504	4.1
149.04558	12.1
149.06068	5.9
151.00351	4.0
151.03955	1.9
152.01228	1.0
153.05576	0.8
161.02499	9.8
161.04564	14.8
162.03302	1.0
163.03998	5.0
165.01918	0.9
165.05583	6.7
167.03522	2.4
167.07129	4.5
173.02571	0.9
173.04550	1.0
177.05568	11.4
178.99895	1.4
179.03520	3.1
179.05643	4.7
179.06947	1.0
179.10857	1.1
181.05061	2.6
185.08234	2.6
187.03979	1.0
191.03523	10.4
191.05629	5.9
193.05040	6.9
195.05022	0.7
195.06609	3.7
197.04582	1.0
205.05054	25.8
207.05070	1.0
209.04575	1.2
211.06194	1.5
213.31079	0.7
221.06717	0.9
223.06128	19.8
229.07158	1.1
241.07156	39.2
242.07533	0.9
269.00745	1.2
271.08316	1.9
285.11270	2.1
293.08694	0.9
300.02847	1.9
323.07721	0.9
327.10934	1.1
341.08850	2.3
354.09726	1.1
355.10379	8.1
373.11386	57.6
374.11731	2.3
381.05438	3.2
381.55429	1.0
391.12442	13.7
444.52036	0.7
454.08234	8.0
454.58505	2.9
475.14661	0.8
493.17102	0.9
499.23773	1.5
503.14035	12.5
508.89270	0.8
517.15466	1.9
517.23035	1.4
524.30408	0.8
535.16730	47.5
535.22980	2.4
535.61957	0.8
536.16956	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33745	0.3
55.49794	0.3
59.01381	3.1
61.98835	0.7
63.02391	0.7
63.30813	0.4
65.00336	0.7
65.57110	0.3
69.03456	2.2
72.25053	0.3
82.24263	0.3
83.01375	1.3
85.02445	0.8
85.02952	13.1
87.00842	0.5
89.02441	0.5
91.46579	0.3
93.03467	1.9
96.96019	2.1
98.95580	0.9
99.04500	1.4
101.02422	1.0
107.01376	1.7
107.05016	0.5
109.02952	0.4
111.00883	0.5
117.03442	0.4
132.02190	1.3
135.00877	1.4
137.02454	0.4
143.05025	0.7
145.02942	1.5
151.00395	1.6
157.06607	1.0
159.04532	0.9
163.00374	2.3
164.01077	0.5
165.01939	0.8
167.05011	0.6
169.06660	0.8
171.04576	0.9
173.04524	0.5
175.38327	0.3
179.03479	0.4
183.04404	0.7
185.06073	1.5
187.04016	2.5
189.05508	0.7
190.99825	0.4
191.05635	4.1
192.06088	0.4
195.04546	0.7
197.06090	0.9
199.04059	0.7
209.11873	2.0
211.04004	2.2
212.04716	0.5
213.05565	1.5
215.03577	0.7
227.03487	26.8
228.03920	1.1
229.05034	10.0
239.03462	1.8
240.04173	1.0
241.04996	1.3
255.02972	58.0
256.03561	4.5
257.04547	5.2
267.02966	1.0
283.02301	0.8
284.03250	76.8
285.04022	89.5
286.04413	3.4
294.09082	0.4
321.22162	0.6
323.23865	0.5
327.05237	0.5
335.23773	0.7
339.23346	0.4
351.23285	2.0
353.10254	0.9
353.24802	1.4
359.23810	0.4
369.24228	0.4
371.26004	1.9
387.27005	1.0
389.24573	0.4
401.26984	7.4
403.26538	1.8
405.27444	1.9
415.28354	0.8
419.27985	1.0
423.25018	0.5
435.28931	0.9
441.30106	4.8
442.30716	0.4
451.28540	1.0
453.30072	40.2
454.30313	2.3
471.31131	64.3
472.31439	4.5
485.29016	1.3
489.10370	53.4
490.10693	4.6
533.31165	100.0
534.31512	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	531.273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32330	2.2
50.80002	1.8
55.01873	7.5
57.03443	2.2
59.01386	20.2
61.98838	4.7
68.99599	5.4
69.89741	1.9
71.55818	3.5
73.02949	7.3
75.00819	1.8
76.76552	1.9
85.02975	2.2
85.48202	1.8
87.00893	2.8
87.04535	4.0
93.92146	1.8
112.98600	4.1
131.96170	1.7
143.45438	1.9
144.62370	2.4
200.13335	2.2
275.33057	2.2
320.16705	2.0
381.28119	3.0
425.26855	2.3
443.28000	43.0
455.31842	5.7
471.31073	3.3
487.34387	38.1
488.34805	3.4
499.30753	15.3
513.32263	3.9
531.33398	100.0
532.33423	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	531.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.6
59.01381	11.4
61.13199	2.1
61.98807	2.3
64.60626	2.6
67.82141	2.1
69.03455	3.0
71.01379	2.6
73.02956	3.8
74.38367	2.9
80.53831	2.4
81.03441	3.5
83.01402	5.7
83.05029	3.9
84.15128	2.8
85.03000	3.0
85.67699	2.4
87.00872	31.8
93.03461	4.2
96.96007	17.4
97.06585	3.5
100.62224	2.2
111.00876	24.3
111.76170	2.5
123.04591	2.8
123.08150	2.8
125.09717	9.0
133.01604	2.3
137.09651	4.0
163.11313	4.8
167.12149	2.3
167.78319	2.3
173.00827	2.9
185.11807	8.5
191.05751	3.9
191.10658	2.7
191.14436	4.8
207.10191	4.6
209.11829	41.2
213.54926	2.3
225.11253	5.9
240.97968	2.3
245.19203	12.4
254.22565	2.5
254.77000	2.5
271.17053	2.8
289.18085	46.2
307.19138	100.0
415.28308	3.3
457.25803	4.6
459.27756	2.8
469.29956	4.4
487.30682	8.5
503.33807	3.1
531.28906	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	531.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	59.4
60.99302	12.6
61.98822	4.2
70.74563	2.0
70.74883	1.4
78.95924	1.4
87.00903	2.1
88.00380	3.4
88.98805	100.0
89.02444	48.0
89.03005	1.6
93.30276	1.2
96.95999	1.8
97.63065	1.1
98.95570	2.0
101.24515	1.2
106.62479	1.1
113.23151	1.1
171.40427	1.2
196.89420	3.6
231.63307	1.3
277.21735	2.5
285.75052	1.2
343.60086	1.3
410.69992	1.5
471.34927	8.2
512.43793	1.3
530.76044	1.5
531.28833	7.1
531.36829	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3172
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
57.03440	2.0
59.01376	10.5
59.31260	0.7
61.98828	2.4
70.70277	2.3
71.01381	13.8
72.99306	3.6
73.02974	1.4
75.00870	12.7
85.02950	18.0
87.00862	6.1
89.01954	0.9
89.02425	6.1
95.01371	3.6
99.00885	9.5
102.25170	0.7
103.00352	2.2
113.02454	23.0
115.00344	2.4
117.01941	1.5
129.01945	1.2
131.03465	0.8
136.60596	0.8
175.02475	3.6
191.05588	1.8
205.07115	1.7
249.06134	3.2
267.07181	4.9
279.23251	2.2
281.24841	56.6
282.25272	1.6
283.13391	1.0
359.17307	0.8
384.05020	1.0
471.35007	4.7
513.30695	1.8
531.31683	100.0
532.32196	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	531.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61175	0.5
59.01378	100.0
61.98825	0.8
75.19334	0.5
98.19835	1.0
106.62242	0.6
127.14381	0.5
158.17050	0.6
160.28665	0.5
166.66150	0.5
294.47888	0.6
297.30014	0.5
357.01227	0.5
380.40442	0.5
453.33829	1.3
471.34924	3.9
531.30298	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	533.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63976	1.2
59.01368	6.1
61.98825	2.5
69.18286	6.6
69.18706	8.7
70.16741	1.5
82.71155	1.5
89.02454	1.9
90.45296	1.4
93.03454	3.8
96.96003	5.6
98.95612	2.8
101.02407	1.9
106.94534	1.6
113.02480	1.6
125.24585	1.6
132.02177	2.0
145.02985	1.6
151.00398	2.9
163.00287	2.1
167.44324	1.7
185.05984	2.5
187.03979	2.6
191.05562	6.3
227.03494	29.3
229.05084	7.1
239.03444	1.7
255.02969	62.0
256.03561	5.1
257.04526	4.0
284.03259	100.0
285.04028	87.9
286.04263	2.4
429.08289	3.0
471.31137	1.9
489.10388	68.8
490.10571	3.4
533.30585	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	533.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02371	0.4
69.38000	3.3
85.02944	2.6
90.53981	0.4
93.03457	1.4
107.01385	2.8
132.02148	1.4
135.00853	2.3
141.28120	0.5
151.00378	2.0
157.06583	1.0
159.04510	0.8
163.00371	2.8
169.06543	0.9
171.04477	0.7
183.04414	0.6
185.06087	2.9
187.03990	2.4
189.05556	0.9
191.05649	0.8
194.60190	0.5
195.04457	0.5
197.05983	1.1
199.03983	1.2
201.05449	0.5
211.03934	3.1
213.05589	1.5
227.03488	27.9
228.04047	0.5
229.05037	9.1
239.03416	1.7
241.05011	1.6
255.02982	59.5
256.03659	4.2
257.04544	5.9
267.02893	0.8
283.02441	1.1
284.03253	78.1
285.04022	100.0
286.04346	3.5
327.05084	0.5
397.12457	0.5
401.26794	1.4
405.26953	0.5
441.29865	0.7
447.09097	0.5
453.30032	8.1
471.31091	13.3
489.10361	58.4
490.10675	3.8
533.31189	19.2
534.31372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43658	0.2
53.97956	0.2
54.89023	0.2
59.01374	1.1
66.75774	0.2
67.01888	0.3
67.21483	0.2
69.41843	1.8
71.01376	0.6
72.95496	0.2
85.02953	8.1
87.00880	1.7
93.03450	2.6
101.02431	0.3
109.02978	0.8
111.04525	1.0
115.06158	0.3
127.04006	1.9
133.02914	0.2
161.40091	0.2
171.02965	0.6
173.04547	1.5
185.74519	0.2
191.05609	100.0
191.51851	0.2
192.06004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.2
57.39489	0.2
59.01371	0.9
59.77302	0.2
67.01875	0.2
69.03419	0.2
70.81190	0.4
71.01370	0.8
73.02924	0.3
74.34132	0.2
81.03427	0.3
83.05068	0.2
85.02947	8.4
87.00874	1.8
93.03453	2.9
99.04568	0.2
101.02406	0.2
102.33726	0.2
109.02953	0.6
111.04511	1.2
127.04003	1.7
129.01938	0.5
155.03519	0.2
161.86293	0.2
171.02986	0.6
173.04547	1.0
185.64212	0.2
191.05600	100.0
192.05984	1.2
209.06213	0.2
218.61502	0.2
234.14964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98529	1.2
54.19795	1.1
55.01868	4.2
57.03425	2.6
58.00584	1.7
59.01114	1.9
59.01381	31.4
62.08797	1.2
69.03457	35.4
70.03798	4.8
70.35781	1.2
71.01012	2.4
71.01380	36.7
72.99289	3.1
73.02942	11.7
75.00879	1.3
79.01869	10.4
80.78177	1.4
82.95367	1.6
83.01382	8.7
85.02947	15.3
86.00092	2.8
87.00860	4.9
89.01934	1.9
89.02443	24.0
93.03448	2.7
93.78939	1.3
94.30050	1.2
95.01378	7.2
96.95988	3.0
97.02945	54.6
97.64050	1.2
98.84115	1.2
99.00357	1.3
99.00875	15.7
101.02440	26.8
103.86694	1.3
111.00874	3.1
111.04418	1.5
113.02450	8.5
115.04001	1.5
119.03454	2.0
119.05099	1.2
123.00856	3.1
125.02417	4.8
131.03488	3.0
135.04462	2.3
141.00891	2.9
141.01941	44.5
149.04520	9.5
161.02463	1.9
161.04500	3.2
173.04398	3.1
179.10754	2.1
180.89806	1.3
184.99271	2.3
185.00909	45.6
185.11761	1.6
191.05582	11.8
193.04886	1.5
203.01880	2.0
221.11688	2.3
233.06543	2.7
237.38365	1.2
246.59930	1.3
265.89008	1.6
293.08765	9.1
347.17081	47.3
351.13995	1.4
407.33264	1.6
461.19458	1.5
533.18530	100.0
534.19232	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01376	4.2
60.65981	0.3
63.34803	0.2
67.01898	0.7
68.99812	0.6
69.32124	2.0
71.01389	0.7
83.05030	3.6
85.02953	2.1
85.06593	18.7
86.06940	0.3
89.02444	1.1
96.95989	0.7
98.19856	0.5
101.02452	2.5
109.02985	0.4
110.28586	0.3
111.03809	0.5
111.04527	6.6
119.03534	0.3
121.02969	0.3
125.80644	0.2
127.04022	5.3
128.03540	0.4
128.04369	0.7
128.90146	1.4
129.01956	6.5
129.05586	100.0
130.05931	0.8
161.02440	0.4
177.05626	0.3
191.03571	0.7
193.05077	0.4
203.71072	0.3
223.06131	0.6
241.07178	6.7
403.12540	1.8
478.52975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.0
57.03441	0.4
59.01381	3.6
67.01883	0.9
69.03457	98.4
69.32400	2.1
69.32812	0.7
70.03792	0.5
71.01382	2.9
72.99326	2.0
73.02961	0.6
79.01882	5.1
82.95425	1.0
83.01390	0.4
85.02953	2.7
87.00891	0.7
89.02419	0.8
93.03478	0.8
95.01395	3.2
96.96029	1.1
97.02953	18.3
99.00880	25.9
101.02448	2.4
103.00391	1.9
103.04034	0.4
105.39304	0.3
111.00883	1.9
112.30600	0.3
113.02444	1.2
120.99690	0.4
123.00896	1.8
135.04527	0.9
137.02461	0.4
141.01941	9.8
145.02957	1.5
161.02455	0.8
161.04564	0.5
161.06049	0.4
163.04001	0.6
173.04520	1.2
174.19522	0.4
178.76427	0.3
185.00909	100.0
186.01241	2.0
191.05650	2.3
347.17090	5.7
353.09372	0.4
446.64639	0.4
533.18726	21.1
534.19055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71556	0.3
58.00605	0.3
59.01099	0.6
59.01381	6.6
67.01859	0.4
70.41611	0.3
71.01381	5.3
71.10527	0.7
71.19107	0.4
72.99342	0.3
73.02936	0.8
78.95898	0.9
79.08262	0.3
79.96832	0.3
83.00681	0.3
83.01398	0.5
83.05034	0.7
85.02973	1.9
85.53457	0.3
87.00881	1.5
89.02450	4.6
93.03470	2.5
95.01377	0.4
95.05020	0.4
97.06644	0.5
99.00878	0.5
101.02441	5.7
109.06586	0.8
110.98547	0.7
111.00895	0.4
113.02469	2.9
113.06091	0.4
113.09684	0.4
117.53312	0.4
119.03490	1.2
121.20056	0.4
131.03493	0.5
133.02924	0.5
135.04526	0.8
143.03549	0.6
160.01640	0.7
161.02478	0.5
161.04594	2.9
169.12331	0.4
171.10252	3.9
173.04541	1.0
179.05608	1.0
179.14410	0.7
181.08203	0.3
181.12112	0.3
191.05627	6.2
195.13907	8.5
196.14522	0.6
199.09756	0.9
205.12459	0.5
207.10219	0.8
209.11896	1.9
211.13437	0.9
223.13377	5.6
225.11424	0.8
227.12881	0.4
228.13651	0.9
253.09288	30.0
254.09650	0.6
256.13062	1.0
275.20163	5.4
293.21234	100.0
294.21561	3.0
308.09143	0.4
326.68927	0.4
339.11954	0.6
351.06958	0.4
411.14337	0.5
417.29996	1.2
419.30634	0.4
465.68982	0.4
492.22006	0.5
512.43610	0.4
529.20667	0.6
529.31409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03451	2.3
58.11793	1.0
59.01380	13.8
61.98807	2.1
63.73943	1.0
70.81300	1.0
71.01379	12.9
71.54091	1.8
72.99310	6.4
73.02917	1.2
75.00867	16.8
83.71982	0.9
85.02946	16.8
87.00875	5.6
89.02435	2.5
95.01399	4.9
99.00881	10.6
103.00358	2.5
113.02443	17.9
115.00346	2.2
117.01950	2.8
129.01910	1.3
175.02469	3.5
180.60284	0.9
205.07230	1.5
231.05116	1.8
249.06166	15.0
267.07248	2.1
277.21786	1.2
279.23273	75.9
280.23654	2.1
511.29083	4.2
529.30157	100.0
530.30420	7.1
543.25977	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24121	0.4
59.01379	100.0
59.46054	0.3
63.95381	0.4
69.03458	4.6
69.47861	1.7
69.48285	1.0
72.74553	0.4
83.05038	1.5
109.06619	0.4
123.08128	0.4
154.46733	0.4
171.10216	1.9
196.03763	0.4
199.09831	0.6
201.12782	0.4
209.11920	0.9
293.21265	2.0
327.16519	0.4
351.23203	1.9
391.26651	1.6
393.28204	0.4
403.26553	1.1
405.24774	0.5
409.27545	2.7
419.26251	1.0
421.27451	36.7
422.27747	2.1
439.28510	47.9
440.28857	2.4
447.31177	0.9
465.26685	1.6
529.32007	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3536
Annotation	Rubianol b
Peak:m/z	Relative Intensity
53.56772	0.6
57.03447	0.9
58.39889	0.5
59.01107	0.9
59.01384	15.6
61.13013	0.5
61.98819	2.6
70.02380	0.5
70.69510	1.4
71.01371	1.6
72.99326	0.6
75.00862	1.3
78.95919	1.2
85.02958	2.2
87.00888	0.9
96.96052	0.6
99.00877	0.9
110.98518	0.6
113.02487	3.3
167.84589	0.6
191.05688	0.7
193.50688	0.6
195.20689	0.6
203.74271	0.6
249.06200	1.0
255.23364	1.5
277.21698	3.7
278.22021	0.9
279.23267	7.0
409.30856	1.1
445.23044	1.1
447.24295	1.1
469.33188	2.9
471.34912	10.0
472.35446	0.8
511.27362	1.2
511.34378	12.1
529.35980	100.0
530.22357	0.9
530.36316	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	529.3533
Annotation	Rubianol b
Peak:m/z	Relative Intensity
52.15018	0.4
59.01379	49.6
68.29033	0.4
70.92320	0.8
139.54520	0.4
148.77625	0.4
164.62964	0.4
314.24313	0.4
457.33850	0.6
469.33896	1.9
487.34222	3.2
491.36316	0.7
499.34305	1.2
511.34396	1.4
529.35345	100.0
530.35663	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	530.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
59.59161	0.3
61.98831	2.1
70.51194	0.3
70.86419	0.8
71.01369	0.4
78.95905	16.4
82.41943	0.3
85.02985	0.5
96.96066	0.3
106.15372	0.3
113.02439	0.6
152.99593	2.1
168.04333	3.2
191.05576	0.6
224.06909	7.2
229.19537	0.3
238.41411	0.3
242.07979	1.9
255.23285	100.0
256.23618	2.9
277.21841	1.9
280.23642	1.0
432.29028	0.4
472.35367	1.6
480.30933	66.4
481.31311	3.3
512.34235	0.4
529.76184	0.4
530.29718	1.8
530.36951	5.5
531.30078	0.6
544.28632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.6
57.03445	2.7
59.01140	1.1
59.01374	11.1
60.22390	1.0
61.98822	1.5
62.39357	1.0
63.76864	1.1
67.01612	1.1
67.01898	12.4
68.99825	16.2
70.29733	4.2
71.01395	12.8
72.99303	1.1
73.02955	7.2
81.03453	3.9
83.01395	69.6
83.05006	1.9
85.02954	3.2
87.00871	1.7
87.04515	2.3
89.02446	5.6
92.51002	1.0
93.03454	2.8
95.05051	1.3
96.95992	2.2
97.02959	3.2
99.00880	20.0
99.04515	4.8
101.02448	88.6
105.03445	2.3
107.05047	2.2
109.02940	9.0
111.04533	2.4
113.02445	4.6
113.39130	1.1
117.03475	2.3
119.03504	2.9
119.05076	2.4
121.02951	9.8
123.04503	2.9
125.02462	8.0
127.00387	43.1
127.04014	42.4
133.02930	4.7
133.06531	1.6
135.04503	3.7
139.04066	1.5
141.01936	3.1
143.03430	1.6
145.01424	10.1
145.02934	3.5
147.04512	3.5
161.02487	10.3
161.04599	1.7
163.03996	2.4
165.05525	3.3
173.02521	1.2
173.04619	1.1
177.05550	3.4
190.12883	1.0
191.03525	9.8
193.05045	5.6
205.05055	2.3
209.04538	4.1
213.94278	1.1
223.06114	2.2
241.07199	8.6
249.07675	2.5
263.05737	1.0
264.51050	1.0
265.07184	2.8
267.07785	1.2
275.05615	4.3
289.05487	5.0
293.06674	3.4
307.06717	2.3
330.32285	1.4
335.07565	2.2
346.53058	1.3
371.09689	1.3
427.12418	8.7
455.12048	14.9
499.10983	31.3
500.11404	1.7
531.13525	100.0
532.13782	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	531.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	50.5
57.65976	0.6
59.01383	18.7
68.99821	33.5
69.03468	4.0
69.46445	1.2
69.46851	4.3
71.01387	3.3
73.02943	1.3
79.95734	0.8
81.03442	1.6
85.02953	2.0
87.00874	1.0
89.02448	1.8
93.03460	2.4
96.96017	26.8
97.02979	0.9
99.00881	1.5
99.04523	52.0
101.02448	100.0
102.02758	1.1
105.03445	4.2
107.43224	0.6
108.02154	1.0
111.00871	1.0
111.04530	2.1
113.02460	2.0
119.05024	1.2
123.04530	65.3
124.04881	0.9
125.02453	25.8
125.09725	0.9
127.04003	0.9
133.02983	2.1
135.04576	0.9
143.03522	3.7
147.04518	9.9
161.02434	5.1
161.04611	1.6
173.04613	1.8
175.03934	0.9
180.98230	1.3
185.00906	3.3
191.05641	7.5
207.06613	10.7
225.07687	57.4
226.07994	1.2
229.01485	1.1
241.00285	3.5
248.06401	0.7
251.12898	0.7
295.06326	0.8
315.07413	1.0
339.05295	2.6
369.12115	2.2
387.12985	1.6
387.17322	0.9
415.16614	0.8
429.14340	1.8
495.24454	0.7
531.21545	26.5
532.21899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03437	1.7
58.00591	3.6
59.01381	100.0
61.98828	3.2
69.03465	5.4
70.37452	2.1
71.01385	47.9
72.99314	5.3
73.02951	19.8
74.57712	0.9
79.01900	1.0
81.03465	4.1
81.41159	0.7
83.01393	5.6
83.05021	0.9
85.02953	19.8
87.00885	3.9
89.02451	30.9
93.03459	2.3
94.03724	0.7
95.01400	2.5
96.96017	2.0
97.02955	7.7
99.00878	2.9
99.04497	2.5
101.02448	38.2
103.04017	34.8
108.02200	0.8
113.02454	3.4
115.04011	1.4
115.46174	0.8
119.03512	15.6
119.05014	0.8
125.02452	36.7
127.04011	3.3
131.03511	1.6
133.02946	1.8
135.04494	1.5
137.02460	1.3
143.03487	3.6
145.05064	7.1
148.05310	39.4
149.05560	0.8
161.02463	6.3
161.04585	2.2
162.51501	0.7
163.06113	38.9
163.07629	15.9
173.04593	2.4
179.23137	0.8
191.05597	9.1
205.07127	2.1
221.06674	1.0
229.01250	1.0
235.95479	0.8
247.08214	9.9
265.07056	0.8
289.09396	1.7
307.10355	32.5
468.15076	0.8
530.68970	1.2
531.20245	5.0
531.27039	1.4
531.70032	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.5
59.01383	16.8
61.98823	9.8
66.50873	1.0
66.80794	0.9
69.03449	3.5
69.18051	4.5
69.18485	6.7
71.01385	7.0
72.99306	1.2
73.02928	1.8
75.00874	1.2
76.79635	1.1
78.95914	1.2
79.95730	3.1
81.66379	1.1
83.01353	1.0
85.02945	11.2
87.00871	3.8
89.02441	5.1
93.03463	6.5
96.96014	100.0
99.00877	1.8
99.04516	3.2
101.02424	5.5
109.02952	2.2
111.00881	2.5
111.04530	2.3
113.02421	2.8
117.03468	2.3
119.03425	1.9
119.05013	2.5
121.02933	1.1
125.02437	1.0
133.02968	5.3
133.05103	6.6
134.33162	1.1
135.04514	3.9
137.02467	1.8
143.03447	1.7
145.02939	8.4
151.03975	1.2
155.03494	1.6
161.02441	13.4
161.04549	3.5
162.02805	1.3
163.04012	2.6
167.33264	0.9
169.59302	1.0
173.04544	8.5
179.03438	2.0
179.05612	1.7
185.00882	2.2
191.05612	80.2
192.05930	3.4
193.05014	1.7
202.85942	1.1
205.05095	1.9
209.11801	12.0
227.12883	2.2
248.06084	2.3
253.09184	3.4
264.04184	1.3
265.07126	3.6
266.05493	1.2
279.06747	1.3
292.03821	1.5
307.06134	3.8
311.09198	2.5
339.04962	2.1
339.08682	4.0
445.20749	2.1
463.21701	1.8
468.15588	1.4
499.12650	1.6
531.14429	1.4
531.21857	11.3
531.30939	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	527.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82813	1.3
54.73464	1.4
57.03440	1.4
59.01383	100.0
66.39869	1.1
67.01882	2.3
69.18862	6.3
69.19296	7.3
70.83895	1.4
71.01363	5.5
73.02938	3.5
73.18122	1.4
77.36314	1.2
78.95894	2.5
80.96507	3.6
82.75275	1.3
83.05055	2.0
85.02941	2.9
87.00880	4.5
93.03464	12.7
96.96023	2.5
97.06560	1.4
98.19855	2.3
101.02494	2.4
106.03049	1.3
110.98515	1.8
111.08167	2.0
118.26772	1.3
121.10236	2.4
123.03988	1.2
125.09681	2.1
126.21439	1.4
163.11140	1.9
171.10286	7.6
173.04628	10.5
185.11862	2.5
191.05615	29.9
195.13921	2.2
197.11870	2.7
209.11804	6.0
211.07663	2.2
212.08394	3.8
213.09232	7.7
225.11272	1.7
239.54973	1.3
253.09195	9.1
273.18448	2.1
291.19669	62.8
292.20105	1.6
339.12091	2.0
375.23270	1.8
386.13837	1.7
389.24933	3.2
407.25876	2.4
419.20190	2.6
419.25912	55.2
420.26279	2.4
429.11719	1.5
430.12631	5.7
437.26929	48.0
438.27188	1.7
446.50287	1.4
483.30853	2.6
489.31995	22.3
491.32993	5.7
511.80615	1.6
527.18567	8.2
527.28741	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	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.2
57.03439	0.5
57.35971	0.2
59.01376	6.9
69.03478	0.4
71.01385	4.8
71.56111	0.3
72.99306	0.3
73.02940	0.8
76.23299	0.2
78.95890	0.3
83.01402	0.4
83.05057	0.3
85.02961	1.2
87.00875	1.1
89.02442	5.3
91.04061	0.2
93.03466	0.8
95.01376	0.4
96.96056	0.3
97.06609	0.3
101.02448	5.9
109.06564	0.3
110.98569	0.2
111.00865	0.4
111.08150	0.4
113.02442	2.4
113.09749	0.4
119.03522	1.2
125.02427	0.2
131.03525	0.3
135.04533	0.4
139.87808	0.2
143.03467	0.3
149.04539	0.2
151.75626	0.2
161.04547	2.9
167.10789	0.3
171.10260	1.2
173.04530	0.4
179.05630	1.0
179.14381	0.9
181.12291	0.3
191.05586	2.0
195.13885	8.7
196.14651	0.5
199.09735	0.4
205.12271	0.9
205.15939	0.5
207.10365	0.3
209.11891	0.3
211.13322	0.7
223.13385	5.6
224.14000	0.2
225.11267	0.5
228.13559	0.7
231.21182	0.6
235.08171	0.4
239.13028	0.2
253.09270	31.1
254.09601	0.6
256.13049	1.3
265.21793	0.4
275.20111	5.6
293.21210	100.0
294.21530	2.9
307.19196	0.4
351.07260	0.2
380.44611	0.2
469.29443	1.3
483.30789	0.3
485.28571	0.4
492.22131	0.9
529.28424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	25.0
62.97021	15.3
64.61568	14.2
77.92034	12.0
80.79571	11.8
82.95426	26.9
83.79922	12.4
98.19839	29.7
229.58661	16.9
255.23149	15.7
274.89325	16.3
277.21774	22.5
285.44641	14.5
429.30029	19.2
465.07190	15.0
469.33316	32.6
527.21216	26.6
527.28552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
57.58228	0.4
59.01384	11.0
61.98812	0.5
62.58645	0.5
67.01878	1.0
68.99792	1.5
69.03442	0.6
69.46169	0.5
71.01009	0.8
71.01382	13.5
71.54486	0.6
72.48923	0.5
72.99311	4.2
73.02927	1.6
75.00875	14.9
78.95914	1.2
83.01382	0.8
85.02455	1.1
85.02954	15.5
87.00876	5.3
89.02436	2.1
93.03405	0.7
95.01389	3.8
96.11002	0.5
99.00887	8.9
103.00358	2.3
113.02450	20.9
115.00357	1.7
117.01909	1.5
121.62898	0.7
129.01926	1.8
173.71396	0.5
175.02444	3.7
192.04984	0.5
205.07106	1.1
231.05055	2.0
232.17416	0.6
249.06149	16.7
258.51535	0.5
267.07208	3.8
275.20334	0.6
277.21719	59.7
278.22098	2.5
347.23608	0.6
465.33667	1.2
467.26544	0.9
509.27316	3.3
521.94476	0.6
526.53564	0.5
527.28534	100.0
528.28796	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
57.03450	2.5
58.00566	0.8
59.01381	13.3
67.01852	0.7
68.99805	0.5
69.03416	0.6
71.01380	19.0
71.55162	0.5
72.99307	4.6
73.02944	1.6
75.00873	16.7
79.95708	0.8
80.96509	3.7
83.01334	1.0
85.02951	22.0
87.00877	6.7
89.02442	4.5
94.98048	0.9
95.00835	0.4
95.01389	5.1
99.00287	0.6
99.00884	9.7
101.02422	1.2
103.00388	2.8
111.00831	0.8
112.01665	0.4
113.02451	30.4
115.00349	1.9
117.01953	2.6
122.97467	0.4
129.01949	1.9
131.03510	0.6
134.81717	0.4
134.97559	0.4
148.99031	0.4
152.98642	0.4
157.01378	1.1
164.98582	1.4
175.02460	3.8
193.03535	0.8
197.83061	0.4
205.07161	2.2
207.04941	0.4
223.08177	0.8
225.00705	1.3
231.05106	1.1
249.06166	6.3
267.07193	7.5
275.20099	0.5
277.21710	50.4
278.21979	2.2
314.21405	0.4
467.26987	0.5
489.34915	2.7
499.82141	0.4
509.27493	2.5
527.28711	100.0
528.29028	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40900	0.9
55.01884	2.4
57.03442	3.0
58.00560	0.8
59.01387	17.5
61.94265	1.0
61.98837	11.6
67.01908	1.0
69.03458	1.5
71.01386	27.5
71.01781	1.9
71.56612	1.7
73.02953	12.8
80.96529	2.1
83.01395	5.5
85.02951	15.7
85.82922	0.9
87.00880	4.0
89.02437	5.5
93.03461	6.8
95.01436	1.4
96.96020	5.1
97.02980	2.0
99.00900	5.4
101.02449	28.4
111.00871	2.6
111.04488	1.3
113.02451	10.4
125.02444	2.2
129.02028	0.9
131.03464	1.2
133.03033	0.9
135.04552	2.6
143.03471	1.6
149.04535	1.5
159.02995	3.6
159.24847	0.9
161.02455	2.8
161.04581	8.1
173.04541	3.8
179.03433	1.3
191.05624	22.0
192.06053	1.9
202.94443	1.0
231.05821	0.9
335.20740	33.3
336.20929	1.4
353.06866	1.2
409.13290	1.4
466.25638	1.0
467.24994	100.0
468.25214	3.1
508.36743	0.9
512.02417	1.1
527.11383	1.5
527.17938	4.6
527.34479	1.1
536.13885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47487	0.3
57.03447	0.5
59.01389	1.5
61.98830	3.8
63.96244	0.7
69.26756	2.5
71.01389	5.2
72.99319	0.6
73.02943	1.4
75.00862	3.2
78.98591	4.4
79.95734	7.6
80.96519	47.8
81.03463	0.8
85.02948	2.7
86.13246	0.3
87.00877	2.4
93.03455	0.6
94.98089	11.1
96.96010	4.0
97.02945	1.5
101.02443	2.3
106.98112	2.2
113.02442	0.5
115.04007	0.4
117.93420	0.3
122.97596	2.7
125.02442	2.8
127.04023	0.8
134.97585	3.7
135.04524	0.4
136.99155	1.2
146.97635	0.3
148.99141	5.6
150.03223	0.3
151.00368	0.5
152.98648	4.8
161.02496	0.4
161.04590	0.5
164.98631	10.4
178.99936	0.3
179.03418	0.3
179.10808	0.7
183.10191	0.5
191.05605	3.3
206.33563	0.3
206.99692	2.0
209.11830	2.5
225.00742	15.8
244.03542	0.3
255.03125	0.3
256.03348	0.4
271.02493	0.7
272.02808	1.2
285.83325	0.3
299.04459	3.1
300.02744	0.9
301.03067	2.2
302.03934	0.8
302.07373	0.4
317.05258	0.5
348.85995	0.3
464.09125	3.8
465.09409	0.3
521.62128	0.3
527.17993	100.0
528.18420	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	527.179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88533	0.5
59.01386	1.0
61.98531	0.9
61.98830	11.9
63.96237	0.9
68.55821	0.4
69.03453	0.8
71.01389	4.6
73.02944	1.4
78.98591	3.5
79.95733	6.3
80.96516	44.6
81.03459	0.6
85.02945	2.3
87.00871	1.5
88.98787	0.7
93.03427	0.5
94.98087	11.3
95.49613	0.4
96.96006	1.4
97.02962	1.2
101.02449	2.4
106.98079	1.6
122.97591	4.3
125.02456	2.4
127.04021	1.0
127.36720	0.5
134.97575	3.2
136.99158	1.1
148.99142	5.6
152.98647	6.2
164.98637	8.3
182.99605	2.2
191.05644	2.8
206.99664	3.8
209.11861	2.7
224.42746	0.5
225.00749	17.6
243.01825	2.0
262.94281	0.5
273.95642	0.4
299.04422	3.2
346.38467	0.5
527.18024	100.0
528.18280	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	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.21371	0.2
69.51855	0.6
69.52287	0.7
71.01394	0.3
78.98606	0.2
79.95743	0.3
80.96519	2.4
85.02956	0.2
94.98113	0.7
95.31084	0.2
101.02442	0.3
152.98685	0.2
164.98662	0.3
191.05559	0.3
210.12192	0.2
225.00787	0.5
433.37683	0.2
466.23853	0.6
474.04233	0.2
526.16718	4.9
527.17328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61384	0.2
58.80889	0.2
59.01384	0.7
61.98833	100.0
62.98518	0.2
63.90620	0.2
71.01379	1.0
71.55492	0.3
73.02938	0.5
78.98577	0.2
79.95732	0.2
80.96525	1.2
85.02957	0.4
91.29276	0.2
92.44063	0.2
93.03481	0.4
94.98127	0.3
96.96037	0.6
99.00919	0.2
101.02465	0.8
102.02818	0.3
107.82197	0.2
113.02434	0.3
139.58382	0.2
151.72806	0.2
161.02469	0.3
161.04543	0.2
164.32571	0.2
165.14952	0.2
184.23364	0.2
191.05609	0.9
192.06020	0.2
202.28139	0.2
209.12039	0.2
225.00800	0.3
255.03043	0.2
271.02701	0.2
272.77316	0.2
300.02951	0.3
333.19223	0.2
334.19611	0.3
438.09970	0.2
463.09006	0.6
465.23813	0.7
466.23721	3.2
467.24918	0.2
496.28473	0.2
526.16858	2.9
526.23401	0.2
527.18182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64663	0.1
59.01376	0.4
59.83211	0.2
61.98830	100.0
69.26128	0.3
69.26523	1.3
70.38189	0.1
71.01379	0.7
73.02963	0.2
78.98607	0.4
79.95760	0.4
80.96516	3.0
80.96954	0.2
85.02958	0.3
87.00875	0.2
89.02445	0.3
93.03432	0.2
94.98073	1.0
96.96032	0.4
101.02464	0.5
122.97602	0.3
125.02478	0.3
137.02431	0.3
137.40291	0.2
148.18806	0.2
148.99142	0.3
152.98521	0.3
161.02440	0.3
164.98659	0.5
179.03659	0.2
191.05634	1.0
206.99794	0.2
209.11795	0.2
225.00647	1.2
299.04456	0.3
302.20737	0.2
387.16592	0.2
466.23148	0.6
520.16858	0.2
526.20471	0.2
527.18024	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47100	0.8
57.70806	0.7
58.34220	0.8
61.98829	20.1
69.57300	1.4
69.57712	3.1
71.01376	0.8
73.02946	0.8
77.21809	0.7
80.96507	3.4
107.01385	1.4
108.02184	0.9
109.02984	1.2
121.02953	1.2
148.01563	1.4
151.00343	7.8
152.63354	0.8
152.98677	0.9
163.00258	1.1
164.01051	0.9
178.99893	4.2
179.01126	0.8
226.02684	1.2
227.03555	2.0
243.02902	6.5
245.04404	1.0
254.02213	1.4
255.02957	18.3
271.02438	40.0
272.02960	2.1
273.03711	1.1
283.02393	0.8
300.02734	76.2
301.03503	33.8
302.03876	1.2
350.18704	0.8
463.08792	100.0
464.09296	3.8
526.16742	4.3
527.17456	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	525.2706
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
50.76134	0.5
52.72606	0.6
55.01881	1.1
57.03442	1.5
59.01387	3.8
61.98796	0.6
69.03458	6.7
70.92030	1.1
71.01384	1.7
71.05013	2.4
73.02950	0.8
73.56842	0.6
80.02684	1.1
81.03477	2.3
83.01400	2.0
83.05032	5.9
83.82170	0.5
84.02181	1.2
94.04048	0.6
95.05022	2.0
97.02977	1.0
97.06589	1.8
99.00877	0.6
108.02174	0.7
109.06639	0.6
123.08163	2.0
125.06097	0.9
125.09731	5.9
134.07875	0.6
135.04599	0.8
135.08214	0.5
136.48445	0.5
137.09676	0.7
149.09721	1.2
151.11317	3.9
153.12881	2.0
160.67639	0.5
161.09741	7.9
163.11290	6.6
165.12854	3.1
171.10254	0.9
179.10783	26.6
181.12347	0.9
185.11836	1.7
191.10768	1.8
197.11832	83.3
198.12126	1.8
207.10271	0.6
209.11832	67.8
210.12164	1.7
221.11723	0.6
223.09798	2.9
225.11229	0.8
227.12898	8.7
241.10828	13.4
243.12244	0.8
289.17938	0.9
297.13474	5.0
315.14502	16.2
316.14954	0.6
389.23398	1.3
463.27255	1.4
471.39282	0.6
495.24231	0.7
507.26154	2.2
525.27045	100.0
526.27350	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	525.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
56.09491	0.9
57.03440	2.2
58.00596	4.2
59.01378	87.5
60.38344	0.8
61.98816	1.5
69.45510	6.1
71.01382	65.3
72.99294	2.8
73.02940	8.1
75.00854	0.9
77.70541	0.8
80.67404	0.7
83.01373	2.1
85.02946	8.0
87.00892	4.8
88.98766	1.0
89.02443	100.0
93.03455	4.5
96.95976	2.0
99.00871	1.3
101.02444	51.3
108.07626	0.8
111.00871	10.7
113.02456	12.2
119.03497	7.9
125.02489	1.0
131.03500	34.5
133.02956	1.4
134.03773	0.9
135.04500	2.7
137.02370	1.0
143.03468	1.5
146.94919	0.7
149.04555	95.4
150.04909	1.1
161.02405	2.5
161.04552	3.2
173.00963	1.5
173.04547	2.6
175.03954	1.4
176.03905	0.9
179.03374	1.4
191.05605	26.2
197.11818	2.8
251.07843	1.1
272.20880	1.0
281.08875	1.1
293.08685	2.1
311.09738	3.4
525.21637	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21911	0.1
55.74384	0.1
56.01520	0.1
56.87060	0.2
56.87359	0.1
59.01380	1.3
61.98832	100.0
63.36042	0.1
68.62121	0.1
70.29429	0.3
70.29819	0.3
71.01391	0.8
85.02953	0.5
87.00878	0.3
89.02469	0.4
93.03458	0.4
101.02455	0.5
111.00910	0.4
111.04562	0.2
113.02486	0.4
133.02986	0.2
135.04558	0.2
137.02512	0.2
140.50430	0.1
161.02423	0.3
165.04300	0.1
173.04591	0.3
175.04086	0.2
191.05627	1.4
254.66162	0.1
290.83286	0.2
361.29565	0.2
437.08093	0.1
523.35144	0.6
524.35028	0.9
525.20184	0.2
534.18433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.3
61.43420	1.5
61.98834	15.0
64.13171	1.4
67.01886	1.6
70.92982	3.6
71.01401	9.8
72.99303	1.9
75.00877	2.7
79.89510	1.5
85.02955	7.7
87.00894	2.6
88.98835	1.8
89.02447	7.2
93.03477	4.4
95.01424	1.5
96.96017	23.9
98.95583	2.4
99.04517	2.7
101.02460	6.8
108.02181	20.2
109.02946	11.8
111.00837	2.0
113.02425	8.4
113.06087	1.9
117.03491	1.8
119.03501	2.1
119.05022	3.6
121.02963	11.2
122.03780	7.9
123.04545	19.2
124.01682	1.9
125.02486	2.3
133.04958	1.6
135.04503	2.4
137.06061	2.2
145.03014	12.1
147.04556	2.6
149.02441	21.5
149.04477	1.7
149.06017	1.6
150.03232	62.7
151.04025	2.6
152.01157	40.2
153.01968	19.4
161.02498	1.7
161.04599	1.5
163.04028	5.0
164.04768	5.7
165.05579	84.3
166.02747	3.4
166.05930	2.0
167.03503	100.0
168.03784	2.3
173.04639	1.7
180.04254	5.3
181.05061	2.1
191.05602	7.6
194.02214	2.1
195.02992	14.0
195.04732	2.7
195.06641	47.3
209.02840	2.0
209.04597	6.3
224.04791	2.6
241.00223	5.0
255.05115	12.0
256.07495	11.1
271.09766	5.8
297.06195	3.5
315.08783	38.7
329.08630	1.8
363.10892	64.0
363.15613	2.4
373.11472	2.2
427.06805	2.5
429.12418	5.1
481.13290	7.8
489.16147	13.4
525.11603	35.7
525.19379	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98588	0.4
57.03432	0.5
58.54107	0.5
59.01093	0.8
59.01378	7.5
63.96242	1.0
69.03453	0.8
71.01382	8.2
73.02943	2.9
75.00869	6.2
78.98586	5.1
79.95734	8.9
80.17133	0.4
80.66518	0.4
80.96516	56.0
81.03469	0.7
85.02944	3.5
87.00864	2.7
88.77182	0.4
93.03465	0.9
94.98090	13.4
95.01350	0.6
96.96009	1.6
97.02937	1.3
97.60587	0.4
99.00872	0.7
99.04539	0.5
101.02452	2.8
103.79343	0.4
104.49515	0.4
106.98083	2.8
111.00881	9.6
112.01211	1.0
113.02419	0.7
122.97582	4.8
125.02446	2.9
127.04022	0.8
134.97586	4.8
135.04544	0.5
136.99141	0.9
146.97539	0.4
148.99138	5.0
152.98634	6.8
164.97325	0.7
164.98634	10.3
167.00267	0.5
173.00912	0.8
173.04539	0.5
179.14383	0.4
182.99687	2.5
191.05602	1.8
195.13960	0.4
205.12352	0.5
206.99648	2.6
223.13367	2.2
225.00742	17.6
225.02957	0.9
243.01790	1.4
299.04480	2.4
411.70404	0.8
523.18530	100.0
524.18732	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41690	0.8
53.18188	0.8
54.30650	0.9
55.01865	1.3
55.37765	0.9
57.03447	1.8
59.01102	1.5
59.01379	19.5
59.89478	0.8
61.98833	2.2
65.00314	1.1
65.88914	0.8
66.73045	0.7
67.01881	4.0
68.99804	1.9
69.03454	13.3
70.59795	3.2
71.01384	16.9
72.99317	1.3
73.02956	4.7
75.00860	1.6
75.73231	0.8
79.05541	1.1
81.03442	1.9
83.01370	2.1
85.02946	8.8
87.00869	3.8
87.60641	0.9
89.02445	8.9
90.88076	0.8
91.01888	3.0
92.69904	0.8
93.03472	4.9
95.01391	1.9
95.05025	5.5
96.96001	5.6
97.02967	11.3
99.00866	1.6
99.04504	2.3
101.02448	12.2
105.03453	2.5
106.04236	1.4
107.01383	2.0
107.04981	1.2
108.02176	9.9
109.02944	6.5
111.00881	4.6
111.04565	1.1
113.02445	11.3
119.03515	1.8
119.05008	2.9
121.02949	1.6
121.06587	5.7
122.03732	1.4
123.00892	3.8
123.04520	59.1
125.02470	1.8
127.03986	0.9
131.03551	1.7
133.02925	1.3
134.03745	3.7
135.04482	1.3
136.01683	1.8
137.02434	1.3
143.03479	6.1
145.02930	1.4
149.04584	3.0
149.06056	16.1
150.03217	2.4
151.00371	11.5
151.04018	1.0
152.01157	14.0
152.03033	1.0
153.01909	3.6
153.05441	1.3
154.88103	0.8
158.53268	0.9
161.02435	4.3
161.04578	4.6
161.05785	0.9
163.04021	1.8
165.02023	1.1
165.03854	0.9
165.05615	1.3
166.02719	14.1
167.03491	68.9
167.07130	13.8
173.04546	2.5
176.03951	0.8
179.03432	1.2
181.05058	16.9
182.65926	0.8
191.05579	15.5
191.07179	1.6
192.05923	1.0
193.05031	13.2
194.02202	11.0
195.02975	2.7
195.06624	1.0
209.04539	100.0
209.11740	1.8
210.04927	1.9
211.06111	2.5
211.42213	0.8
227.13083	1.1
239.05580	19.9
248.05937	1.3
255.04985	2.4
269.06644	38.1
270.06876	1.1
276.27145	0.9
296.05231	1.3
297.06021	1.4
311.07727	29.7
329.08759	12.7
331.17599	2.8
441.61197	1.5
463.21741	24.6
479.15628	2.0
491.17953	1.3
505.13995	1.1
522.26166	1.4
523.14319	22.2
523.27014	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.4
60.45111	0.5
63.17670	0.5
67.01876	0.6
68.99815	3.2
69.43092	3.4
71.01378	4.5
73.02972	0.7
73.71242	0.5
81.75265	0.5
83.01399	0.7
85.02962	1.2
89.02462	2.7
90.21929	0.5
91.05598	0.5
93.03466	21.0
93.69917	0.5
95.01386	0.9
101.02450	2.3
107.05061	4.0
108.02202	1.7
109.02229	1.1
109.02962	20.6
111.00909	1.5
113.02460	1.9
119.05041	5.4
121.02977	0.5
123.00882	1.1
123.04531	1.3
124.01653	1.5
129.49554	0.5
133.18454	0.5
135.04526	4.5
137.02451	9.8
137.06078	2.3
149.02411	1.1
151.04031	2.1
152.00014	0.3
152.01149	12.8
153.01939	43.8
154.02240	0.8
161.02444	1.5
161.04549	0.5
163.04007	7.1
165.01974	0.6
167.03560	0.7
181.05080	3.1
183.13467	0.6
191.05640	1.6
195.02991	64.0
196.03362	1.3
207.02991	18.2
209.12070	0.5
223.65154	0.5
225.04021	1.4
226.74472	0.6
235.69255	0.5
246.90096	0.5
255.05095	100.0
256.05420	2.8
297.06155	9.0
297.09415	0.4
315.07208	9.1
343.10217	3.3
361.09393	0.9
387.09537	0.8
419.09912	0.6
435.13297	2.9
463.21826	1.2
479.11942	52.5
480.12360	3.3
483.26932	0.5
523.10925	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	522.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.0
59.01381	38.6
60.01715	0.6
61.98831	100.0
63.88123	0.4
67.01899	0.7
68.22628	0.4
71.01382	3.5
73.02965	0.8
73.36996	0.4
83.01416	0.5
85.02961	1.5
87.00861	0.5
88.98853	0.6
89.02462	1.6
93.03461	2.9
99.00908	0.7
99.04531	3.3
101.02438	4.4
105.05616	0.5
109.06590	0.6
111.00896	0.6
111.04523	0.8
113.02461	1.5
119.03514	0.5
125.02472	0.9
127.03997	0.7
132.02187	0.7
133.02971	12.3
134.03392	0.7
135.04512	5.0
137.02472	1.7
139.43970	0.5
145.03033	1.1
155.03529	1.6
161.02444	33.3
161.04433	4.0
162.02794	2.2
163.04010	0.5
163.11343	0.8
173.04559	5.5
176.03998	1.0
179.03513	4.7
180.03940	0.5
191.03569	1.4
191.05667	6.2
207.10326	1.4
208.10703	1.7
209.11906	1.2
222.53589	0.6
223.06165	1.3
225.11282	0.6
226.11722	1.0
229.50745	0.5
233.06694	0.9
241.07277	0.7
248.06133	2.4
253.09221	0.9
267.18622	0.5
274.03915	0.5
324.87299	0.6
335.07733	4.1
336.08038	0.6
373.22260	2.5
415.23190	2.3
441.12289	2.0
462.20743	1.3
497.13254	1.0
523.34729	0.6
547.16943	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28304	0.2
55.01888	2.0
57.03453	2.3
58.00597	1.2
58.00852	0.2
59.01384	24.7
61.98840	0.5
67.01924	0.2
68.99808	0.3
69.03461	1.4
71.01385	37.7
71.54851	0.2
72.99311	1.9
73.02953	12.3
75.00875	2.6
80.20395	0.2
81.03457	0.7
83.01395	5.1
85.02956	16.0
86.00101	0.3
87.00883	2.8
87.04515	0.2
89.02451	17.8
90.02782	0.2
93.03474	1.0
95.01392	2.5
96.96014	0.7
97.02948	2.0
99.00888	6.4
99.04530	0.9
101.02449	29.9
102.02794	0.3
109.02947	0.7
111.00885	2.1
111.04517	0.3
113.02454	13.1
115.04029	1.6
119.03518	2.6
123.00832	0.3
123.04524	0.7
125.02471	3.2
127.04008	0.2
129.01955	0.9
131.03511	6.9
131.04474	0.5
133.02957	0.4
135.04514	0.7
137.02428	0.4
143.03500	1.9
145.02954	0.4
147.11803	0.2
149.03394	0.2
149.04565	4.3
149.05908	0.3
151.03986	0.2
153.02000	0.2
159.02989	2.1
160.04089	0.4
161.02553	1.7
161.04564	8.8
163.03946	0.3
173.04539	1.3
179.03555	0.4
179.05649	0.7
187.07828	0.2
191.05623	5.6
191.07356	0.3
192.05984	0.5
193.05032	0.4
204.59351	0.2
215.05641	0.3
227.16435	1.2
229.01349	0.3
233.06660	1.7
293.08698	1.2
311.09872	0.2
347.16971	0.3
359.14908	0.5
371.20682	0.5
389.21820	30.7
390.22061	1.3
399.12387	0.2
431.14618	0.4
461.19708	0.3
520.63800	0.2
521.26062	100.0
522.26410	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	521.2609
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
55.01874	2.6
57.03448	2.8
58.00612	1.4
59.01382	31.0
67.01883	0.3
69.03461	4.1
69.29568	2.4
70.03792	1.1
71.01385	42.0
71.03835	0.3
72.01699	0.2
72.99299	1.4
73.02953	13.9
75.00871	0.9
81.03441	0.4
83.01386	6.3
85.02953	15.5
86.00110	0.5
87.00881	2.9
87.04529	0.3
89.02450	17.7
93.03487	1.0
93.73829	0.3
95.01369	1.8
95.05033	0.5
96.96017	1.0
97.02953	3.7
98.03265	0.4
98.19962	0.7
99.00883	6.1
99.04517	0.3
101.02449	30.0
102.02783	0.6
105.17406	0.3
108.02210	0.6
111.00875	2.5
113.02455	15.4
114.02774	0.7
115.04016	1.2
116.92801	0.3
117.03464	2.6
118.03817	1.1
119.03490	2.7
119.05026	4.4
120.05405	1.7
121.02970	0.3
121.05713	0.5
121.06605	1.0
123.04536	5.2
124.04849	2.3
125.02458	3.0
125.04994	0.6
127.04032	0.3
129.01949	0.8
131.03513	7.0
141.01999	0.3
143.03525	1.7
145.02966	10.7
146.03297	5.1
147.03522	2.4
147.11726	0.3
149.04565	4.3
149.06058	1.3
150.06438	0.7
151.06563	0.3
159.03014	2.2
161.04579	7.8
161.05971	0.3
163.04019	5.1
164.04373	2.4
165.04526	1.1
167.07152	1.3
168.07480	0.5
173.04610	1.4
173.05917	0.3
177.30554	0.3
179.05659	0.8
179.58926	0.3
187.03995	0.9
188.04298	0.4
189.04568	0.4
191.05579	3.6
193.05122	0.8
195.05518	0.4
205.05031	0.6
206.05333	0.5
211.06104	0.6
212.06465	0.5
213.06720	0.5
215.05565	0.7
227.16516	0.7
233.06659	2.3
258.29562	0.3
293.08807	1.0
308.08490	0.5
327.09921	0.5
347.17078	1.2
357.11002	0.7
366.34106	0.3
371.20728	0.9
389.21823	33.0
390.22186	0.7
520.64087	0.5
521.16193	4.6
521.26074	100.0
522.26331	4.8
535.41040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
57.03448	2.8
58.00612	1.4
59.01382	31.0
67.01883	0.3
69.03461	4.1
69.29568	2.4
70.03792	1.1
71.01385	42.0
71.03835	0.3
72.01699	0.2
72.99299	1.4
73.02953	13.9
75.00871	0.9
81.03441	0.4
83.01386	6.3
85.02953	15.5
86.00110	0.5
87.00881	2.9
87.04529	0.3
89.02450	17.7
93.03487	1.0
93.73829	0.3
95.01369	1.8
95.05033	0.5
96.96017	1.0
97.02953	3.7
98.03265	0.4
98.19962	0.7
99.00883	6.1
99.04517	0.3
101.02449	30.0
102.02783	0.6
105.17406	0.3
108.02210	0.6
111.00875	2.5
113.02455	15.4
114.02774	0.7
115.04016	1.2
116.92801	0.3
117.03464	2.6
118.03817	1.1
119.03490	2.7
119.05026	4.4
120.05405	1.7
121.02970	0.3
121.05713	0.5
121.06605	1.0
123.04536	5.2
124.04849	2.3
125.02458	3.0
125.04994	0.6
127.04032	0.3
129.01949	0.8
131.03513	7.0
141.01999	0.3
143.03525	1.7
145.02966	10.7
146.03297	5.1
147.03522	2.4
147.11726	0.3
149.04565	4.3
149.06058	1.3
150.06438	0.7
151.06563	0.3
159.03014	2.2
161.04579	7.8
161.05971	0.3
163.04019	5.1
164.04373	2.4
165.04526	1.1
167.07152	1.3
168.07480	0.5
173.04610	1.4
173.05917	0.3
177.30554	0.3
179.05659	0.8
179.58926	0.3
187.03995	0.9
188.04298	0.4
189.04568	0.4
191.05579	3.6
193.05122	0.8
195.05518	0.4
205.05031	0.6
206.05333	0.5
211.06104	0.6
212.06465	0.5
213.06720	0.5
215.05565	0.7
227.16516	0.7
233.06659	2.3
258.29562	0.3
293.08807	1.0
308.08490	0.5
327.09921	0.5
347.17078	1.2
357.11002	0.7
366.34106	0.3
371.20728	0.9
389.21823	33.0
390.22186	0.7
520.64087	0.5
521.16193	4.6
521.26074	100.0
522.26331	4.8
535.41040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65656	1.0
57.03436	1.7
59.01382	41.5
67.01893	1.9
68.99836	1.3
70.88252	1.5
70.88586	2.4
71.01380	11.3
72.99312	1.5
73.02941	2.6
75.75022	1.2
81.03452	2.9
83.01392	2.6
83.05042	3.5
85.02957	7.6
87.00872	3.1
89.02443	7.1
93.03463	21.8
93.31486	1.1
95.01360	1.8
96.96021	2.4
97.02946	4.1
99.00899	2.6
101.02457	10.1
105.82758	1.2
107.05019	1.3
109.06594	41.8
109.07350	2.2
110.03738	1.2
111.00887	23.3
113.02454	5.0
119.03477	2.2
119.05017	1.4
121.06618	1.8
121.82564	1.1
128.46584	1.3
135.04503	1.7
135.08141	5.3
136.79288	1.2
137.02446	59.0
142.02690	2.7
161.04553	3.3
161.09700	2.5
163.11298	20.1
164.90683	1.2
168.49554	1.2
173.00941	1.9
173.04602	2.6
181.12317	4.4
189.09222	3.3
191.05606	17.5
207.10266	100.0
208.10632	2.4
209.11794	1.7
225.11317	47.1
236.04001	1.2
253.09271	26.6
264.02182	1.2
269.10004	1.3
299.15085	1.6
318.05325	1.9
348.95078	1.2
410.19305	2.4
443.19177	2.7
461.20291	43.2
521.16418	3.2
521.25867	1.3
521.33490	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	521.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
63.78233	0.5
64.77585	0.5
66.35046	0.5
66.89761	0.5
68.99808	0.6
71.01379	2.4
71.54778	0.8
73.02950	46.8
75.00872	0.9
77.29491	0.5
81.62716	0.6
84.09612	0.6
85.02985	0.8
88.47838	0.6
89.02444	0.7
91.22812	0.5
92.96000	1.4
96.96003	1.1
99.00884	5.1
115.00294	0.8
116.92852	3.1
116.97266	3.1
117.01945	100.0
118.96662	0.6
123.04652	0.6
135.04558	1.6
135.11029	0.6
137.02464	1.5
161.80415	0.5
179.05630	2.3
182.07324	0.7
186.16359	0.6
189.05360	0.7
195.06540	0.7
241.07265	0.9
253.12325	0.9
265.56238	0.7
277.61780	0.6
341.10406	2.2
352.75504	0.6
429.04544	2.2
461.07089	4.4
461.49936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
59.58432	0.9
67.01903	1.1
69.57977	6.8
71.01375	3.5
72.99329	1.2
73.02950	53.1
75.00869	3.8
78.95905	1.6
89.02465	1.5
96.96987	3.9
98.19928	2.3
99.00891	6.0
101.02448	4.2
115.88388	1.1
116.07229	1.5
116.92827	1.1
117.01948	100.0
127.04026	5.7
143.03526	1.3
146.74960	1.1
178.97383	1.9
179.05621	15.6
193.04945	1.6
206.56020	1.1
223.06335	1.4
241.07217	6.2
341.10342	1.3
391.02881	1.0
403.12320	1.8
541.50018	1.1
545.58655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.2
59.01379	1.1
61.98830	100.0
70.93328	0.2
70.93656	0.3
71.01393	0.6
72.30519	0.2
85.02963	0.3
89.02452	0.5
93.03444	0.3
99.00919	0.2
101.02467	0.3
109.06606	0.3
111.25619	0.2
113.02482	0.2
173.04634	0.2
191.05583	1.1
207.10280	0.5
225.11285	0.8
226.11671	0.5
253.09367	0.3
260.76965	0.2
317.55286	0.2
461.20563	0.4
521.33545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95096	0.5
57.03444	1.0
57.76413	0.5
59.01381	35.1
60.07836	0.5
61.98832	100.0
67.01888	0.6
71.01379	4.2
73.02952	1.9
83.01396	0.8
84.95145	0.7
85.02959	2.4
87.00879	0.7
89.02462	1.7
93.03478	2.6
96.96021	3.7
98.20766	1.2
101.02453	2.7
109.02915	0.7
111.00864	0.6
113.02461	1.6
135.04469	0.7
137.02481	0.7
145.02919	0.6
149.04529	0.8
161.02434	0.8
161.04567	1.7
166.05081	0.8
173.04552	2.3
191.05615	11.8
207.10245	1.2
317.55356	1.2
371.20660	1.2
413.21906	1.7
471.60989	1.0
491.19672	0.6
520.14276	1.1
521.15698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25688	0.5
53.05192	0.5
57.03424	0.8
59.01382	89.3
60.01711	1.9
61.98832	100.0
71.01382	6.1
73.02948	1.7
85.02959	4.0
86.03294	0.6
87.00871	1.2
89.02424	2.5
93.03437	1.9
96.96007	1.1
101.02442	4.0
109.02909	0.7
111.00887	3.8
111.04419	0.6
113.02486	2.5
113.03136	0.5
119.03503	0.9
133.02910	0.9
135.04462	1.3
137.02405	0.7
143.78156	0.5
145.02936	0.6
149.04465	0.7
161.02492	2.4
161.04491	1.7
162.02696	0.7
173.04507	1.2
175.03963	0.5
191.01912	0.7
191.05614	7.3
219.91104	0.5
229.21933	0.7
364.52060	0.5
371.20615	3.7
399.23401	0.7
400.24152	3.8
413.21725	5.7
417.21506	0.6
418.24689	0.7
460.25903	1.1
520.18695	1.0
521.32135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3329
Annotation	Alisol P
Peak:m/z	Relative Intensity
57.03458	1.2
59.01388	0.8
61.98837	3.0
64.20864	0.4
68.52048	0.5
69.03485	0.5
69.50909	1.8
69.51318	1.8
70.89498	0.6
71.01376	0.9
73.02979	0.9
74.82738	0.4
75.71172	0.4
78.52880	0.5
81.04931	0.5
86.79026	0.5
87.00904	2.0
98.62818	0.5
141.96628	0.6
153.70331	0.5
166.43784	0.5
196.56732	0.5
262.32217	0.5
302.73218	0.5
352.34512	0.6
417.29294	0.7
429.33942	0.7
445.29596	38.7
446.30045	2.2
447.31137	35.6
448.31552	1.8
471.31146	1.1
475.34302	100.0
476.34756	6.3
489.31824	0.7
501.32104	4.5
519.33264	51.7
520.33673	4.2
540.15912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3328
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
57.03466	1.2
59.01383	2.5
61.98813	1.4
64.49293	0.6
71.01401	0.6
73.02941	4.8
89.34082	0.5
112.90538	0.5
165.16399	0.5
173.74962	0.4
191.05656	1.5
229.45712	0.6
353.36395	0.5
361.28986	0.7
434.35229	0.5
445.29318	4.0
447.31186	2.1
453.30032	0.7
459.30408	0.6
471.31049	2.8
475.34271	49.7
476.34674	3.9
489.32263	7.9
490.32404	0.8
501.32217	9.7
519.33234	100.0
520.33673	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	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43456	0.3
55.01881	0.9
57.03454	1.9
58.00586	1.3
58.23357	0.2
59.01380	33.4
60.24138	0.3
62.74569	0.3
67.01891	0.4
69.03454	1.7
71.01383	30.4
71.05032	0.3
71.55138	0.3
72.49948	0.2
72.99307	1.6
73.02950	9.2
75.00868	1.0
81.03455	0.9
82.81825	0.2
83.01404	3.2
83.05042	0.5
85.02952	8.7
87.00874	3.1
89.02448	24.1
91.01905	0.6
93.03456	2.4
95.01390	2.1
96.96008	0.5
97.02943	1.8
99.00882	8.3
99.04531	0.6
101.02444	21.8
102.02792	0.3
103.04014	1.7
107.05033	0.6
108.86559	0.2
109.02930	0.3
111.00902	0.9
113.02449	8.0
115.00366	1.6
115.04008	1.3
117.03431	0.3
119.01368	0.3
119.03500	5.7
119.05016	0.4
120.99665	0.6
121.02965	1.1
123.04557	0.4
123.08192	0.3
125.02452	4.5
127.04026	0.6
131.03517	3.4
133.02950	0.4
135.04556	0.5
137.02458	0.9
137.09717	0.9
137.58487	0.2
141.01958	0.3
143.03502	1.1
144.04538	0.4
145.02930	1.2
145.05043	0.3
149.03380	0.3
149.04559	4.2
151.03999	7.0
151.07619	0.7
151.11311	0.3
152.08401	0.7
153.12827	0.5
157.01456	0.3
161.02483	0.5
161.04579	1.6
163.04019	0.5
163.06134	2.0
169.08731	0.4
173.04556	1.6
174.05637	0.2
175.02493	2.5
177.01921	0.5
179.03581	0.2
179.05588	0.5
181.12389	0.4
191.05608	4.4
193.05107	0.4
195.13910	1.0
197.15399	1.4
203.05876	0.6
207.13846	1.4
208.96089	0.2
209.11809	0.3
213.07745	0.5
215.05716	0.3
225.14951	8.0
226.15279	0.5
233.06685	1.6
247.08173	0.7
256.58258	0.3
293.08694	0.9
297.16870	0.4
307.10330	1.2
325.11343	0.3
336.10910	0.3
343.13046	1.1
375.12930	1.5
387.20236	18.0
388.20590	0.9
391.12585	0.5
403.14996	0.6
417.14081	0.7
418.14532	0.2
427.12454	0.5
441.19247	0.3
457.16510	0.4
459.13501	0.3
470.34906	0.3
519.24481	100.0
520.24762	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03448	1.9
58.00589	1.8
59.01379	49.8
60.01700	0.3
67.01883	0.4
68.99804	0.4
69.03455	2.0
69.46569	1.5
71.01380	54.1
72.01711	0.6
72.99305	1.8
73.02945	14.2
75.00878	1.3
79.01912	0.4
81.03452	1.5
81.07108	0.5
83.01378	3.7
83.05026	2.2
85.02949	11.5
87.00877	2.7
89.02441	52.2
90.02794	0.4
91.02873	0.3
95.01379	2.2
97.02950	5.0
99.00878	14.7
99.04552	0.9
100.01203	0.4
101.02440	26.2
102.02775	0.3
107.05045	1.2
109.02981	0.3
111.00899	1.4
111.64628	0.2
113.02450	12.5
113.85198	0.2
114.32486	0.3
115.04012	2.6
119.03506	4.9
119.04868	0.3
121.06607	1.1
121.10236	1.0
123.08160	25.4
124.08547	0.6
125.01518	0.6
125.02448	12.1
127.04021	0.7
129.01913	0.4
131.03499	10.6
131.04472	0.5
132.03828	0.4
133.05081	0.4
137.09720	6.1
139.03987	0.7
143.03499	3.2
145.10294	0.4
147.08182	0.3
149.04553	16.3
150.04884	0.3
151.07703	0.4
152.08472	0.7
153.09204	1.2
155.08597	0.3
155.10829	0.6
159.03021	1.3
161.04553	11.8
163.11284	26.6
164.11656	0.6
171.11795	0.6
173.04576	0.4
173.09749	1.0
175.06145	0.4
179.05608	4.2
189.12839	16.5
190.13165	0.3
191.05605	7.4
192.05925	0.4
205.12346	0.7
206.12717	0.3
207.13904	16.2
208.14240	0.6
215.05544	0.4
221.06667	0.4
225.14944	2.9
233.06644	11.6
234.07059	0.4
241.07217	0.7
251.07851	0.8
277.68909	0.3
293.08752	12.3
294.09256	0.5
295.09247	0.3
365.14850	0.3
369.19019	0.4
387.20200	8.4
388.20828	0.7
417.94009	0.4
457.41589	0.3
501.23776	1.0
519.24634	100.0
520.24945	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	519.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.8
59.01378	34.7
59.55322	0.4
62.11551	0.4
68.99809	1.0
69.36175	3.3
69.36549	0.8
71.01382	19.3
72.99305	1.4
73.02938	6.5
73.86635	0.4
83.01390	0.7
85.02918	2.1
87.00886	0.7
89.02442	24.0
97.02944	0.8
98.20698	0.9
99.00879	18.0
99.04460	0.4
101.01789	0.7
101.02438	11.5
113.02442	4.6
115.03964	0.4
119.03487	1.5
123.04494	1.8
123.08131	1.7
125.02438	1.6
131.03516	4.1
143.03477	0.8
149.04556	5.7
161.04536	1.6
163.11290	3.8
189.12813	0.9
191.05609	5.5
196.62903	0.4
207.10262	3.5
207.13893	1.3
225.07628	0.6
233.06575	0.8
257.26178	0.5
293.08740	0.5
387.16412	1.3
387.20688	0.5
424.32724	0.4
428.40756	0.4
519.20703	100.0
520.20850	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95531	0.7
56.21173	0.7
58.27302	1.0
59.01379	100.0
61.54663	0.9
61.98843	2.0
65.36981	0.8
69.88472	4.1
74.37334	1.0
74.95635	0.9
98.20620	1.6
104.32829	0.8
135.66425	0.9
162.22633	0.9
189.58482	0.9
196.70930	0.8
243.97223	0.8
517.31604	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	519.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50241	0.8
59.01380	42.6
63.21818	0.8
68.33047	0.9
68.99846	0.9
70.86765	1.0
70.87089	1.4
71.01381	23.5
71.54311	1.0
72.99312	1.2
73.02945	6.8
85.02962	6.7
87.00860	1.6
88.01219	0.9
89.02445	26.2
97.02963	1.3
99.00886	13.0
101.02441	19.2
113.02451	6.2
114.13538	1.0
117.03454	4.3
119.03501	3.6
123.04527	1.7
125.02404	1.4
131.03500	3.1
132.02167	13.4
133.02930	3.3
134.03741	59.7
135.04503	3.3
136.01624	1.3
137.02386	1.1
147.04562	1.6
148.05284	1.3
149.04578	3.3
149.06049	7.9
160.01660	81.1
161.02303	3.5
161.04584	1.2
163.06093	2.9
163.11285	1.2
172.62573	0.9
173.06088	1.7
175.03999	98.6
176.04771	12.4
177.01875	1.7
178.02664	4.1
179.05548	1.3
181.07176	6.1
191.05568	4.0
191.07138	13.2
193.05051	100.0
194.05321	2.1
205.07210	1.6
207.06612	7.5
207.10274	2.1
220.03700	2.1
234.66327	1.0
235.06105	36.2
265.07187	6.4
295.08298	8.4
325.11523	7.3
337.09195	2.5
343.12338	2.8
355.10327	3.9
387.16629	1.1
394.99722	1.0
396.67542	0.9
409.65479	1.0
519.17346	93.8
520.18140	3.2
520.20618	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	517.3167
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
56.05495	0.3
57.03435	0.4
59.01357	0.7
59.47484	0.3
71.01379	0.7
73.02943	2.9
88.02322	0.3
98.20677	0.6
98.99851	0.3
109.55415	0.3
110.92587	0.3
152.99554	0.4
158.86816	0.4
229.51996	0.4
351.26831	0.4
381.28076	1.4
389.28464	2.9
411.92395	0.4
436.39581	0.4
455.31525	2.6
471.31073	0.6
473.32706	31.9
474.33304	2.1
499.30640	1.8
517.31689	100.0
518.32043	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	517.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45357	0.7
56.64174	0.8
59.01390	4.5
61.98838	1.3
66.79185	0.7
71.01382	3.0
71.56509	1.2
73.02955	1.0
78.87559	0.8
78.95930	1.0
79.95750	2.7
85.02956	0.7
89.02461	2.3
96.96014	100.0
96.96902	4.6
97.72491	0.8
101.02457	1.6
113.02439	1.7
119.03513	1.0
148.04128	0.8
161.04541	1.1
163.22652	0.8
163.24068	0.8
202.24681	0.9
253.09253	9.8
281.24857	79.3
282.25296	2.8
349.27615	0.9
532.56860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11541	0.5
55.01886	1.4
57.03442	1.6
58.00597	2.7
59.01379	69.7
69.03458	4.0
70.03428	2.7
70.56267	0.5
71.01381	64.8
72.99301	2.5
73.02946	18.9
75.00865	0.6
81.03455	2.3
83.01384	3.1
83.05051	0.8
85.02950	10.4
87.00873	3.7
89.02446	85.3
89.06783	0.5
95.01388	1.9
95.05054	0.8
97.02953	6.3
98.19856	0.6
98.95587	0.7
99.00883	25.1
101.02445	35.8
109.02945	0.7
111.00874	1.7
111.04551	1.2
113.02456	12.7
113.06096	0.9
115.04009	2.8
119.03495	3.9
123.08142	1.6
125.02454	16.0
125.06088	1.0
127.03996	1.9
131.03505	23.9
134.03656	0.8
135.29369	0.6
136.05289	1.7
137.06067	0.8
138.06850	8.0
139.07642	1.9
143.03493	2.0
149.04556	41.4
150.04764	0.5
151.07640	6.5
152.04854	0.6
152.08441	21.6
153.09207	27.1
159.03004	0.9
161.04575	4.0
163.11304	5.9
165.09158	0.7
167.07208	0.7
173.04565	0.9
187.11255	0.9
189.09189	0.7
190.10028	2.0
191.03987	0.7
191.05605	18.7
191.07359	1.0
192.05807	0.5
193.05095	0.6
205.12320	45.1
206.12611	1.6
223.13516	2.9
227.55864	0.7
233.06653	13.7
233.10239	1.3
241.07202	1.7
251.07745	2.4
293.08780	15.9
345.24350	0.6
349.56671	0.6
365.14252	1.2
385.18707	5.4
403.12015	0.8
517.22876	100.0
518.23114	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	517.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90308	0.6
59.01380	1.0
61.98807	0.7
63.33448	0.6
64.75964	0.5
68.99564	11.9
69.03450	5.3
71.01374	1.8
71.54475	0.7
78.67934	0.5
78.95901	1.0
85.02914	1.0
86.02465	1.5
93.03434	0.8
95.01456	0.7
96.00884	1.5
96.96010	2.4
96.96901	0.6
103.92029	1.8
104.92841	1.7
107.01384	0.8
109.02991	0.8
110.98519	0.9
111.00892	2.1
112.98564	17.0
112.99830	0.9
113.02445	15.9
113.03584	2.9
114.94878	1.6
118.94316	1.0
121.02894	0.8
121.78354	0.6
123.00867	2.6
124.01667	6.3
125.02441	1.9
129.10132	0.7
135.04572	0.8
139.00354	2.5
141.01974	1.0
151.00365	7.7
152.01146	59.7
153.01749	1.1
161.02412	1.1
163.00388	2.1
165.01904	1.4
178.99855	17.5
179.03429	0.8
180.00540	1.1
191.03969	0.6
191.05632	3.6
193.01379	2.3
207.02934	1.6
208.00113	50.2
209.00824	4.9
224.94176	0.7
298.36365	0.6
310.98688	0.9
325.08292	0.8
344.71414	0.6
471.11615	0.7
517.11945	100.0
518.12238	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	517.087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78391	0.5
59.01368	1.7
71.01372	0.6
71.55012	0.6
71.67793	0.4
78.95901	39.6
79.95763	2.9
83.30679	0.4
84.81793	0.4
85.02915	0.6
96.96001	100.0
96.96951	74.5
98.18551	0.4
101.02392	1.2
110.98509	1.0
112.93734	2.1
113.02464	0.8
113.03582	0.5
135.04468	0.8
145.33585	0.5
150.03201	0.6
152.01181	2.1
165.05466	0.7
178.99739	0.6
191.05617	0.7
208.00108	1.0
280.06757	0.5
354.24323	0.5
390.00580	0.5
409.27991	0.5
517.06793	1.9
517.12811	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.9
68.99569	79.3
69.64029	3.3
71.01377	1.0
78.95918	1.2
81.73418	0.5
98.20650	1.3
110.98541	1.0
112.98562	100.0
135.36533	0.5
147.02965	0.8
191.05565	1.3
197.10687	0.7
360.73270	0.6
517.13342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.8
59.01380	15.4
61.98829	0.8
67.01885	1.9
67.27212	0.7
68.79798	0.8
68.99799	3.1
71.01004	0.8
71.01384	10.2
71.54095	1.2
71.80064	0.6
72.99304	0.8
78.95890	2.8
79.94718	0.6
79.95760	3.5
79.96142	0.6
80.96511	4.9
81.25240	0.7
83.01367	1.1
85.02929	3.3
87.00862	1.3
89.02440	11.4
93.03486	1.0
95.01379	1.4
96.96007	12.2
96.96950	2.0
99.00807	0.8
101.02437	16.7
103.92049	0.8
106.76501	0.8
109.02926	2.0
110.97548	2.8
110.98483	0.7
111.77970	0.6
112.47938	0.9
112.93734	70.9
113.02454	5.1
113.03601	0.9
117.00162	1.1
119.03500	4.5
119.05061	0.9
121.02952	1.5
122.99084	0.9
123.04462	1.8
127.04021	4.4
127.36497	0.8
131.03531	0.9
135.04498	1.6
137.02505	0.8
143.03513	0.7
149.02391	0.8
151.02274	0.8
152.01111	1.3
155.03452	1.1
163.03963	1.0
167.01711	1.0
171.01112	0.9
172.96718	1.0
179.03487	3.4
179.05597	1.5
191.03859	1.2
191.05597	6.4
192.06113	0.8
194.34163	0.8
195.06604	0.8
199.04263	1.0
205.05026	1.0
208.00090	1.0
221.05762	1.1
223.06029	2.2
225.02248	1.7
248.29056	0.7
257.04926	3.3
337.00488	3.9
353.08640	0.9
405.08481	2.1
437.11365	6.0
485.04449	1.6
517.06842	100.0
517.13177	3.8
518.07147	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16423	0.4
54.41208	0.3
56.09410	0.3
59.01379	100.0
60.01711	0.3
61.98830	0.4
69.88293	1.7
73.50935	0.3
78.95930	0.3
104.58302	0.3
108.50805	0.3
133.98877	0.3
178.69130	0.3
191.05554	0.6
298.97647	0.4
347.26086	0.5
427.28421	0.6
432.61392	0.4
456.93344	0.3
515.34174	1.2
515.58447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.6
59.01387	1.3
59.02821	0.5
60.58405	0.5
61.98825	1.0
66.95460	0.6
70.02988	0.6
71.01384	6.5
71.05025	7.4
78.40532	0.6
79.95740	5.0
81.03473	0.6
85.02961	1.3
88.04050	6.1
88.04494	0.5
89.02461	0.8
93.03487	1.8
95.95269	1.6
96.96015	17.0
97.03038	0.6
98.69291	0.5
98.95611	0.9
99.04522	4.0
101.02449	1.4
108.02177	31.3
109.02962	11.9
110.97623	1.4
116.07217	1.3
121.02988	1.1
123.04545	1.2
123.97866	0.6
133.03053	0.8
134.03821	0.6
135.04607	2.2
137.02515	0.6
146.08243	15.1
146.09363	1.0
147.06561	0.6
149.06087	0.8
151.04044	1.6
152.01155	42.7
153.01942	15.4
153.03131	1.0
160.01726	1.2
163.03995	2.7
165.01973	1.5
173.04504	0.6
175.04083	1.5
179.03568	0.8
191.05659	3.9
192.05942	0.8
208.27017	0.6
218.10451	1.9
297.06265	2.3
315.07220	3.6
355.10226	0.7
369.08316	5.0
379.17218	0.7
475.49933	0.6
516.17639	100.0
517.18250	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	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
57.03467	0.1
58.00616	0.2
59.01378	4.2
62.02892	0.1
64.73733	0.1
69.03468	0.1
71.01379	3.9
72.99329	0.2
73.02950	0.9
78.95910	0.1
83.01380	0.5
83.05050	0.1
85.02940	0.8
87.00865	0.5
89.02445	3.0
91.04026	0.1
95.01369	0.4
96.56168	0.1
97.02962	0.1
99.00916	0.2
101.02440	4.0
103.03995	0.1
113.02451	1.9
115.04033	0.1
119.03507	0.9
125.02481	0.1
128.89230	0.1
131.03503	0.1
133.05069	0.3
143.03471	0.4
152.99594	0.2
157.05083	0.1
161.04543	1.6
179.05594	0.5
230.21130	0.1
235.08224	1.1
253.09283	14.2
254.09541	0.3
261.22174	0.3
279.23270	100.0
280.23621	4.2
292.46414	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	515.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17918	0.4
70.86804	1.1
106.04254	0.9
107.05029	0.9
157.01770	0.5
163.11284	32.0
164.11520	0.5
175.11284	1.2
176.12067	1.2
177.12782	3.3
190.10020	0.7
201.12866	0.5
208.11026	2.8
229.08257	0.4
235.44798	0.4
241.75099	0.3
263.30405	0.5
281.15411	2.0
282.16220	4.6
283.17035	5.5
286.08298	0.4
293.15417	1.8
294.16348	0.5
295.17212	0.6
297.14957	0.4
339.23251	100.0
340.23575	4.7
349.21530	0.8
351.23376	8.0
511.88452	0.5
515.35291	83.1
516.35571	6.8
516.42651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
57.03447	0.2
58.00610	0.2
59.01374	3.9
61.98846	0.1
62.52967	0.1
71.01376	3.4
71.55093	0.1
72.99333	0.2
73.02943	0.7
75.00896	0.2
83.00986	0.1
83.01363	0.4
85.02945	0.9
87.00877	0.5
88.82041	0.1
89.02442	2.7
91.04018	0.2
95.01422	0.3
96.96048	0.4
97.02989	0.1
99.00913	0.3
101.02441	3.8
104.29369	0.1
113.02443	1.6
119.03495	0.8
125.02489	0.2
131.03586	0.1
133.05080	0.4
143.03535	0.3
148.60052	0.1
157.05045	0.1
161.04538	1.3
176.44739	0.1
179.05556	0.4
235.08199	0.9
253.09273	14.5
254.09680	0.2
261.22247	0.3
273.12811	0.1
279.23264	100.0
280.23605	3.6
515.34155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3016
Annotation	8beta,9alpha-Dihydroganoderic acid J
Peak:m/z	Relative Intensity
57.03436	4.3
58.00600	1.0
59.01369	2.8
59.27881	0.9
60.99290	1.9
61.98811	1.8
62.07370	0.9
71.01379	1.7
71.55454	1.5
73.02951	3.6
83.04991	2.0
87.00881	100.0
114.75909	1.1
114.89732	0.9
121.57334	1.0
130.71536	1.0
237.57454	1.0
260.98489	1.0
379.26144	1.7
381.27972	1.7
397.27414	1.2
409.31143	2.6
421.27603	3.1
439.28452	2.8
441.26480	28.2
443.27933	22.1
444.28214	1.8
453.30164	3.3
471.31180	53.7
472.31424	3.5
487.30890	1.4
497.29062	16.7
511.63647	1.2
515.30115	81.8
516.30487	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	515.3032
Annotation	Adynerin
Peak:m/z	Relative Intensity
57.03440	0.8
58.00584	0.9
59.01107	0.5
59.01382	5.9
60.99299	0.4
67.01893	0.7
69.03451	0.7
71.01382	1.4
71.05019	0.6
72.99310	0.4
73.02951	2.8
75.00874	6.0
78.82453	0.3
83.05030	7.2
85.02942	1.5
85.06584	0.5
87.00887	1.4
93.03460	4.5
96.96015	1.2
99.04491	0.4
101.02444	0.9
109.06599	1.8
111.00892	4.2
111.04523	1.1
112.01212	0.8
128.73997	0.3
148.92612	0.3
169.12331	0.4
173.00839	0.4
173.04546	3.0
183.00403	0.3
191.05615	17.0
199.07645	0.7
209.11880	0.4
210.55724	0.3
293.21204	0.5
311.22504	0.4
345.20636	0.4
353.24786	0.3
379.26233	0.5
387.25409	1.7
391.30176	4.0
393.28030	1.2
395.29510	5.5
407.29648	1.3
409.26483	0.4
409.31152	1.2
423.28949	1.1
425.30786	2.4
435.29114	2.0
439.22836	0.3
453.30161	7.2
455.27448	0.6
471.31192	11.9
472.31491	0.9
473.27512	0.4
487.30716	0.3
497.28683	1.5
515.30115	100.0
516.30511	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	515.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96689	0.7
59.01381	4.8
61.98823	2.3
69.29357	0.7
69.58487	4.9
71.01383	4.5
72.99286	0.7
73.02930	0.8
78.95892	2.0
79.95734	17.7
80.96494	0.8
82.95408	1.9
85.02956	2.8
87.00861	1.4
89.02437	5.8
90.71842	0.7
93.03459	2.9
95.95238	6.1
96.96006	100.0
98.80189	0.6
99.00879	1.9
101.02425	3.0
109.02938	1.3
110.97557	5.2
111.00902	1.3
113.02444	1.2
115.89341	0.7
125.02428	1.3
127.03979	0.7
131.03523	1.1
133.03026	1.1
134.25662	0.6
135.04538	2.3
137.02379	1.1
138.03218	1.1
149.04562	4.1
161.02432	9.3
167.00211	2.0
173.04536	2.4
179.03473	2.0
191.05603	24.5
198.30034	0.8
289.03915	1.3
311.09842	0.9
323.07657	6.3
345.14243	1.3
353.08795	1.4
405.11716	1.3
471.15552	1.0
479.21301	14.4
485.07605	3.9
500.10083	2.5
515.12518	70.6
515.19165	18.8
516.12958	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95037	0.7
57.03445	4.2
59.01112	0.7
59.01385	10.2
60.99297	0.7
67.01883	1.7
71.01392	6.8
71.53474	0.7
72.99303	2.0
78.95918	7.1
79.03063	0.7
85.02936	6.2
87.00850	3.2
89.02459	6.1
93.03459	15.1
96.96938	1.5
99.00890	1.6
99.04516	4.2
101.02457	4.7
110.98526	6.2
111.00859	1.0
111.04513	3.8
112.98804	2.2
113.02460	3.5
115.00346	0.7
119.03490	2.4
121.06698	0.7
127.04006	1.7
128.07195	0.7
133.01419	1.1
133.02934	2.0
135.04532	24.6
137.02417	2.2
142.99809	2.2
155.03476	2.2
160.01688	1.5
161.02440	16.5
161.04514	7.5
173.00922	1.7
173.04546	20.0
174.07718	1.4
175.06187	0.7
179.03482	18.8
179.05582	3.3
191.05611	100.0
192.05930	1.8
195.26224	0.8
197.04558	0.9
215.32747	0.7
323.07660	11.9
341.11432	14.0
353.08731	15.3
371.09793	4.5
467.59198	0.7
515.14111	34.2
516.14276	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	515.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96412	0.5
57.03442	0.9
57.37775	0.5
59.01365	1.7
59.06074	0.5
60.99301	1.0
64.46803	0.5
67.01877	2.4
69.03461	0.8
70.54601	0.7
70.54955	1.5
71.01377	2.2
73.02944	1.0
78.95912	1.3
79.95742	8.2
82.95435	0.7
85.02956	5.6
87.00884	4.2
89.02441	0.8
93.03465	16.5
95.95247	2.7
96.40743	0.5
96.96020	36.3
99.04512	1.0
101.02449	0.6
109.02940	0.9
110.97567	1.6
110.98399	0.6
111.04533	2.4
120.03857	0.5
127.04046	1.6
133.02966	1.9
134.03801	0.6
135.04539	18.9
137.02426	0.8
155.57240	0.6
161.02440	10.5
161.04527	0.8
167.00233	0.6
173.04599	3.9
179.03503	13.4
181.05196	0.6
191.05620	100.0
192.06001	1.7
202.33340	0.6
233.06715	0.8
323.07883	1.1
353.08759	10.1
395.09970	3.1
405.11313	0.7
479.21304	1.3
485.07681	1.8
500.09491	0.8
515.13593	78.3
516.14105	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	515.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92318	0.5
59.01386	1.2
62.81684	0.4
66.48801	0.4
67.01888	0.6
67.34747	0.4
68.96416	0.4
69.42759	3.4
70.75576	0.4
71.01377	1.1
73.02921	0.8
74.24171	0.4
78.95890	2.3
81.03462	0.4
83.01412	0.5
85.02951	7.9
87.00886	2.7
93.03471	5.7
96.96008	1.7
97.02926	0.5
98.20647	0.9
109.02988	0.6
110.98516	1.6
111.04520	1.5
117.03475	0.9
127.03997	2.1
132.02174	0.8
133.02957	6.4
135.04521	7.7
135.05502	0.5
155.03481	0.6
160.01653	2.9
161.02451	43.9
162.02774	0.6
171.02972	0.9
173.04565	3.5
179.03490	6.1
185.54652	0.5
191.05614	100.0
192.05952	2.0
280.33334	0.5
314.36942	0.4
323.07703	42.7
324.08081	1.7
341.08658	3.4
353.08441	3.0
444.36414	0.4
468.97604	0.4
515.14032	38.4
516.14484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
57.87530	0.6
59.01374	2.2
60.99316	0.6
67.01898	4.7
69.03461	1.4
71.01388	3.4
71.32558	0.8
79.95764	1.4
81.03465	0.9
85.02946	3.4
86.67476	0.6
87.00892	1.5
93.03461	25.9
96.96010	7.3
101.02457	1.4
107.05062	1.3
109.02972	1.2
110.97601	0.9
111.00880	1.1
111.04528	5.0
113.02496	0.9
114.17522	0.6
127.04034	1.0
133.02956	1.6
134.03769	1.9
135.04529	77.4
136.04842	1.4
137.02431	5.1
155.03511	3.8
155.04578	0.7
161.02438	6.8
173.04546	56.2
174.04756	0.8
178.02763	0.6
179.03499	100.0
180.03879	1.4
191.05608	26.5
198.64963	0.7
323.07782	2.4
335.07764	1.0
341.08759	50.9
342.09262	1.7
353.08759	7.3
371.09625	0.9
395.09964	0.7
412.42004	0.8
425.64771	0.6
429.14307	0.7
515.14008	58.2
516.14429	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47212	0.5
59.01376	3.7
61.98822	1.0
69.17001	0.7
69.17408	4.7
71.01380	2.6
73.02966	1.0
78.99716	0.4
79.95743	12.6
81.03445	0.9
85.02956	11.0
87.00906	2.9
89.02448	1.0
93.03468	5.9
95.95233	4.7
96.96017	48.0
98.19834	1.1
99.04524	0.5
100.25584	0.5
101.02433	0.7
109.02966	1.4
110.97592	2.7
111.04523	1.2
113.02464	0.7
117.03484	1.3
127.04037	2.2
132.02174	1.5
133.02942	7.2
135.04532	5.2
138.13576	0.5
141.95790	0.8
153.01973	0.5
155.03467	0.7
156.45515	0.5
160.01660	2.8
161.02457	54.1
162.02808	0.7
167.00215	1.0
171.02975	0.5
173.04536	3.0
175.03932	0.7
176.79408	0.5
177.01978	0.9
177.66786	0.5
179.03481	3.6
191.05618	100.0
192.05997	1.2
236.11993	0.5
273.97031	0.5
279.09903	0.5
293.08875	1.1
315.57376	0.6
323.07730	38.3
324.07990	0.9
341.08752	1.8
353.08752	3.4
429.14148	0.6
485.07593	2.3
488.92157	0.6
500.09885	1.6
515.13202	75.7
516.13550	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.0
60.99305	0.4
61.78401	0.3
67.01879	1.4
69.03440	0.4
69.45161	1.5
69.45567	0.7
71.01392	0.8
73.02941	0.4
78.95901	9.0
79.95731	0.5
81.03484	0.4
83.05027	0.5
85.02946	4.6
87.00879	2.8
89.43235	0.3
89.70958	0.3
93.02863	0.6
93.03454	11.6
96.96003	2.9
98.19829	0.6
98.31731	0.3
99.00864	0.7
99.04487	0.3
109.02943	0.7
110.98528	8.0
111.04509	2.0
127.04002	1.5
129.01926	0.4
133.02924	0.8
134.03691	0.3
135.03493	0.7
135.04520	13.7
137.02518	0.4
161.02441	5.9
173.04533	4.0
174.51270	0.4
179.03491	11.8
191.05602	100.0
192.05942	1.7
193.69380	0.3
316.13660	0.3
323.07593	1.9
341.08594	2.3
353.08746	16.8
354.09042	0.4
508.07434	0.3
515.14050	28.6
516.14246	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34068	1.2
57.03443	1.5
58.00608	1.7
59.01382	45.1
71.01382	39.2
72.99319	2.7
73.02961	3.7
75.00880	3.1
78.95907	66.6
83.01408	2.5
83.05025	1.4
85.02964	6.3
87.00874	2.5
89.02446	38.0
93.03477	6.2
96.96019	1.9
96.96967	2.4
99.00877	4.8
101.02450	18.3
110.89936	2.2
110.98537	56.2
111.00858	4.3
111.04495	2.2
112.98815	15.4
113.02449	13.5
115.00362	1.9
119.03485	17.0
129.01930	3.7
131.03470	2.8
137.02478	1.7
142.99843	11.8
143.03540	4.6
145.01410	2.7
149.04550	2.6
161.02466	2.2
161.04546	4.6
172.89963	2.2
173.00925	8.4
173.04558	10.9
179.03571	3.4
179.05603	21.9
190.61873	1.5
191.05670	7.8
323.07819	1.8
341.10883	100.0
342.11148	2.5
515.14703	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	515.1227
Annotation	Dexamethasone sodium phosphate
Peak:m/z	Relative Intensity
59.01349	0.4
59.69186	0.4
61.98822	1.6
66.54143	0.4
71.00800	0.8
71.01408	0.4
79.95738	23.3
80.96517	0.6
93.03452	0.4
95.95237	10.6
96.96011	100.0
99.68224	0.4
101.02437	0.5
109.02978	1.0
110.97582	5.8
112.90073	0.4
115.85539	0.4
125.02433	0.7
136.99101	0.6
137.02473	0.7
138.03319	0.6
139.04024	0.5
141.95732	0.6
165.01918	0.4
167.00174	3.0
177.01906	0.7
181.05098	0.5
191.05586	1.2
193.04881	0.5
204.86316	0.4
207.06487	0.5
213.93443	0.4
217.00835	0.4
224.97423	0.4
287.02457	0.8
289.03851	1.2
375.10870	0.9
405.12027	1.1
485.07590	5.4
500.09955	3.1
515.12262	98.4
516.12640	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	515.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.2
58.00627	0.1
59.01385	5.2
59.01688	0.3
61.98840	0.7
66.55276	0.1
66.68833	0.1
67.01898	0.2
71.01395	0.9
71.56437	0.1
72.99339	0.1
73.02930	0.6
75.00902	0.4
77.03974	0.2
79.64632	0.1
79.95756	0.4
80.96534	0.2
81.03472	0.5
85.02950	0.8
87.00895	0.2
89.02479	0.3
89.03971	2.1
93.03485	0.5
95.05053	0.2
96.96016	5.2
98.95605	0.4
99.00912	0.2
99.04520	0.2
101.02471	0.6
103.00410	0.4
104.02698	0.4
105.03468	3.3
107.01409	0.2
109.06596	0.1
111.00903	0.8
113.02479	0.3
117.03500	0.2
121.02944	0.3
133.02971	9.2
134.03767	2.4
135.04553	0.3
137.02504	0.1
148.01680	0.4
149.02446	1.2
149.06114	0.1
152.98647	0.1
160.01620	0.4
161.02434	0.5
161.04581	0.2
164.98669	0.4
173.04559	0.4
175.03979	0.3
176.01167	1.0
177.01938	100.0
178.02304	1.7
179.03468	0.3
189.88467	0.1
191.05611	2.1
193.05060	1.5
207.10245	0.4
225.11331	0.4
241.00320	0.3
245.30571	0.2
271.61502	0.1
321.50854	0.1
337.09515	0.1
339.07190	4.2
344.47186	0.1
353.08716	0.3
404.21548	0.6
429.14359	3.1
461.20285	0.6
471.15430	2.1
471.21887	0.3
515.11993	10.8
515.21033	0.4
516.12451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
69.03500	0.4
69.65493	2.0
69.65914	0.5
71.01374	0.7
78.95908	100.0
85.02932	0.7
87.00802	0.4
93.03455	1.2
96.96012	1.7
99.05123	0.4
101.02457	0.5
101.34299	0.4
105.18600	0.4
105.44822	0.4
110.98537	90.0
112.98771	0.3
113.02504	0.4
135.04488	2.2
144.53043	0.4
161.02423	1.7
173.00835	0.4
173.04515	1.3
179.03470	2.5
179.05591	0.7
191.05611	7.6
193.42340	0.4
196.05281	0.4
200.32390	0.4
217.84528	0.4
323.07712	1.6
341.10764	1.8
353.08820	1.1
515.13983	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	514.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13591	0.1
54.27761	0.1
57.43582	0.1
59.01387	0.3
61.98830	100.0
69.30073	0.4
69.30484	0.3
71.01400	0.1
72.11257	0.1
79.95721	0.1
85.02976	0.1
87.00940	0.1
93.03487	0.2
96.96006	0.4
98.19918	0.1
117.03691	0.1
135.04541	0.2
161.02486	0.2
165.72446	0.1
173.04564	0.1
179.03545	0.3
191.05591	0.8
192.06039	0.1
195.62247	0.1
256.99576	0.1
292.82941	0.1
351.79669	0.1
353.08804	0.2
370.62497	0.1
386.73727	0.1
453.33939	0.1
454.17892	0.1
454.23965	0.2
454.34042	0.3
502.19278	0.1
514.11676	0.2
514.20355	0.3
514.32422	0.5
515.12201	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	513.3585
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
59.01381	8.5
70.82256	0.4
71.05027	2.3
135.26195	0.2
235.63974	0.2
272.08777	0.2
393.31604	0.4
453.33804	2.0
469.37036	0.7
481.32990	0.3
483.34589	0.6
495.34808	12.4
496.35193	1.0
513.35834	100.0
514.36206	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	514.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24066	0.2
54.80239	0.2
57.03471	0.5
59.01379	1.0
61.98831	100.0
71.01402	0.9
79.95742	0.9
83.01386	0.4
85.02969	0.9
87.00882	0.5
93.03474	0.7
95.01400	0.2
95.95229	0.5
96.96012	6.0
98.19853	0.5
99.00880	0.3
99.04549	0.4
101.02493	0.6
111.00872	0.3
113.02468	0.6
123.04521	0.5
127.87171	0.2
128.00801	0.2
129.01958	0.5
133.41391	0.2
135.04568	0.3
138.64499	0.2
149.06219	0.2
150.33176	0.2
157.92633	0.2
161.02428	0.2
161.04608	0.4
165.05600	0.2
173.04579	0.4
181.05075	0.3
191.05606	2.6
192.06044	0.2
240.08211	0.4
249.06244	0.4
256.99738	0.5
267.07181	1.2
304.63220	0.2
463.16739	0.4
514.20673	1.8
515.12311	1.8
515.18738	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01381	2.4
60.99313	0.3
61.98825	1.3
69.24258	1.4
69.24686	1.6
71.01373	3.3
71.72562	0.3
72.99314	0.4
73.02927	0.6
75.00870	1.0
78.95908	0.6
79.95720	5.1
80.96501	3.1
83.01377	0.4
85.02943	4.1
87.00890	0.6
88.98816	1.9
89.02445	1.2
93.03446	0.8
94.98082	0.5
95.01357	0.5
95.95238	1.3
96.96006	86.5
97.02941	0.7
98.19877	0.6
99.00875	1.4
101.02450	1.2
109.03007	0.4
110.97567	2.3
111.00874	1.1
113.02452	0.6
113.40771	0.3
115.03989	1.0
122.97540	0.4
124.04875	0.4
129.01936	2.4
137.02460	0.4
138.97075	1.3
139.00368	1.1
145.03006	0.4
150.97105	0.6
152.98575	1.1
152.99608	1.0
159.02979	0.3
161.04526	0.3
163.03957	0.5
164.98651	0.9
168.98135	1.3
173.04524	1.2
176.98543	0.5
177.04062	5.5
179.85184	0.4
180.98135	0.8
191.05586	5.6
191.07159	0.5
192.05988	1.1
193.06183	0.5
194.99629	1.3
197.11844	1.5
198.99106	0.4
203.03360	0.4
213.00749	0.7
220.35878	0.3
225.00764	0.7
241.00172	3.6
251.32925	0.4
256.99704	33.4
258.00073	0.6
263.13275	0.4
339.05133	0.5
358.10559	1.6
370.10794	0.4
373.12885	4.3
403.10040	0.5
418.12674	1.0
423.52722	0.4
427.12778	0.7
433.15048	2.4
450.09784	0.5
481.17212	0.5
513.10944	10.9
513.20074	100.0
514.11786	0.6
514.20502	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	513.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47871	0.2
54.95541	0.2
57.03439	0.6
57.51572	0.2
59.01384	0.9
61.98830	2.2
70.92578	0.2
71.01380	0.5
71.48024	0.2
73.02934	0.3
78.95908	2.6
79.95731	3.0
83.01398	1.0
85.02959	0.4
87.00883	0.4
93.03452	1.3
96.96010	100.0
96.96898	4.5
97.95934	0.2
99.00890	0.2
99.04506	0.4
101.02447	1.4
108.50571	0.2
111.04482	0.2
123.04552	0.2
127.00333	0.3
161.02496	0.9
161.04543	0.6
162.04837	0.2
173.04500	0.6
177.04196	0.2
179.10768	0.6
191.05621	2.9
192.05975	0.4
193.05013	0.3
205.12334	0.7
240.08286	0.3
256.99768	0.9
279.03012	0.3
295.06204	0.2
321.04111	0.8
339.04916	0.5
369.10669	0.3
439.28836	0.2
443.11050	0.2
513.10645	1.5
513.19934	7.6
514.20923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
58.17472	0.4
59.01380	2.1
61.16700	0.4
61.98835	2.9
66.22549	0.4
67.01890	0.7
69.24727	1.0
69.25149	2.1
71.01385	1.2
72.99313	0.4
73.02958	0.3
77.08372	0.4
85.02952	6.9
87.00863	1.7
89.02419	0.9
93.03457	3.7
96.95998	1.2
99.00956	0.4
99.04521	0.7
101.02419	0.7
109.02945	0.8
111.04510	1.0
120.99657	0.6
127.04031	1.7
133.02956	1.1
134.03500	0.4
135.04526	0.4
149.04553	0.7
149.75175	0.4
155.03445	0.4
159.04475	0.4
159.81120	0.4
161.02443	1.2
161.04631	0.6
166.34782	0.4
172.05307	1.3
173.04527	2.8
177.01889	0.9
183.61316	0.3
187.07645	8.0
191.05606	100.0
192.05959	1.9
199.03975	0.4
213.09212	1.1
215.07098	1.5
227.03461	1.5
228.04195	0.8
229.08656	0.5
231.10336	0.8
248.09705	0.3
249.07733	0.6
257.08185	13.7
258.08521	0.8
275.09293	1.7
339.04919	0.9
368.10599	0.6
409.82788	0.5
449.14569	7.0
451.32928	0.5
512.19421	0.9
513.10358	1.0
513.20129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
57.03449	6.4
58.00589	2.1
58.22875	1.0
59.01383	56.8
61.98819	4.1
67.01871	1.2
69.20825	0.9
71.01383	35.8
72.99300	2.2
73.02950	9.9
79.95731	1.1
82.82594	0.9
83.01384	2.0
85.02954	12.2
87.00867	3.6
87.04523	1.2
89.01932	2.0
89.02450	31.8
91.41523	0.9
93.03464	8.1
95.01385	3.3
96.96016	13.7
98.20692	1.5
99.00889	3.3
99.04548	8.5
101.02453	26.2
104.98994	0.9
109.02983	1.2
111.04522	1.3
113.02451	11.6
119.03516	9.8
120.99651	1.0
123.04494	0.9
125.02425	1.3
131.03523	2.4
134.03741	7.5
137.02425	2.6
140.20468	1.1
143.03529	2.3
149.04539	4.9
149.05975	1.2
153.79779	1.0
155.03471	1.0
160.01610	1.0
161.04568	17.3
167.03488	1.0
173.04546	8.6
175.03947	1.7
179.05637	5.3
191.05615	27.2
192.06049	1.2
193.05028	9.4
233.04543	1.3
233.06619	1.3
241.00215	1.7
289.20190	7.8
349.09055	1.2
354.44565	1.0
367.10330	12.7
425.07187	1.3
451.25677	100.0
452.26074	5.5
473.16266	1.4
475.18146	1.1
480.18063	1.4
511.17688	6.8
511.25122	5.2
512.19623	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	511.2913
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
58.41124	0.2
59.01375	0.5
60.39494	0.3
61.98826	1.8
69.17374	2.3
71.01411	0.2
71.05017	0.3
80.02671	1.4
80.31033	0.2
81.03465	1.5
83.01382	0.4
83.05029	4.9
84.02169	1.0
93.03455	1.0
95.05025	0.8
96.96015	0.3
97.06596	0.5
98.19925	0.5
109.06574	0.4
123.08221	0.5
125.06107	0.6
125.09725	1.8
127.11311	0.4
135.08188	1.3
137.09595	0.2
147.11810	0.4
149.09705	0.8
161.02457	0.3
163.11276	4.2
165.12831	2.4
171.10277	18.6
172.10625	0.3
181.12347	0.7
185.11885	0.9
191.05609	0.4
191.10831	1.3
199.09721	0.3
203.10529	0.2
203.14470	0.7
205.12312	0.4
207.10274	0.3
209.11833	100.0
210.12196	2.1
219.13885	0.5
221.11862	0.9
223.13428	1.0
225.11340	0.3
227.12891	8.4
227.15138	0.4
229.12473	0.4
231.13896	0.3
237.14983	0.4
247.13396	5.9
265.14441	1.8
290.10886	0.2
311.22549	0.4
321.16830	0.3
331.22784	0.5
339.18539	0.3
357.20621	0.5
373.23825	0.3
375.21707	0.9
375.25555	0.9
383.22031	0.3
391.25079	0.3
401.23343	0.6
419.24496	0.8
431.24179	0.5
437.24643	0.2
449.25333	1.6
457.26132	0.3
475.26804	2.2
493.28192	1.7
511.29456	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	511.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	15.2
59.01384	9.5
60.99291	0.9
61.98827	1.2
67.01888	2.4
69.03449	0.9
69.41814	4.1
71.01382	3.4
78.91882	2.3
79.26345	0.5
81.03439	0.8
85.02956	4.5
87.00874	3.0
89.02452	2.0
93.03463	18.7
96.96024	3.2
99.00849	0.7
99.04524	20.9
101.02446	8.5
107.67336	0.5
109.02988	0.8
111.04529	4.6
116.92851	1.3
120.33119	0.5
127.04017	1.1
129.02063	0.6
134.03748	7.2
137.02428	2.5
141.42207	0.6
143.03410	0.6
149.04562	1.6
149.06013	0.8
155.03508	2.2
160.01653	0.9
161.04564	31.3
169.71802	0.6
173.04538	15.4
175.04051	1.6
191.05617	100.0
192.05959	1.7
193.05052	8.7
233.06674	4.4
268.70737	0.6
319.02655	1.0
335.09805	1.9
337.03491	0.7
349.09348	2.4
367.10318	41.9
379.00180	0.5
388.63397	0.5
409.11246	1.3
425.11221	0.8
451.21909	1.9
505.77887	0.5
511.09360	1.0
511.18442	2.6
511.25635	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	511.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36508	0.3
57.03444	1.8
59.01377	3.5
61.62904	0.3
61.98829	1.7
63.35652	0.4
67.30820	0.3
69.47874	0.3
69.48024	0.7
69.48438	1.7
71.01393	3.1
71.72626	0.3
73.02961	0.5
79.95738	4.3
80.96532	1.1
83.01381	0.7
83.17473	0.3
85.02944	2.4
85.74831	0.3
87.00876	0.8
88.86088	0.3
89.02466	1.6
93.03454	2.5
95.95251	0.6
96.96016	56.8
98.19868	0.5
98.95608	0.6
99.00899	0.5
99.04513	2.7
101.02432	3.1
108.02174	0.4
109.02959	0.8
111.04514	0.9
113.02455	0.9
116.83519	0.3
119.03478	0.6
122.97600	0.7
125.02457	0.7
129.01930	0.4
134.03741	1.8
137.02499	2.2
138.97031	0.5
143.03566	0.7
150.97057	1.0
152.01135	0.5
152.98598	0.7
153.01985	0.7
155.03473	0.6
161.04585	5.0
173.04587	2.5
179.03590	0.5
179.05565	0.5
180.98155	1.4
182.99887	0.3
184.47290	0.3
185.54257	0.4
191.05621	11.2
193.05014	2.7
198.72729	0.4
211.06250	0.4
224.14128	0.4
239.05733	0.4
241.00240	4.0
256.99680	3.2
319.02472	0.4
337.03375	0.4
349.09738	0.5
349.18741	0.6
367.10425	4.0
451.21927	0.5
475.18283	0.9
493.18643	0.8
511.18585	100.0
512.19025	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29043	0.8
57.03423	1.1
59.01386	1.8
61.98832	72.9
70.11871	2.9
74.21478	0.8
80.96548	0.9
83.01433	0.9
85.02942	1.3
87.81261	0.8
93.03412	1.4
96.96024	9.5
101.02439	1.0
133.02914	1.8
134.03842	0.9
135.04579	1.0
151.00429	0.8
161.02403	3.3
161.04570	1.3
173.04555	2.0
176.54982	0.8
191.05603	13.1
209.11897	4.3
210.12115	1.1
215.56616	0.8
227.03493	30.6
229.05026	1.9
241.00340	1.4
255.02979	45.1
256.03674	4.1
257.04385	0.8
284.03262	51.8
285.04016	17.5
351.81342	0.9
367.10239	2.3
387.13983	1.0
395.34351	1.0
447.09329	100.0
448.09598	4.5
510.16992	6.2
511.18451	2.2
511.25583	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.5
61.98832	100.0
70.74702	0.6
71.01405	0.6
73.02966	0.3
85.02963	0.4
89.02468	0.2
93.03468	0.3
96.96014	0.5
100.23287	0.2
101.02454	0.3
101.08961	0.2
111.00864	0.4
116.03106	0.2
118.83113	0.2
135.04597	0.4
136.99913	0.2
161.02513	0.3
173.04601	0.5
179.03613	0.2
191.05612	1.4
231.81175	0.3
310.29770	0.2
450.23148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77349	0.4
61.98829	100.0
66.79086	0.4
70.44452	1.3
73.29200	0.5
90.46918	0.5
98.19981	0.5
133.54700	0.4
150.07512	0.5
166.84950	0.5
279.61447	0.4
339.86722	0.5
385.33621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	34.4
59.01382	17.8
61.98822	3.5
67.01896	1.3
69.30364	4.0
69.30765	2.2
71.01395	4.3
73.02949	1.5
79.95731	0.9
81.03452	1.7
83.05010	1.9
85.02966	5.0
86.68844	0.7
87.00883	3.5
89.02451	2.3
93.03465	14.9
94.98061	1.4
96.96021	9.8
99.00880	0.8
99.04527	52.7
101.02454	18.3
109.02947	1.3
111.04519	6.9
113.02451	1.5
117.03459	2.9
125.02401	2.0
127.04002	2.3
134.03754	38.5
137.02457	6.1
143.03500	1.1
143.13777	0.7
149.06053	3.5
155.03503	12.1
160.01646	3.1
161.04568	100.0
162.04938	1.3
173.04555	29.4
173.06047	1.6
175.04005	4.1
191.05617	59.7
193.05060	55.3
194.05328	0.8
215.05721	1.8
233.06691	2.2
241.52325	0.7
273.09741	0.8
288.10858	0.8
333.33487	0.8
335.09863	2.6
347.17194	2.7
349.09204	9.6
367.10342	43.8
409.11221	3.5
449.14740	1.3
451.25531	2.6
511.14752	5.9
511.19308	2.9
523.24054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2882
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
54.93733	0.3
56.32362	0.3
61.98827	0.7
69.50934	2.3
78.40060	0.3
78.95901	18.0
96.96958	1.5
98.20707	0.5
109.55611	0.3
135.11713	0.4
152.99582	28.8
171.00563	1.1
227.03256	4.2
227.98331	0.4
245.04298	0.8
258.94662	0.3
267.65448	0.3
281.24835	100.0
282.25189	3.7
417.23993	0.8
471.85269	0.3
509.28806	58.9
510.29196	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77245	1.2
58.09069	1.0
59.01371	2.0
59.16429	1.1
61.98825	2.3
69.58955	7.1
78.00929	1.1
209.11818	2.3
231.39957	1.3
262.16037	1.3
435.16971	1.5
473.32684	100.0
474.32968	6.0
509.28946	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
61.98832	100.0
69.69571	0.8
71.56036	1.0
72.95501	0.8
75.00880	0.8
85.02966	2.0
87.00881	1.1
89.02407	0.9
92.32799	0.8
93.03476	2.0
96.96007	7.9
101.02480	1.2
107.01354	0.9
113.02483	1.4
116.92858	3.1
117.92876	2.1
122.22053	0.8
123.81381	0.8
124.52406	0.9
137.02475	0.8
145.02698	0.8
149.04602	0.9
151.00423	0.9
166.51459	0.9
174.03192	1.0
188.05055	0.9
191.05618	4.0
209.11864	1.7
210.12099	1.1
227.03493	29.2
227.05701	1.5
228.03856	1.5
241.00229	2.1
255.03001	40.2
256.03732	5.4
273.51480	1.0
284.03256	57.9
285.03949	13.2
327.05078	1.4
406.74106	0.9
447.09311	99.8
448.09628	5.5
477.19986	1.0
478.20044	2.7
509.23010	1.4
510.16644	4.7
510.23300	2.3
511.18677	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	509.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64664	2.0
59.01392	2.2
61.98832	62.5
70.54391	2.1
96.95972	2.3
97.06545	2.5
101.02407	2.1
108.08203	2.3
109.06593	3.3
111.00865	2.6
111.08154	3.7
137.09679	2.2
163.11255	2.1
168.80386	2.1
171.10188	2.9
181.07159	3.6
197.11864	20.5
207.10249	2.6
209.11804	10.1
209.62633	2.3
211.13394	2.5
225.11226	3.5
291.19638	4.1
309.20703	100.0
310.20905	2.7
338.58191	2.2
372.65234	2.1
452.95068	2.1
473.27350	5.2
491.25586	2.2
509.25220	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52072	0.5
57.03453	1.3
59.01375	4.3
65.03988	0.9
66.86292	0.6
71.01376	2.1
75.00901	0.8
78.95909	2.6
80.02676	2.1
81.03461	3.8
83.05026	8.5
84.02168	1.5
85.02940	0.8
93.03461	2.7
95.01411	0.6
95.05041	1.1
97.02948	4.5
97.06578	1.9
107.05032	1.5
108.98835	0.6
109.02939	0.6
109.06593	19.0
110.03744	1.6
110.72677	0.5
110.98518	2.0
111.04519	4.6
111.08142	0.7
121.06598	2.0
123.08144	2.5
125.06116	0.9
125.09732	4.8
127.11339	1.0
129.33527	0.6
135.08168	3.4
136.05276	0.9
142.02713	1.2
147.11801	0.9
149.09697	1.0
161.09738	1.8
163.11298	16.2
164.11581	0.6
165.09244	1.1
165.12915	2.9
165.70103	0.6
167.01140	0.9
171.10266	18.7
179.10765	1.1
181.12315	4.2
185.02153	1.2
185.11835	7.6
187.09721	0.6
189.09140	1.4
191.10777	1.5
199.09700	3.2
201.11311	2.5
203.10837	0.6
207.10258	41.0
208.10767	0.6
209.11827	100.0
210.12196	2.1
217.12315	1.5
219.10271	0.8
219.13799	1.0
221.11797	2.0
223.13484	2.1
225.11340	21.1
227.12881	13.1
229.12299	0.8
230.88080	0.7
231.10339	2.7
235.13423	1.5
245.11888	1.6
247.13469	2.4
249.11359	2.9
263.12851	3.2
265.14377	0.7
281.13983	4.4
299.14920	6.6
305.13937	1.7
311.15103	0.9
319.15604	1.7
323.15128	1.1
330.85220	0.6
337.16574	1.8
349.89624	0.6
355.18646	0.6
355.22723	0.9
373.19910	1.1
373.24005	2.6
389.23343	0.8
399.21912	4.0
417.22885	1.2
435.24005	1.0
447.23792	2.6
455.24826	0.9
465.24615	3.8
473.25482	15.8
474.25720	0.8
491.26547	14.0
509.27573	27.9
526.67267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1298
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
52.38144	0.6
59.01379	6.6
60.14346	0.6
61.98817	1.6
65.35236	0.5
66.88834	0.5
67.01874	0.8
69.03451	2.3
70.82769	1.2
71.01379	4.8
73.02944	1.4
77.01130	0.6
78.46332	0.7
81.03459	3.4
83.01389	0.9
85.02955	5.2
87.00861	2.0
89.02419	2.4
93.03461	9.9
95.01382	1.4
95.05009	1.0
96.96019	4.7
97.02904	0.8
99.00864	0.8
99.04538	1.0
101.02431	2.4
107.05015	1.8
108.02175	38.7
109.02959	26.0
109.06594	0.9
111.04511	0.9
112.69981	0.5
113.02446	2.4
119.04994	1.4
121.02951	4.0
121.06612	1.4
123.00919	1.2
123.04549	2.8
125.02434	0.9
129.03445	0.9
131.05035	0.7
133.02913	0.7
135.04539	4.0
136.01662	1.5
137.02440	8.0
137.06064	1.5
139.04039	1.4
147.04497	3.1
148.03996	0.7
149.04465	1.1
149.06052	1.3
151.04010	2.0
152.01152	38.3
153.01935	24.9
155.03622	0.8
161.02391	0.9
161.04538	0.7
162.33812	0.5
163.03998	2.1
165.05551	3.5
173.04529	4.3
175.03923	2.2
179.03488	4.5
183.06648	0.7
191.05606	12.0
193.04976	3.3
195.02942	4.6
209.04530	1.9
211.06046	2.5
227.05530	0.9
239.05560	3.5
255.05116	3.6
281.06604	1.6
284.09863	0.6
297.06119	3.4
315.07095	4.5
319.13922	0.8
335.07666	0.7
426.54608	0.7
445.11075	1.4
449.24554	0.9
465.13690	2.9
473.10831	1.9
491.10916	1.0
509.12881	100.0
510.13214	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	508.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99845	0.4
56.83586	0.7
61.98832	100.0
62.86207	0.5
71.54810	0.6
71.68446	0.6
78.95905	3.5
80.41912	0.5
99.82054	0.5
117.25665	0.5
152.99611	2.4
167.46011	0.5
182.67082	0.5
224.06937	0.7
281.24850	10.3
283.26422	13.2
291.37350	0.5
312.10550	0.5
499.85315	0.5
508.34039	3.9
509.28766	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	509.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02295	1.9
59.01383	7.7
61.78311	1.9
61.98823	2.3
64.43510	2.1
69.03479	2.4
71.01379	5.5
72.99308	7.0
75.00877	8.3
85.02916	2.7
87.00884	7.0
89.02447	5.8
96.95992	20.0
97.02945	4.1
99.04524	2.3
101.02456	3.8
105.01932	70.2
108.02174	8.0
109.02950	57.2
111.00920	2.8
113.02414	2.3
117.52031	2.2
127.04028	2.4
135.04518	99.2
136.04738	1.8
139.03957	3.8
143.05005	5.8
147.04463	4.2
148.05327	5.4
149.06076	64.0
151.03958	3.3
152.01112	7.8
153.01923	3.4
156.42082	1.9
159.04520	3.0
161.02417	2.0
161.06067	26.4
163.04008	3.5
163.07677	6.2
165.05559	7.5
171.04515	11.2
173.06178	3.8
174.03229	8.0
175.03995	4.7
177.05557	25.0
179.03500	8.1
188.04823	2.9
189.05565	100.0
191.03543	5.0
191.05588	2.8
191.07123	4.7
193.05144	3.5
207.04665	4.2
207.06615	85.7
208.06888	4.7
219.06586	4.8
221.04559	25.2
231.06561	11.3
235.06020	11.5
239.05664	7.6
241.07150	7.3
249.07634	4.8
251.05664	8.5
297.09915	3.8
311.07715	32.0
311.11383	5.1
317.12491	4.1
369.11841	11.3
375.12918	2.7
383.09821	7.5
389.10641	2.5
393.12125	2.8
397.11301	3.4
401.10797	12.8
411.13181	4.8
413.10867	84.2
414.11328	3.9
415.12482	5.4
443.11978	14.7
455.11639	6.0
473.12997	74.9
474.13043	2.5
509.12469	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	507.2602
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
51.36377	1.0
57.03442	1.2
59.01384	6.9
61.98829	7.9
66.95625	1.1
69.46364	8.1
71.01363	1.5
81.03442	2.5
81.18573	1.1
83.05012	3.7
85.51016	1.0
89.02440	1.4
93.03426	2.3
94.33540	0.9
95.05030	2.6
97.03000	1.7
97.06590	5.0
108.02184	2.0
109.02927	1.5
109.06564	3.9
121.02956	1.4
121.06574	1.9
123.08144	3.8
125.09725	21.5
135.08139	2.0
143.41931	1.1
147.04536	1.1
162.21661	1.1
163.07674	1.6
163.11250	3.5
165.12949	1.5
171.10242	2.8
173.09634	1.7
175.11203	3.0
177.12741	1.0
181.07155	1.2
185.11867	2.0
187.09677	4.0
191.05478	1.3
191.10764	4.6
193.12352	1.9
207.10243	5.7
209.11819	24.5
210.12247	1.1
217.12355	1.7
219.10156	4.0
219.13863	1.3
223.13478	1.5
225.11307	1.9
237.11229	6.8
245.11761	1.4
247.13332	1.3
263.12823	3.8
283.20825	1.9
293.14069	2.6
299.20193	1.4
301.21680	1.9
311.14743	1.7
311.22220	2.9
316.75201	1.0
317.21286	1.6
325.21558	1.5
327.19632	2.8
343.19086	1.7
345.20679	5.3
351.19580	1.2
353.17322	1.4
361.20126	4.3
369.20523	1.7
371.18564	3.7
387.21613	1.8
397.19904	2.3
415.21088	2.5
419.24216	4.2
435.23764	4.2
445.22253	26.1
461.25235	3.1
463.23358	100.0
464.23544	6.5
471.27457	4.3
489.24963	47.7
490.25378	2.7
507.26160	18.6
507.33853	1.6
508.26208	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
65.12736	0.4
65.21130	0.4
71.31725	0.6
73.53872	0.4
78.95905	8.2
96.96963	0.6
152.99580	13.4
153.00821	0.8
171.00638	1.3
227.03255	2.6
245.04262	1.5
261.22525	0.5
277.73663	0.5
279.23267	100.0
280.23618	4.1
282.73224	0.4
405.69604	0.4
471.31125	2.9
507.27246	36.9
508.27673	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46791	0.6
54.00107	0.5
59.01375	1.0
61.98829	100.0
62.38157	0.6
69.42543	0.5
71.56045	1.0
72.35533	0.5
78.95924	1.1
96.65652	0.5
121.46176	0.5
162.84004	0.5
171.10214	0.8
181.12463	0.6
182.66821	0.5
207.10187	0.9
209.11864	2.9
225.11368	1.0
227.12880	0.7
299.03638	0.7
472.15350	1.6
508.26974	0.7
508.37189	0.7
509.27383	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01379	25.7
59.18927	0.4
69.03458	0.5
71.01377	5.3
72.45493	0.4
73.02946	0.9
75.00882	1.3
85.02956	2.0
86.31087	0.4
87.00898	0.6
89.02457	3.1
93.03480	0.7
96.96056	0.5
98.20676	1.1
99.00876	0.9
101.02431	3.9
111.00884	0.6
113.02433	1.9
119.03491	0.6
131.16043	0.3
135.04567	0.7
147.64491	0.4
149.04544	0.7
161.04556	1.8
167.14432	0.7
173.04414	0.7
174.98326	0.4
179.05609	0.6
183.13884	5.6
191.05617	1.8
193.12308	1.4
211.13400	100.0
212.13747	3.3
216.05074	0.4
230.07228	0.4
253.09288	10.7
396.21393	2.3
396.71866	0.6
447.22348	6.9
463.25146	0.5
507.35251	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50485	0.8
54.16829	0.9
55.01875	1.4
57.02279	0.8
57.03449	3.3
59.01384	29.7
60.01718	1.3
61.98817	1.0
66.04353	0.7
69.03454	0.9
69.69130	0.7
69.75041	2.6
69.75452	2.1
71.01389	29.5
72.99299	0.8
73.02947	9.9
75.00873	1.3
83.01372	5.4
85.02956	16.3
87.00889	3.1
89.02434	4.3
93.03455	2.6
95.01398	1.7
96.20401	0.9
96.96027	3.5
97.02982	1.2
99.00903	6.3
101.02444	25.0
109.03141	0.8
111.00883	6.6
113.02460	13.0
119.03515	1.6
121.02960	2.5
125.02458	1.8
129.01949	1.4
135.04532	1.7
143.03531	1.4
159.03059	4.1
161.04555	20.4
162.45023	0.8
173.04611	2.2
191.05623	10.8
192.05923	1.5
209.11761	0.8
247.71489	0.8
315.18127	42.4
316.18451	1.1
397.09763	0.9
447.22333	100.0
448.22720	3.9
507.15723	1.9
507.28397	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	507.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56802	1.2
57.03444	3.4
59.01377	34.9
61.98819	6.1
68.99815	2.0
69.03452	2.2
69.29910	12.2
70.13377	1.4
71.01384	30.3
72.99331	2.8
73.02944	5.0
75.00875	9.8
81.03452	5.7
83.01380	1.8
83.05021	7.1
85.02953	18.4
87.00876	8.3
87.04519	2.3
88.98787	2.8
89.02444	55.9
92.58833	1.3
93.03448	1.5
95.01406	2.1
96.96015	6.8
97.02946	1.9
98.19920	3.1
99.00894	2.7
101.02443	18.0
102.01913	1.6
103.00362	11.7
103.04012	8.5
107.05029	5.8
109.02965	9.9
111.04494	1.9
113.02445	15.1
114.77483	1.3
119.03567	8.3
119.05022	23.4
120.99638	3.6
121.02935	1.4
121.06604	12.2
123.04501	6.7
127.03992	7.5
131.03482	3.7
131.04987	3.9
133.05066	53.8
134.03772	2.7
143.03481	5.1
145.03020	1.3
149.06071	21.2
160.04002	1.4
161.04504	5.9
163.04004	23.4
167.03410	6.3
167.07114	15.9
177.01958	2.6
179.05612	2.6
180.84967	1.4
185.08165	11.9
191.05603	8.4
192.05995	1.3
193.05034	4.4
211.06104	4.6
229.07185	12.6
283.92276	1.6
325.09241	3.0
339.12613	3.1
359.46078	1.4
373.11389	37.1
391.12427	100.0
392.12622	3.6
447.18115	3.9
447.23090	2.9
463.14465	35.1
464.14871	1.8
507.17169	37.4
528.76874	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2365
Annotation	Tomentosanol E
Peak:m/z	Relative Intensity
59.01375	37.3
59.10566	4.5
64.21484	5.2
66.10294	4.7
69.29565	29.8
69.29984	11.9
71.01380	10.4
73.02936	8.6
89.25373	4.6
93.03420	4.9
97.06610	6.0
111.00923	4.5
125.09743	7.8
172.10904	5.7
173.04510	5.9
185.11884	6.4
191.05605	8.7
207.10265	10.4
209.11794	31.1
245.19043	5.6
289.18085	25.0
290.61215	5.8
307.19156	100.0
340.19962	6.1
401.21960	10.6
463.23376	6.2
473.05240	6.2
489.22723	5.5
506.35580	20.2
507.24805	65.9
507.35489	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
63.10867	0.5
69.29400	0.5
69.30022	3.9
71.01376	1.4
71.44189	0.6
72.99305	1.3
73.02934	0.9
75.00873	8.0
83.85000	0.6
87.00876	18.7
89.02442	1.0
96.93040	0.6
99.00871	3.2
100.01436	0.5
101.02471	1.0
102.32337	0.6
105.01935	19.2
117.01919	0.7
121.16922	0.5
129.01935	1.8
137.83138	0.6
147.03035	3.6
163.06085	1.3
165.04042	100.0
166.04317	0.8
223.71149	0.5
296.34195	0.6
342.89609	0.6
489.95175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88147	0.6
57.03447	2.8
58.00592	0.6
59.01383	100.0
60.67610	0.6
61.98830	0.8
67.01892	1.3
69.03484	0.7
69.78133	2.4
71.01380	6.9
72.99327	1.4
73.02959	2.2
75.00873	4.7
83.01393	1.2
85.02966	5.3
87.00906	1.5
87.04527	1.0
89.02468	2.5
93.03454	3.9
95.01425	1.5
96.96017	8.9
97.06635	1.8
98.20638	0.7
99.00887	5.1
99.04541	1.6
101.02480	3.4
103.04053	0.7
108.02225	0.7
111.00864	3.4
113.02491	3.4
120.99667	1.0
121.03042	0.6
125.02483	1.0
127.03992	1.1
131.03537	1.7
133.02980	1.6
134.03741	0.6
135.04561	4.0
137.02448	3.8
149.06032	0.6
161.02466	2.0
161.04611	1.6
163.03938	1.1
173.04515	3.1
175.04051	1.0
175.53598	4.6
178.02844	0.8
179.03499	3.5
191.05612	6.8
216.55785	0.8
241.00304	2.0
247.55792	4.7
327.21924	0.9
345.13553	0.9
365.27927	0.6
368.21393	0.7
374.20203	3.8
380.86145	0.7
393.17728	1.7
396.21533	7.6
396.72061	1.8
421.08026	0.8
471.34921	1.4
498.15845	1.4
507.15628	5.9
507.28055	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	507.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00489	1.0
59.01377	9.0
59.78147	0.9
65.03967	1.2
65.09043	1.1
68.99820	13.2
69.44006	3.5
69.44431	4.9
71.01398	7.5
85.02961	1.8
87.00866	1.2
89.02470	2.7
91.05558	2.6
93.03465	100.0
94.03783	1.2
96.96027	2.1
101.02448	3.2
107.05036	24.6
113.02481	2.7
114.18831	1.0
119.03561	1.5
119.05032	17.4
121.02989	2.2
121.42339	1.1
123.04510	1.4
135.04529	20.5
136.01666	8.7
137.02455	94.9
137.06071	11.0
138.02850	1.4
149.02451	1.2
151.04051	4.5
161.02480	5.7
161.06186	1.5
163.04028	33.2
179.03508	36.5
180.03615	1.2
181.05095	16.1
191.05612	1.4
193.05058	2.5
205.05014	1.9
207.03000	82.5
208.03343	2.3
209.04570	6.7
221.04509	1.1
239.05637	46.7
281.06650	13.5
299.07797	8.9
343.10376	8.0
384.13980	1.1
408.32104	1.1
419.13535	1.7
463.12488	25.1
468.12836	1.2
507.11377	3.2
519.45056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3538
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
59.01371	0.9
70.92655	0.6
71.01377	1.4
73.02946	14.3
120.68711	0.4
256.36224	0.3
272.27777	0.3
313.40619	0.3
383.29657	0.4
392.01950	0.3
413.30426	0.6
425.36200	0.3
431.31635	4.0
469.33218	0.5
487.34253	4.5
505.35291	100.0
506.35620	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	505.3535
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
57.03426	0.9
59.01363	1.3
61.81026	0.3
69.32472	1.1
69.32893	1.2
71.01373	0.4
73.02943	2.6
74.62729	0.3
98.20679	0.5
101.02454	0.3
129.11842	0.3
129.28629	0.3
161.03418	0.3
191.05644	0.3
224.84738	0.3
308.77628	0.3
393.31882	0.4
429.29916	0.3
431.31586	1.3
439.32111	4.8
457.33298	0.9
475.34482	1.4
487.34406	3.5
505.35345	100.0
506.35678	6.9
524.65112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3537
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
53.03181	0.2
55.51374	0.2
57.03437	0.8
59.01370	0.4
59.88203	0.2
66.50809	0.2
69.43809	1.2
73.02938	0.4
73.13953	0.2
83.05009	0.3
95.05016	0.2
95.71055	0.2
98.20642	0.4
113.79781	0.2
143.29384	0.2
149.81319	0.2
191.05626	0.3
242.63612	0.2
269.25754	0.2
283.65625	0.2
319.37845	0.2
379.30014	0.3
393.31708	0.3
395.33072	0.4
413.34308	0.7
439.32196	2.0
457.33295	1.5
475.34561	0.4
487.34283	11.0
488.34595	0.5
505.35330	100.0
506.35651	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	506.297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87841	0.2
61.98832	100.0
70.58104	0.7
78.95926	0.7
128.10373	0.2
152.99567	1.2
202.97249	0.2
236.13622	0.2
239.23030	0.2
279.23279	3.8
280.23508	0.3
281.24652	0.3
497.84869	0.2
507.27206	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52605	0.5
59.01369	2.1
61.98845	0.7
70.45906	0.8
70.46281	1.3
71.01374	1.1
73.13857	0.5
85.02962	1.2
86.23563	0.6
87.16571	0.5
99.81527	0.5
101.02426	1.9
101.89484	0.5
125.40878	0.7
163.06140	4.3
168.75182	0.6
172.57204	0.6
185.55849	0.5
236.40460	0.6
255.23169	1.1
274.66238	0.6
279.23416	1.5
281.24847	100.0
282.25085	3.6
469.33282	5.0
469.61713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3534
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
50.78614	0.3
51.75732	0.3
57.03444	0.5
59.01379	16.4
68.37064	0.2
71.01368	0.6
73.02940	2.2
89.02441	0.4
102.01279	0.3
102.26860	0.3
108.55441	0.3
127.03989	0.5
145.02963	0.5
187.43245	0.3
191.05785	0.4
305.75473	0.3
401.30640	0.4
421.31009	0.5
429.30319	0.7
449.51398	0.3
473.32861	0.8
487.34528	1.3
505.35358	100.0
506.35602	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	505.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	18.8
61.76865	2.9
89.07892	3.0
96.96006	6.7
106.82585	3.2
113.10122	3.1
124.63267	3.0
147.53491	3.1
346.63358	3.7
439.32056	5.6
447.30249	3.8
487.34024	4.4
504.34036	6.3
505.27393	7.1
505.35242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3017
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
52.02597	0.5
55.85434	0.5
56.29980	0.5
57.03443	1.9
59.01381	10.9
61.98824	1.1
65.34277	0.5
67.01897	0.9
69.41058	0.7
69.41396	4.4
71.01384	12.7
72.99320	3.8
72.99680	0.6
73.02950	1.1
75.00878	13.0
83.01387	0.8
85.02959	18.5
87.00874	5.0
87.21596	0.6
89.02441	3.8
95.01395	4.3
96.95982	0.5
99.00883	7.8
101.02445	0.7
103.00383	2.0
108.65088	0.5
111.00909	0.8
113.02456	22.8
115.00379	1.3
117.01943	2.0
129.01947	1.3
131.03496	0.5
157.01463	0.6
157.66309	0.5
175.02440	3.0
195.18697	0.5
205.07167	2.3
221.94318	0.6
223.08163	0.7
229.73143	0.5
249.06152	4.8
255.23299	63.4
256.23666	2.3
267.07135	4.8
279.23331	0.7
280.23706	1.6
445.27362	0.7
451.93036	0.6
465.76758	0.5
469.33167	9.6
487.29239	2.1
493.87485	0.6
505.30191	100.0
506.30487	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2573
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01372	1.7
61.98893	0.4
63.59672	0.4
70.20244	1.2
78.95906	12.2
86.50796	0.4
89.64763	0.3
96.96977	0.8
98.20591	0.4
113.88912	0.4
134.83047	0.4
152.99586	16.2
168.04355	0.5
171.00621	2.0
190.21240	0.5
224.06905	0.9
225.07245	0.5
227.03282	2.8
245.04460	2.0
259.20630	0.4
277.21716	100.0
278.22018	4.4
279.23242	5.4
280.23642	9.7
484.82578	0.4
505.25601	38.6
505.31400	2.6
506.26205	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2655
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
55.01880	2.5
57.03449	2.5
58.00593	0.9
59.01382	20.5
67.01880	0.4
69.03453	0.9
70.56603	0.5
71.01385	36.0
72.99313	1.5
73.02951	15.7
75.00867	1.0
81.03468	0.5
83.01385	6.0
84.02171	0.2
85.02956	17.4
86.00108	0.6
86.40295	0.2
87.00886	2.6
87.04571	0.2
89.02451	10.6
93.03445	0.8
95.01389	2.9
96.96004	1.0
97.02938	1.8
99.00882	7.3
99.04528	0.8
101.02448	31.7
102.02820	0.3
108.02189	0.2
109.02973	0.2
111.00881	2.3
113.02452	13.7
115.04022	1.3
117.01956	0.2
119.03525	1.3
125.02463	2.2
127.04027	0.6
129.01965	1.0
131.03522	2.2
133.02969	0.4
143.03487	1.9
145.02963	0.5
146.40765	0.2
149.04596	1.6
151.00363	0.2
159.02991	2.2
161.02602	1.1
161.04562	11.4
168.97839	0.2
173.04558	0.7
177.02060	0.2
179.03581	0.2
179.05643	0.3
191.05612	4.9
210.05557	0.2
233.06580	1.7
241.07112	0.2
243.03030	0.2
251.07440	0.3
255.02968	0.8
267.06638	0.2
271.02502	1.6
293.08734	0.9
295.05801	0.3
300.02734	2.6
301.03604	0.8
321.03976	0.2
322.23184	0.2
339.05161	1.0
355.21292	0.5
373.22308	30.1
374.22540	1.2
406.55151	0.3
417.21292	0.4
487.25684	0.4
505.11349	2.3
505.26559	100.0
506.26855	4.8
513.10443	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
59.01377	8.5
60.99312	13.4
61.98830	1.8
69.76517	3.7
71.01383	4.1
74.85129	0.6
85.02946	2.2
87.00877	1.6
88.00398	1.6
88.98813	100.0
89.02443	12.6
93.03480	4.1
96.96002	4.7
98.19976	1.0
99.04533	2.9
101.02448	3.4
109.02993	1.7
111.00887	2.5
113.02494	1.4
116.92868	6.8
120.99661	2.3
124.62088	0.7
125.02432	0.7
127.03989	0.9
133.02968	1.9
135.04515	1.9
137.02460	7.1
145.03020	0.9
151.96036	0.6
161.02466	5.7
161.04536	5.1
166.54796	0.8
173.04561	3.9
173.05956	0.7
179.03468	2.6
191.03978	1.1
191.05632	15.5
193.05249	0.8
229.01402	6.7
233.06595	1.1
241.00291	1.2
241.07123	0.9
293.04709	0.8
295.06021	0.9
321.04019	1.0
323.09814	1.2
335.07428	1.1
337.03207	0.8
338.04355	1.3
339.05133	4.0
352.07980	1.2
389.21414	0.8
408.07080	0.9
424.10172	1.3
497.13403	0.8
505.06912	0.8
505.13400	1.3
505.22885	1.0
513.10437	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3378
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03440	0.5
59.01371	0.9
61.10509	0.2
61.98801	0.2
64.41702	0.2
69.50246	1.2
71.01378	0.6
73.02947	3.3
87.92934	0.2
89.02419	0.3
128.64597	0.2
191.05725	0.3
274.38785	0.2
313.03113	0.2
318.25833	0.2
375.30612	0.4
407.29520	0.6
413.30676	0.3
425.30646	0.3
437.30475	1.2
455.31674	0.5
459.34744	0.5
473.32657	2.4
474.45770	0.2
485.32690	3.2
497.13135	0.2
503.33789	100.0
504.34174	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	503.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01375	1.8
65.14077	0.3
66.98391	0.3
68.90379	0.3
71.01385	0.6
71.04997	0.4
72.99302	0.5
73.02949	11.2
75.00871	0.3
87.00868	0.5
98.20694	0.5
111.02060	0.3
123.69590	0.3
191.05615	1.7
339.25177	0.4
351.64349	0.3
389.27652	0.4
411.33368	0.4
415.28677	0.3
423.32739	0.9
427.32407	0.4
431.31601	0.6
441.33704	0.6
443.32034	0.6
445.29599	1.3
455.31622	0.8
459.34680	0.8
473.32907	1.7
485.33115	2.7
503.33774	100.0
504.26495	0.5
504.34067	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	503.3379
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03429	0.8
63.70554	0.2
69.18695	2.2
71.01369	0.5
73.02956	2.4
92.35787	0.2
98.20650	0.5
102.53626	0.2
191.05603	0.3
248.50908	0.2
375.30756	0.3
389.28595	0.3
399.28876	0.4
407.29395	0.7
411.28967	0.4
419.29556	0.9
429.30096	1.1
437.30508	4.4
438.30887	0.3
455.31750	1.3
467.31366	0.3
473.32693	1.5
485.32806	3.5
503.33786	100.0
504.34113	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	503.338
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
50.31413	0.2
51.01514	0.1
57.03439	0.7
59.01372	0.8
69.81642	0.8
71.01375	0.5
71.04999	0.2
73.02951	2.8
75.00839	0.2
77.65604	0.2
83.05033	0.2
85.02979	0.3
88.08841	0.1
99.34221	0.1
111.00895	0.2
112.01213	0.2
115.69292	0.1
116.27359	0.1
132.83478	0.2
191.05617	0.4
286.92352	0.2
328.27194	0.1
347.27167	0.1
375.30386	0.3
388.04437	0.2
441.33926	0.2
443.27771	0.2
445.29327	0.6
455.31580	0.6
459.34921	0.8
473.32681	1.5
485.32797	2.3
501.32281	0.3
503.33792	100.0
504.34076	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	505.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01381	2.9
60.59533	0.4
60.97766	0.3
71.01369	0.4
71.10468	0.9
78.95908	0.5
93.03448	0.5
121.02957	100.0
122.03305	1.5
135.04475	0.5
162.83868	1.2
180.05786	0.5
181.06592	3.3
191.05646	0.5
197.06075	3.3
207.04597	0.9
207.08205	0.5
223.04042	0.5
225.05557	2.0
257.09818	0.7
313.07202	4.7
329.08124	0.4
357.06305	1.1
383.07733	0.9
417.09787	11.1
418.09976	0.6
430.30499	0.8
445.29520	1.4
457.33151	0.6
461.12250	0.5
473.32712	6.0
474.32980	0.5
479.31778	0.4
486.33676	0.5
504.34033	5.3
505.11368	10.8
505.35352	13.5
506.11728	0.8
506.36005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2495
Annotation	Leeaoside
Peak:m/z	Relative Intensity
55.01878	2.5
57.01473	0.2
57.03451	2.9
58.00597	1.2
59.01382	24.9
61.36190	0.2
67.01888	0.3
68.99799	0.2
69.03458	1.4
69.19753	1.3
69.20157	0.4
70.80930	0.2
71.01383	40.4
72.01720	0.2
72.99303	1.3
73.02950	16.4
74.35755	0.2
75.00871	1.1
79.01866	0.2
80.87242	0.2
81.03465	0.6
83.01389	5.7
83.05035	0.2
84.02179	0.3
85.02953	16.0
86.00113	0.3
87.00882	2.2
89.02448	14.5
93.03472	0.8
95.01389	2.8
96.96038	0.2
97.02954	2.3
98.19942	0.4
99.00881	7.9
99.04520	0.6
101.02447	31.1
102.02813	0.3
103.56306	0.2
109.02981	0.2
111.00878	0.9
113.02452	14.0
114.02840	0.2
115.04017	1.6
119.03500	2.7
123.08224	0.3
125.02443	3.4
127.04035	0.4
129.01927	0.8
131.03506	3.3
135.04581	0.2
137.09714	0.4
139.11208	0.2
141.01924	0.2
143.03485	2.0
149.04555	3.6
149.05725	0.3
149.08466	0.2
149.09703	0.3
159.03024	2.6
161.02406	0.6
161.04556	11.3
165.12903	0.2
167.03528	0.3
169.08691	0.2
173.04550	2.2
179.05659	0.3
191.05620	2.9
209.15459	5.0
215.05630	0.2
233.06638	2.8
233.15604	0.2
234.10944	0.2
251.07915	0.2
263.03580	0.2
293.08847	1.4
335.01938	0.5
341.08917	0.6
353.19720	0.3
371.20731	34.4
372.21146	1.2
390.15598	0.2
422.08411	0.3
467.24823	0.4
500.33340	0.2
503.24985	100.0
504.25330	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	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39030	1.0
57.03447	2.1
57.93120	1.1
59.01380	100.0
60.99300	1.6
61.98836	2.0
67.01882	1.6
69.03461	1.5
71.01379	16.3
71.55730	1.6
72.99306	1.7
73.02935	4.3
75.00871	2.2
85.02949	11.0
87.00880	4.5
87.04516	1.4
89.02448	4.6
93.03457	11.9
95.01398	2.7
96.96009	4.1
98.06000	1.1
99.00880	4.0
101.02461	8.5
111.00847	3.3
111.04508	1.3
113.02431	10.8
117.03487	1.3
119.03467	2.0
119.05029	1.2
125.02450	1.1
131.03549	1.4
133.02995	1.4
135.04512	1.9
137.02486	1.6
161.02484	2.8
161.04527	5.2
173.04515	5.5
179.05571	1.2
186.48306	1.1
191.05606	16.5
196.92868	1.0
213.39761	1.2
236.71252	1.1
399.23883	18.5
400.24243	1.4
417.24884	7.9
443.19284	2.1
449.14166	3.2
452.12781	1.2
459.25882	2.2
467.15582	2.9
503.32465	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.4
57.03441	3.1
58.00589	1.3
59.01379	26.5
61.98826	0.5
67.01895	0.3
68.99793	0.4
69.03457	1.6
71.01381	44.6
72.01710	0.6
72.99308	1.8
73.02946	16.4
75.00863	1.5
79.95739	0.3
81.03442	0.7
82.45042	0.3
83.01385	6.6
85.02949	18.4
86.00112	0.3
87.00883	3.1
89.02444	21.8
90.02737	0.4
90.24386	0.2
93.03431	0.9
95.01383	2.9
96.96003	1.0
97.02950	2.6
99.00876	10.4
99.04513	0.8
101.02440	35.8
109.02964	0.4
111.00877	1.2
113.02448	16.3
114.02811	0.3
115.03996	1.8
119.03475	3.4
123.04599	0.4
124.49751	0.3
125.02444	3.9
127.04065	0.4
128.29645	0.3
129.01936	1.0
131.03502	4.2
133.02937	0.3
135.04501	0.6
137.09723	0.6
139.00363	0.3
143.03516	2.4
149.04541	6.5
149.09706	0.5
159.02979	2.3
161.02420	0.6
161.04550	11.7
162.04878	0.3
173.04532	0.9
179.05626	0.8
187.07652	0.3
191.05606	5.8
205.64589	0.3
209.15482	4.5
221.15331	0.3
232.29770	0.3
233.06667	3.1
251.07834	0.4
293.08801	2.0
295.09280	0.4
371.20718	39.3
372.20996	1.8
467.16043	0.3
503.24960	100.0
504.25336	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	501.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73221	1.0
55.74767	1.1
70.80399	2.3
149.09723	24.2
163.11296	93.8
164.11633	2.9
182.15970	1.1
239.08989	1.1
321.18848	1.4
325.21698	27.6
326.21838	1.4
337.21777	14.2
360.86673	1.1
501.33759	100.0
502.34085	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	503.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.4
56.87374	0.7
57.03437	1.5
59.01385	10.7
61.98810	0.9
65.03954	0.9
66.22243	0.8
68.99809	1.0
69.03432	0.9
71.01389	13.4
72.99308	1.4
73.02959	4.7
73.94299	0.8
78.95883	1.4
81.03445	4.0
83.01390	47.4
83.05028	7.0
85.02946	4.0
87.00864	4.9
87.04510	3.9
89.02446	10.3
93.03465	10.1
93.50378	0.9
95.01389	1.1
96.96015	40.6
96.96965	2.6
97.02962	2.0
98.95583	11.2
98.96411	1.7
99.00876	6.2
99.04517	2.1
101.02448	42.1
106.19296	0.9
107.05034	24.5
108.02149	1.0
109.06590	1.5
111.00905	2.2
111.04543	1.3
113.02457	6.6
115.05528	1.2
119.03519	2.3
119.05029	3.8
121.02949	1.6
123.04529	1.4
125.02434	5.2
125.06093	15.7
127.00385	32.0
127.03979	3.3
131.03476	1.8
133.03012	1.2
133.05087	12.9
133.06584	2.5
135.04480	2.3
137.02423	2.5
137.06076	2.4
139.04037	1.0
143.03479	3.6
147.04518	1.3
149.06157	1.2
151.07654	28.0
152.08020	1.1
161.02444	2.2
161.04567	1.4
161.18869	0.8
163.04059	2.1
165.05493	1.5
169.08702	10.4
177.01924	6.2
178.02261	2.6
179.02313	2.1
181.04988	3.2
189.05698	0.8
191.05571	2.1
195.06566	1.7
207.02936	2.6
213.07697	5.2
223.06084	1.0
223.37593	1.0
241.07185	3.0
303.05197	1.3
307.06595	2.1
343.10349	3.0
357.11942	4.3
375.12851	6.3
383.10123	1.0
389.11005	1.9
403.12396	1.2
459.15201	6.6
467.25427	4.2
503.13992	100.0
504.14328	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3224
Annotation	Dianic acid
Peak:m/z	Relative Intensity
57.03440	0.6
59.01374	0.9
71.01392	0.4
71.09487	0.8
73.02963	0.4
83.05019	0.4
85.02959	1.8
87.04535	0.7
90.01982	0.3
111.00874	0.8
120.47012	0.3
130.86134	0.4
139.74960	0.3
147.85310	0.3
151.30482	0.3
162.10437	0.4
217.00233	0.3
232.55357	0.3
252.98488	0.4
409.31577	0.4
411.33368	0.4
420.54840	0.4
427.32062	2.1
429.30063	0.6
439.32025	2.6
439.41266	0.4
453.29993	1.8
455.31573	0.6
457.33228	26.8
458.33606	2.1
483.31372	3.4
501.32248	100.0
502.32556	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	501.3219
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
59.01372	0.8
64.53922	0.4
73.02950	32.9
75.33268	0.5
80.64465	0.5
83.05038	1.3
96.96008	0.7
97.06615	1.0
111.00879	0.6
135.79382	0.5
353.25107	0.6
355.26505	1.1
365.24835	1.8
365.28812	0.6
383.25760	11.5
383.29669	1.3
393.94647	0.5
395.29916	1.0
409.27432	1.8
421.31137	1.6
439.32428	0.6
457.29077	2.7
483.30957	1.5
501.32248	100.0
502.32666	6.8
528.81976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.6
59.01104	1.1
59.01384	16.8
64.98307	0.7
67.53304	0.7
68.84184	0.8
71.00996	1.2
71.01388	14.8
72.99304	4.4
73.02934	1.9
75.00876	10.6
77.56438	0.8
80.02656	3.9
85.02955	18.5
87.00874	6.6
89.02435	4.4
91.04017	0.8
93.03476	1.1
95.01388	3.8
96.96008	1.9
99.00892	6.9
99.04536	3.7
101.02436	1.4
103.00367	2.4
111.00859	1.3
113.02460	21.1
115.00395	1.0
117.01942	1.8
129.01950	1.3
157.01373	1.2
175.02531	2.8
189.12834	8.0
207.05128	0.8
207.13896	5.1
229.51761	0.9
233.11803	4.1
249.06142	14.0
251.12910	3.8
267.07208	33.4
295.70407	0.8
325.16586	3.6
439.19870	3.3
483.18683	1.8
501.19781	100.0
502.20178	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	501.2104
Annotation	Verrucarin A
Peak:m/z	Relative Intensity
50.17479	2.8
53.37030	2.8
59.01378	28.1
64.28729	3.1
69.46639	22.5
71.01384	25.8
73.02951	7.1
76.26266	3.1
81.27582	3.1
85.02983	4.6
89.02461	30.8
93.03448	4.0
96.96005	11.9
98.20653	4.2
99.00893	5.3
101.02418	22.0
104.58022	3.3
108.02158	5.9
112.91534	3.1
113.02428	7.6
119.03522	5.8
131.03485	9.8
147.04518	3.6
149.04555	18.5
161.04584	6.8
173.04546	3.8
191.05598	17.3
333.19223	5.9
363.30927	3.3
387.16116	3.5
425.43628	3.8
465.23355	70.5
466.23795	4.4
501.13541	5.7
501.21011	100.0
502.21432	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	501.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
57.77372	0.5
59.01380	20.7
59.58737	0.6
61.98848	0.9
66.56826	0.5
68.95273	0.6
71.01392	3.6
72.94685	0.6
73.02939	0.7
75.00849	0.8
79.95730	5.2
80.96516	2.6
82.25168	0.6
83.01402	0.8
85.02953	2.7
87.00864	0.8
89.02477	0.6
90.29186	0.6
93.03431	1.1
96.96014	99.1
98.19833	1.3
98.95563	1.3
99.00856	0.7
101.02443	3.3
103.00373	8.2
111.00874	0.9
113.02430	1.9
119.05029	7.3
121.02948	2.0
122.58016	0.6
130.23917	0.6
133.02959	1.0
134.06114	0.7
137.02469	1.8
138.97127	0.9
150.97058	0.8
160.01683	1.7
161.02460	1.4
163.03998	4.1
164.98633	3.4
173.04514	1.2
175.03970	2.1
179.03412	1.6
180.98103	1.5
191.05612	3.5
234.86165	0.7
241.00209	3.6
267.07080	1.4
323.07809	1.9
337.09247	1.7
340.10397	0.7
397.15369	2.7
415.16406	100.0
416.16727	2.7
457.17471	42.7
458.17715	2.2
483.15268	1.8
485.58652	0.6
501.16425	44.7
502.16559	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	82.9
60.01721	0.7
64.47346	0.6
72.99313	1.5
90.97141	1.0
98.76435	0.7
132.98245	1.7
134.97025	1.4
143.03220	0.7
157.03534	3.8
159.01511	1.0
174.99252	23.6
176.98053	0.8
185.09378	0.7
192.96092	3.3
201.02567	38.2
202.02666	1.7
215.00560	1.0
215.04105	1.5
217.00307	100.0
218.00587	1.2
219.18695	0.7
234.97031	0.8
250.95149	3.6
276.98203	2.8
292.96109	4.6
334.97293	3.2
343.03674	4.6
346.58441	0.7
359.01483	73.1
360.01761	3.7
500.98779	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	501.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.2
61.98824	0.5
70.81173	0.8
71.01384	1.0
71.93372	0.3
78.95904	7.8
79.95744	3.0
93.03487	0.7
96.96013	100.0
96.96923	12.7
108.67666	0.3
120.44707	0.3
138.42316	0.3
143.03525	0.4
152.01202	0.2
157.86258	0.3
162.43466	0.2
173.04582	0.4
177.06740	0.4
181.05119	0.4
191.05591	0.8
191.08298	1.0
205.06163	1.3
219.07777	1.9
223.45532	0.3
257.70428	0.3
285.12241	0.3
339.11960	2.6
343.10391	0.3
473.56671	0.3
501.16980	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	501.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22544	0.2
50.51595	0.2
55.75676	0.2
64.13947	0.2
69.18802	1.3
69.19218	0.7
78.95905	56.7
79.95728	0.9
82.44540	0.2
83.34859	0.2
84.58681	0.2
95.06079	0.2
96.96017	30.9
96.96962	100.0
102.76283	0.2
103.40179	0.2
191.05621	0.6
209.27303	0.2
250.77605	0.2
310.78552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22749	0.3
59.01385	2.3
59.92402	0.4
61.98825	1.1
62.83123	0.4
71.01389	1.6
71.23572	0.4
72.54609	0.4
73.02935	0.5
79.95745	28.8
80.96542	0.8
85.02953	1.5
89.02448	1.2
93.03440	2.1
95.94601	0.6
95.95238	20.4
96.96016	84.0
98.20708	1.1
99.04493	0.6
101.02473	1.0
110.97592	7.9
113.02415	0.5
125.02444	0.6
131.07239	0.5
133.03030	0.5
136.99156	6.6
137.02454	1.5
141.95796	0.8
147.04536	0.5
161.02414	1.3
161.04524	0.7
167.00203	38.5
173.04607	1.5
177.05527	0.7
181.05081	0.5
191.05608	12.2
191.07346	0.6
192.06026	2.7
193.06126	2.9
195.06586	1.0
230.02299	0.6
289.03888	0.8
303.05136	0.7
303.13470	0.5
317.07056	1.2
333.06430	1.6
361.12985	0.5
364.53265	0.4
371.22925	0.5
381.94403	0.4
455.11349	0.4
486.11896	1.7
501.14377	100.0
502.14752	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3065
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
57.03451	0.5
59.01382	5.3
69.86690	1.4
73.02943	0.5
84.48184	0.3
84.91971	0.3
85.02924	0.4
87.00862	0.4
111.00892	4.6
129.41577	0.3
139.79834	0.3
173.00969	0.4
202.81419	0.3
335.56662	0.3
338.62332	0.3
377.52332	0.3
393.28198	0.5
401.28580	0.5
419.29797	1.6
437.30890	0.8
451.28516	0.4
469.29480	4.3
499.30664	100.0
500.30933	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	499.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
66.64455	0.5
68.02090	0.5
69.94511	0.6
69.94805	2.8
70.83429	0.6
80.21096	0.6
81.05910	0.6
83.37160	0.5
91.04021	2.2
116.18227	0.6
134.10504	0.5
277.21783	2.9
319.23102	0.6
347.25955	0.8
365.26944	10.0
499.30212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01930	0.8
57.03523	3.3
58.00649	0.8
59.01125	2.1
59.01454	17.0
61.98880	1.1
67.01974	1.6
68.99557	0.5
68.99891	1.3
69.03518	1.0
70.88158	1.1
71.01034	2.0
71.01468	22.9
72.99399	4.7
73.03032	2.1
75.00510	1.1
75.00966	15.0
79.05634	0.5
81.03563	0.6
82.18364	0.5
83.01441	0.8
85.02485	1.6
85.03049	24.2
87.00977	10.5
87.08466	0.4
89.02545	7.1
91.04075	0.9
93.03548	1.3
95.01403	5.5
96.96007	3.8
97.35118	0.5
98.95683	1.8
98.96548	0.8
99.00882	9.2
99.04604	1.3
101.02550	1.5
103.00367	2.5
106.41621	0.5
107.05116	0.8
111.00891	16.2
112.01787	0.7
113.01722	1.3
113.02457	36.0
115.00455	2.0
117.01939	2.4
127.04077	0.5
129.01917	2.4
130.28816	0.5
131.03589	1.0
135.04616	1.0
149.04613	0.9
157.01530	0.8
161.13367	11.9
161.14565	0.7
162.13818	0.5
173.00970	1.6
173.04581	0.6
175.02464	3.1
187.11285	2.4
189.04265	0.6
189.06743	0.6
191.05577	3.2
204.18019	0.5
205.07268	1.7
205.12323	10.2
207.05222	2.3
223.08235	0.6
231.05092	1.5
245.72951	0.6
249.06155	25.0
250.06557	0.6
267.07211	100.0
268.07523	1.9
290.04297	0.5
396.21274	0.5
418.19031	1.1
437.17633	0.6
455.19254	48.7
456.19534	2.9
499.18073	25.1
500.18637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58254	0.2
51.95999	0.2
54.17435	0.2
57.03434	0.5
58.20649	0.2
59.01384	1.8
61.98828	0.3
67.01896	0.4
71.01377	0.9
71.55875	0.3
73.02961	0.3
82.60372	0.2
83.05033	0.3
85.02950	7.7
87.00874	1.9
89.02455	0.2
92.69160	0.2
93.03465	3.2
96.96021	1.1
99.04507	0.4
101.02448	0.4
109.02963	0.8
111.04529	1.1
124.52143	0.2
127.04007	2.3
134.03708	0.8
134.51497	0.2
136.01651	0.4
137.02487	0.2
143.03523	0.3
151.00427	0.3
155.03442	0.4
156.09180	0.2
159.04504	0.3
161.04498	0.3
171.02966	0.6
173.04547	2.8
178.99828	0.2
187.04056	1.4
187.07602	1.5
191.05606	100.0
192.05925	1.6
202.06331	2.9
203.07097	0.5
215.07135	0.5
224.06918	0.6
224.57121	0.2
231.10350	0.6
243.03008	0.3
245.11769	0.4
255.03088	0.6
263.12811	0.3
271.02408	1.4
275.09372	0.3
289.10815	1.2
300.02747	3.2
301.03561	1.0
307.11868	2.4
325.12964	1.1
452.33435	0.3
463.08847	3.4
463.15344	0.3
463.21909	0.6
467.15823	0.3
481.17310	3.6
482.17862	0.3
499.19061	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31735	0.3
57.03441	0.7
59.01373	0.8
59.39194	0.2
59.48297	0.3
60.14011	0.3
61.98814	0.4
70.56098	0.6
71.01386	0.6
78.95905	2.8
79.95731	3.0
83.81231	0.2
85.02949	0.3
87.09457	0.3
92.14137	0.2
93.03465	0.6
96.96017	100.0
96.96906	5.6
99.04507	0.4
101.02441	0.3
107.39238	0.3
143.21869	0.3
149.41803	0.3
161.04576	1.1
171.05989	0.3
173.04610	0.5
187.07744	0.5
191.05591	2.6
192.05995	0.6
193.06244	0.4
242.53078	0.3
245.55432	0.3
250.70781	0.2
333.95761	0.3
355.08969	0.4
426.82269	0.3
499.13315	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	499.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23369	0.3
57.03445	0.8
59.01371	1.4
61.98832	0.9
62.46839	0.3
66.51625	0.3
69.43848	0.5
69.44250	2.0
71.01379	1.0
79.95741	13.0
85.02950	1.3
87.00876	0.8
89.02449	0.7
93.03476	1.6
95.95267	0.6
96.96012	100.0
99.04522	1.0
101.02441	0.9
109.02972	0.5
110.97584	8.7
111.00883	0.5
111.04496	0.7
113.02450	0.6
135.04510	0.4
137.02461	0.5
161.02483	0.8
161.04582	1.1
167.00162	0.9
173.04552	2.4
175.03951	0.5
187.07648	0.7
191.05620	8.7
192.05934	0.9
208.53194	0.3
224.06911	0.6
224.57057	0.7
233.08176	0.5
233.29611	0.3
267.67798	0.3
296.59222	0.5
300.03656	0.3
313.03876	0.7
315.05444	1.3
346.07095	0.5
359.11334	0.5
373.12985	0.8
387.00488	0.5
389.12473	1.2
453.08411	0.7
463.21927	0.9
469.07956	0.7
484.10541	1.5
499.12793	68.3
499.18567	2.7
499.61267	0.4
500.13098	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	497.3639
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
59.01372	2.6
70.00678	2.0
72.94376	0.4
78.46721	0.4
80.29446	0.5
97.06576	0.7
153.72705	0.5
181.95428	0.4
182.76921	0.5
238.92470	0.5
281.89352	0.5
437.34323	3.0
497.36383	100.0
498.36703	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	499.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03904	0.3
56.05744	0.4
56.46291	0.4
57.03452	6.3
57.27979	0.3
58.03770	0.8
59.01385	6.3
60.01712	0.4
61.01812	0.5
61.98832	0.5
67.01904	1.4
68.99815	1.3
69.33066	0.9
69.33463	3.5
71.01376	1.3
73.02940	0.5
78.95907	4.6
79.95747	3.8
81.03451	0.8
82.95441	0.5
85.02954	1.2
85.94184	0.4
87.00860	1.0
89.02409	1.0
93.03465	6.8
94.03814	1.7
96.96018	100.0
96.96923	8.9
99.04523	7.9
100.04884	2.1
101.02448	5.8
101.04948	0.8
102.02780	0.8
103.02930	0.4
109.02934	0.7
110.97566	0.4
111.04533	1.7
112.04832	0.4
113.02435	0.6
113.98447	0.4
118.83311	0.4
125.02455	0.5
127.04019	0.8
133.02998	0.7
135.04527	8.4
136.04855	3.1
137.02437	2.0
137.05031	1.2
138.02805	0.7
139.12202	0.4
143.03552	0.4
149.04550	0.5
149.06256	0.4
155.03519	1.9
156.03873	0.6
157.04048	0.4
160.04068	0.4
161.02530	3.1
161.04558	13.0
162.02792	1.0
162.04904	4.4
162.17825	0.5
163.02919	0.6
163.05009	3.7
173.04558	16.4
174.04895	6.3
175.05063	4.7
179.03505	7.0
180.03841	4.0
181.03925	3.0
185.02261	0.4
187.07657	0.5
191.05620	26.5
192.05959	9.1
193.06067	9.0
195.06676	1.3
203.03651	0.8
215.05745	0.5
223.48323	0.4
233.06729	1.3
234.06958	0.9
235.07320	0.5
281.99591	0.5
307.17545	0.5
335.09741	1.5
336.10474	2.1
337.10715	4.2
353.08646	4.2
354.09125	4.7
355.09320	11.7
390.73560	0.4
397.10510	1.5
401.10977	3.4
429.10550	1.1
437.13623	1.6
439.21793	1.6
480.84164	0.4
499.13416	4.2
499.19601	1.4
509.61111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03447	0.9
59.01381	2.2
71.01373	2.6
72.99312	0.6
73.02956	0.3
75.00867	1.1
79.95746	3.6
80.96527	1.6
83.01360	0.3
84.58800	0.3
85.02947	4.5
89.02432	0.8
94.98043	0.3
95.95236	1.2
96.96011	85.4
97.02936	0.3
97.46262	0.3
98.19891	0.8
99.00877	1.9
101.02453	0.5
109.15465	0.3
111.00889	0.3
115.04009	0.6
129.01956	3.0
138.97090	1.2
150.97144	0.4
152.98616	1.1
164.98573	0.4
168.98102	1.1
176.98627	0.8
177.04047	8.2
180.98059	0.3
191.05658	0.6
194.99730	1.1
241.00232	3.0
256.99719	40.9
258.00018	0.8
259.21597	0.3
289.24893	0.3
293.98682	0.3
329.98199	0.3
372.11389	0.3
411.13202	0.3
456.67493	0.3
497.20605	100.0
498.20941	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	497.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02167	2.3
53.51770	2.1
55.01896	2.2
57.03458	10.6
59.01378	19.9
61.98827	14.5
67.01885	2.6
69.25068	17.6
71.01382	15.1
71.02278	2.0
72.08086	2.6
72.99320	4.0
73.88216	2.4
75.00890	10.0
79.95755	7.1
80.47573	2.1
81.95348	2.0
83.01390	2.7
85.02961	13.2
87.00903	8.1
89.02487	4.4
93.03463	13.4
96.96014	71.7
98.95616	17.0
98.96481	3.2
99.00923	7.1
99.04543	8.8
101.02498	7.3
103.00391	2.1
109.06629	8.3
111.00905	10.4
111.04573	3.4
113.02444	11.0
123.20018	2.5
129.01888	2.8
135.04562	9.9
137.02507	5.2
155.03677	2.6
159.03227	2.6
159.11816	4.8
161.02518	6.8
161.04591	13.4
163.11383	4.9
165.09352	2.5
165.86688	2.1
173.04533	18.3
175.53706	4.6
177.04031	3.6
179.03520	5.6
191.03754	4.5
191.05608	52.7
192.05968	2.5
195.27925	2.6
203.10863	8.8
207.10237	45.5
225.11302	21.7
228.70837	2.1
241.00415	3.0
243.00180	2.4
249.06194	12.8
253.09291	20.3
256.99664	23.6
258.80362	2.9
258.99445	3.5
267.07175	12.7
297.07645	3.0
312.03989	2.4
335.09561	2.4
353.09061	4.2
411.13208	15.4
419.13992	2.9
443.19604	6.1
453.13931	5.2
453.18576	3.1
461.20334	51.9
462.20779	3.9
497.20001	100.0
498.20456	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	497.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.8
59.01384	11.8
61.98844	4.0
62.78591	0.6
69.03427	0.5
69.39504	4.4
71.01370	3.5
73.02972	0.8
75.00897	0.9
79.95743	5.4
80.96526	2.7
85.02943	4.3
87.00843	0.7
89.02460	0.8
93.03445	1.5
93.30287	0.5
95.95255	1.4
96.96015	100.0
97.02954	1.6
98.93336	0.5
98.95568	0.8
99.00871	1.2
99.04520	4.1
101.02436	2.3
103.00369	6.4
105.33339	0.5
111.04546	0.7
111.26398	0.6
113.02483	1.0
115.04044	1.1
120.96054	0.5
129.01950	1.9
135.04529	2.0
137.02515	0.6
138.97086	1.2
143.03493	0.7
150.97086	1.0
152.98663	2.2
155.03549	1.0
159.02968	1.3
161.02431	2.2
161.04568	7.0
164.98625	0.8
168.98167	0.9
173.04578	4.3
176.98596	2.8
177.04022	5.0
179.03482	1.8
180.98125	0.8
191.05630	11.1
191.25362	0.6
194.99736	1.5
233.06601	1.3
238.98674	5.7
241.00247	2.4
246.71600	0.6
256.99725	35.4
273.09842	0.8
299.00888	5.6
328.44891	0.7
335.07791	3.1
335.10455	0.9
353.08777	2.2
396.78076	0.6
411.13309	57.7
412.13730	2.5
433.52957	0.6
435.13239	1.0
453.14346	31.9
454.14801	1.7
479.12024	0.7
491.68832	0.6
497.13354	39.8
497.20599	29.6
498.13593	2.2
498.20618	1.1
516.02051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79003	0.4
57.03455	0.6
57.94872	0.4
59.01373	2.0
60.83934	0.3
71.01373	2.4
73.02940	0.9
75.00861	0.6
79.95740	4.7
80.96514	1.5
85.02959	3.2
89.02451	0.6
95.95243	1.6
96.96013	83.9
97.02942	0.6
98.14814	0.5
99.00883	1.6
101.02476	0.5
101.07374	0.4
109.44008	0.4
129.01978	2.2
138.86409	0.4
138.97079	1.3
144.21219	0.4
150.97116	1.1
152.98633	1.1
168.98099	1.0
173.04617	0.7
176.98650	0.4
177.04048	5.1
180.98140	1.0
191.05577	1.2
194.99658	0.8
241.00226	3.2
256.99722	27.6
258.00052	0.4
387.51715	0.5
423.13336	0.7
495.19043	100.0
496.19290	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	14.8
59.01381	14.1
61.98835	17.4
64.50055	1.0
66.46187	0.9
67.01891	3.0
69.03440	1.5
71.01392	15.4
71.55382	1.1
72.99322	7.7
73.02943	1.6
75.32827	0.9
79.95725	1.0
83.01380	1.4
83.05027	1.9
85.02958	8.3
87.00876	4.8
88.26035	1.0
88.98818	1.7
89.02454	3.0
91.25380	0.9
93.03455	17.7
95.01386	1.5
96.95447	1.6
96.96017	16.4
97.02956	1.4
99.00878	1.9
99.03905	2.0
99.04522	27.9
101.02448	10.0
108.02177	1.2
109.02940	4.0
111.00901	4.3
111.04505	4.6
113.02437	2.7
114.91777	1.1
121.02969	1.2
122.03705	1.4
123.00931	2.1
123.11648	1.0
124.01658	2.6
125.02398	1.2
127.04027	2.2
133.02956	4.4
135.04509	11.5
137.02437	13.9
139.46284	1.1
146.03691	1.9
147.04541	1.8
149.02451	1.6
149.06046	1.5
151.00349	2.4
151.04062	1.0
155.03529	4.9
158.03717	2.8
159.04549	2.0
161.02568	7.8
161.04570	46.6
161.05899	2.2
164.01125	1.1
165.01979	2.3
171.10274	7.1
172.05376	2.0
173.04558	39.1
173.05952	1.7
174.03299	9.2
174.04742	1.6
175.03925	3.1
175.07649	2.4
176.01161	1.6
176.04755	1.6
177.01938	29.8
177.05551	4.0
178.02350	1.1
179.03514	9.5
185.06087	1.1
187.04045	2.0
187.07635	7.9
188.04892	2.5
189.05533	3.0
191.05615	100.0
192.05984	3.3
199.09808	1.7
201.05559	1.3
202.02734	19.0
202.06441	1.1
203.03404	1.5
203.07153	11.8
205.05150	5.0
206.05762	1.8
207.10249	2.2
217.05229	1.6
219.03052	1.0
219.06625	1.7
224.06853	1.9
225.11401	1.5
231.06604	4.3
233.06612	3.7
243.06523	1.3
247.04575	4.3
249.07683	61.3
250.07974	1.9
273.09915	1.6
292.03165	1.3
292.10468	1.2
293.04062	1.0
335.07056	2.9
335.10486	12.7
339.04904	1.1
353.08768	15.4
411.13321	2.3
426.86459	1.0
437.19977	1.9
445.74011	1.1
453.14078	1.5
461.20493	1.7
496.82950	1.0
497.12930	28.4
497.20193	12.1
498.13382	1.7
501.43265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06773	0.3
57.03447	0.6
59.01385	3.6
69.03466	0.5
71.01389	2.8
71.55569	0.5
72.59719	0.4
72.99305	0.6
73.02942	0.7
75.00867	1.2
79.95744	5.3
80.96526	0.8
83.01403	0.8
85.02958	3.7
89.02454	1.4
93.03430	0.4
95.95236	2.9
96.96014	72.2
97.02968	0.4
98.95597	0.6
99.00884	1.7
101.02433	1.6
111.00887	0.4
113.02484	0.9
115.03985	0.7
129.01932	1.6
129.02864	0.3
135.54060	0.4
138.97044	0.7
144.61731	0.4
150.97061	1.0
151.39864	0.3
152.98622	1.3
168.98151	0.6
173.83704	0.4
177.04039	4.5
180.98146	1.1
191.05612	5.0
194.99704	0.5
213.00606	0.4
225.00690	0.6
241.00215	4.1
245.37282	0.4
256.25931	0.4
256.99716	18.7
293.08762	1.0
395.13785	0.9
409.11987	0.4
424.31897	0.5
453.17798	3.9
461.19812	0.4
463.74643	0.5
469.47110	0.4
494.74527	0.7
495.19049	100.0
496.19327	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	493.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
57.03445	2.9
58.00597	2.0
58.43744	1.3
59.01377	100.0
60.01711	1.8
61.98827	2.9
71.01380	50.9
72.99311	4.5
73.02956	4.6
75.00884	2.4
79.95739	4.1
83.01405	3.3
85.02946	14.1
87.00884	3.0
87.04506	2.9
89.02447	43.6
93.03456	10.8
95.01403	2.0
96.96009	42.2
96.96603	2.8
98.95601	2.1
99.00879	3.4
101.02442	26.9
105.01935	7.6
109.02966	1.5
113.02453	19.6
114.69524	1.5
119.03494	16.7
119.05059	1.6
122.02748	1.3
123.04532	3.5
129.01952	1.9
131.03531	2.1
135.04512	1.5
137.02455	3.2
143.03516	5.3
149.04555	3.0
150.03282	1.7
151.00360	1.8
151.03989	1.7
152.01233	1.7
153.01968	2.2
161.04538	11.5
163.04004	1.7
166.02710	2.8
167.03503	5.8
173.04520	2.1
179.05598	10.7
181.05072	5.0
191.05562	9.1
193.05194	2.3
209.04604	4.3
213.21921	1.5
241.00369	3.9
244.06334	1.6
269.06711	2.1
271.19040	7.3
274.04678	1.6
385.41919	1.6
433.24371	95.0
434.24756	4.2
449.15015	2.0
461.10913	2.6
493.17728	65.0
494.17822	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	493.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
57.03450	3.4
58.00588	2.2
59.01381	100.0
61.98832	2.6
69.03461	1.3
69.25599	7.3
69.26006	2.1
71.01382	47.9
72.99301	2.7
73.02959	9.3
79.95737	3.3
81.03465	1.1
83.01395	4.0
85.02955	17.1
87.00903	5.2
87.04536	1.9
89.02449	50.2
93.03475	2.2
94.36289	1.5
95.01399	4.3
96.96016	99.9
97.02983	2.5
98.15234	0.9
99.00862	3.0
101.02446	34.0
103.04016	1.5
108.02199	1.9
109.02928	1.1
111.00901	1.8
113.02454	24.9
119.03510	19.6
119.04880	2.2
121.02993	6.5
125.02448	1.9
129.10374	3.1
131.03519	4.2
133.02904	2.0
135.04533	6.7
138.01950	1.2
143.03537	6.5
146.06111	1.2
147.11754	1.2
149.04556	1.9
152.98708	1.9
159.03055	1.9
161.02429	4.6
161.04556	13.3
163.03972	1.8
167.05724	2.4
173.04509	3.0
179.05609	20.8
180.98187	1.5
186.12476	10.3
191.04071	1.3
191.05615	7.6
209.04549	9.9
224.12860	2.2
241.00258	4.0
271.19220	6.1
315.18164	8.4
333.19235	10.6
333.22147	0.9
345.19025	1.6
363.20374	22.9
433.24423	76.6
434.24756	5.6
461.20255	3.0
475.18094	1.3
493.17505	72.3
493.23251	9.0
494.18118	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	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94604	0.7
55.01866	1.1
57.03444	1.1
58.00598	1.9
59.01381	69.8
61.98824	1.1
69.82165	3.5
71.01382	38.1
71.29140	0.8
72.99308	2.9
73.02943	2.9
79.95746	3.1
80.96516	1.1
83.01387	2.4
84.21558	0.8
85.02942	10.5
85.53067	0.7
87.00877	2.4
87.04519	3.5
89.02446	45.7
93.03468	0.9
95.01395	3.0
96.96013	67.5
99.00874	1.6
101.02443	27.4
108.02169	0.8
111.16599	0.9
113.02450	16.2
119.03503	20.6
122.99607	0.9
125.02478	0.9
131.03496	2.2
135.04503	0.8
138.97037	1.1
143.03474	5.9
149.04541	2.0
150.74376	0.7
150.97075	1.2
152.98653	1.9
159.02968	1.0
161.02408	1.7
161.04564	10.7
166.35136	0.8
179.05612	22.5
180.98134	2.3
185.11748	0.9
189.62236	0.7
191.05652	3.0
198.99237	0.9
241.00249	9.3
271.19220	5.5
433.24387	54.4
434.24850	3.5
493.17520	100.0
494.17783	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	493.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48217	2.8
59.01367	8.3
61.98833	27.1
77.00555	2.6
82.91499	2.5
84.12767	2.9
107.01333	2.3
110.00954	2.8
113.09719	8.3
181.12363	2.8
182.68335	2.9
197.11934	3.6
209.11829	15.7
211.13358	3.2
212.18616	2.8
293.21234	100.0
294.21429	4.1
325.23810	32.4
493.25568	32.7
494.26743	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
57.03452	1.4
59.01386	36.9
61.98831	3.2
71.01392	20.5
72.99317	1.8
73.02958	2.5
78.39715	0.7
79.95748	2.7
80.96532	2.1
83.01383	2.0
83.81135	0.9
85.02973	6.6
87.00879	2.1
87.04523	1.0
89.02450	19.3
93.03459	6.0
95.01427	1.0
95.95267	0.8
96.96019	75.0
99.00876	0.8
101.02457	12.8
106.71693	0.8
109.02921	0.9
111.00872	1.0
113.02451	8.2
119.03498	8.3
121.02932	0.9
125.02427	0.8
131.03574	0.9
135.04527	1.6
137.02472	13.2
138.02797	0.7
138.97105	1.6
143.03508	2.4
152.98659	1.4
159.10243	1.7
161.02483	1.8
161.04558	7.1
179.05653	7.2
180.98116	2.0
185.11801	0.8
191.02026	1.1
191.05655	4.7
241.00270	6.5
271.19296	1.6
321.15448	3.7
363.20544	1.5
433.18481	1.3
433.24435	25.8
434.24701	1.5
469.08850	0.9
493.17538	100.0
494.17950	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	493.175
Annotation	WZ4002
Peak:m/z	Relative Intensity
53.87474	0.3
58.96320	0.3
59.01384	1.0
69.83897	1.1
69.84312	0.5
71.01373	1.1
73.02937	0.4
79.95737	3.3
80.96515	1.3
83.01375	0.5
85.02946	1.0
87.00883	0.4
93.03454	0.7
95.95253	0.4
96.96011	74.0
99.00890	0.3
101.02448	1.6
111.00935	0.3
113.02444	0.5
116.59268	0.3
119.05087	0.3
121.02965	0.4
122.60128	0.3
122.97543	0.6
123.02042	0.2
125.02676	0.2
135.04494	0.5
138.97076	1.2
143.03517	0.3
150.97092	0.9
152.98657	2.5
173.04601	0.3
180.98111	2.9
191.05634	0.8
198.99115	0.5
241.00220	12.3
259.01105	0.4
312.94339	0.3
317.56995	0.3
477.77423	0.3
493.17474	100.0
494.17786	5.6
496.34723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
57.00787	0.8
57.03445	1.6
58.00581	2.8
59.01379	73.6
60.99310	0.8
61.98828	25.5
65.73701	0.9
69.03455	1.4
70.67471	2.5
71.01379	56.2
72.99292	3.0
73.02560	1.0
73.02946	16.1
75.00876	0.9
83.01389	1.1
85.02951	6.6
87.00866	3.0
88.98785	5.2
89.02444	100.0
93.03455	1.3
95.01425	0.9
96.20721	1.0
96.96007	13.8
96.96954	1.0
97.02995	1.2
99.00880	30.0
101.02437	41.0
106.31219	0.8
113.02440	7.5
113.59460	0.8
114.64067	0.8
119.03543	4.3
121.02975	1.1
125.02423	5.9
131.03493	16.6
137.09676	2.0
138.01958	2.4
143.03499	2.8
149.04550	62.3
161.04514	4.5
163.61458	0.9
168.91776	1.0
181.08745	2.2
191.05617	17.6
199.09746	2.7
221.06599	4.4
251.07686	7.9
261.44305	1.2
269.09314	1.2
293.08786	3.6
311.09839	2.2
410.10773	1.0
415.19775	2.1
431.19220	11.0
433.24304	1.1
449.20581	4.2
463.18271	2.7
475.18445	1.0
493.19275	55.1
494.19577	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	493.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18257	1.4
59.01383	29.8
60.99314	13.5
69.03466	2.7
71.01385	22.9
71.55591	2.3
72.99310	6.7
73.02946	2.6
75.00888	1.7
78.95902	16.2
79.95747	3.2
80.83807	1.7
85.02969	2.6
87.00867	2.8
88.00419	4.1
88.98811	100.0
89.02451	68.0
90.01976	2.9
95.01408	1.5
96.96007	97.3
96.96962	33.7
97.02961	3.3
99.00874	5.5
100.63696	1.6
101.02439	7.1
113.02439	3.2
116.92866	3.1
117.01935	1.7
119.03516	1.6
120.63077	1.4
124.01661	4.1
125.02488	12.3
127.03940	1.9
131.03485	2.8
135.03006	2.0
135.04568	2.1
139.04012	2.3
149.04599	3.3
161.04512	2.2
191.05585	2.5
199.17581	1.5
233.06621	6.7
241.07138	1.5
293.08759	27.3
309.66107	1.4
386.49487	1.8
418.07608	1.8
433.13574	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
55.52589	0.8
57.03439	1.0
59.01381	20.9
61.98826	4.5
67.03017	0.8
69.03460	13.6
69.48261	2.0
69.48665	6.1
71.01382	12.6
72.99315	2.0
73.02946	3.2
74.91405	1.3
75.00853	1.1
79.05507	1.2
79.95723	2.1
80.96488	0.8
81.03489	1.2
83.01383	1.4
85.02946	6.1
87.00877	3.7
88.98812	2.9
89.02453	8.7
92.02673	0.9
93.03463	43.4
94.03814	1.0
95.01388	2.7
95.05026	3.9
96.95377	2.3
96.96016	47.0
97.02955	9.2
99.00887	1.4
101.02444	10.4
105.03448	1.6
107.05035	2.7
108.02183	4.8
109.02958	1.2
112.39934	1.1
113.02451	12.5
119.03499	2.9
121.02945	2.2
121.06603	5.9
123.04532	41.8
134.03761	1.3
135.04539	4.5
136.01660	17.2
137.02452	100.0
138.02745	1.7
142.92271	1.1
143.03468	1.6
148.11171	1.0
149.02481	2.7
149.04816	1.6
149.06055	12.9
151.04021	9.6
152.98708	1.5
161.02417	1.4
161.04581	2.3
165.05426	1.2
167.07143	11.8
173.04474	1.3
179.03500	69.7
180.03873	1.5
185.20401	1.1
191.05647	5.8
193.05067	9.5
209.04552	22.4
211.06096	3.3
221.04367	1.2
233.04576	1.3
239.05608	70.7
240.06021	2.1
241.00247	4.7
281.06668	31.5
299.07733	26.2
347.91013	1.0
433.24426	4.8
449.14340	3.7
493.12759	25.0
493.17627	42.2
494.17795	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	493.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49205	0.8
57.03420	1.1
59.01377	9.9
60.99313	16.5
61.98850	6.7
68.16454	0.8
69.03475	0.8
69.67497	1.5
69.67905	3.4
71.01379	5.7
72.99320	0.9
73.02953	1.3
83.01390	0.9
85.02941	1.8
87.00861	2.5
88.00405	3.7
88.98809	100.0
89.02444	45.5
90.02792	0.7
96.96017	2.6
99.00883	1.9
101.02440	4.6
113.02422	1.6
119.03498	2.0
120.99622	1.0
121.02934	0.9
125.02430	1.2
139.07629	2.4
140.07150	1.4
148.90939	1.4
149.04547	2.7
161.02423	2.0
191.05547	2.4
295.11877	1.2
301.57739	0.9
332.14798	1.0
393.12912	1.0
418.80228	0.9
457.16968	2.0
493.19287	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	491.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
57.03447	0.1
58.00601	0.2
59.01379	3.5
63.40359	0.1
65.98843	0.1
69.03471	0.1
70.68035	0.1
70.68378	0.1
71.01382	3.0
72.99306	0.2
73.02943	0.8
78.95940	0.1
81.03444	0.1
83.01376	0.5
83.91576	0.1
85.02953	0.7
86.00103	0.1
87.00874	0.5
89.02445	2.7
91.04019	0.2
95.01399	0.2
97.02943	0.1
99.00884	0.2
101.02444	3.5
103.04014	0.1
113.01720	0.1
113.02459	1.6
115.03980	0.2
119.03509	0.9
125.02483	0.1
131.03456	0.1
133.05066	0.4
143.03535	0.4
145.05055	0.1
149.04576	0.1
152.99614	0.1
157.05052	0.2
161.04547	1.3
179.05589	0.4
232.18869	0.1
235.05934	0.1
235.08199	1.6
235.10400	0.1
237.22177	0.1
253.09285	12.2
254.09564	0.3
255.23282	100.0
256.23621	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	492.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.2
69.37136	0.8
69.37540	3.0
71.01382	4.9
73.02948	1.2
78.95874	0.4
83.01397	0.4
85.02962	1.4
87.00873	0.7
89.02441	5.7
93.03484	0.7
93.52469	0.4
96.96011	1.8
101.02418	2.2
103.25347	0.4
108.02164	2.2
112.48999	0.4
113.02425	1.2
123.03259	6.4
125.02472	1.6
127.03971	0.5
131.03525	2.0
138.01982	40.5
138.05612	100.0
139.02266	0.6
139.05943	1.3
149.04578	2.0
150.92615	0.4
157.70189	0.4
161.02386	0.7
161.04556	0.7
180.06660	1.2
191.05594	2.5
192.06059	0.5
195.73076	0.4
229.21744	0.4
233.06664	0.9
241.07085	0.6
242.07567	0.6
293.08765	4.9
300.10904	2.3
432.15088	37.2
433.15411	1.7
492.17688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03457	1.3
59.01382	100.0
61.98835	2.2
71.01382	15.9
71.55360	0.9
72.74928	0.6
72.99316	0.8
73.02966	5.2
75.00862	1.5
79.95743	1.2
83.01407	1.8
83.05032	2.0
85.02950	6.4
87.00883	2.7
87.04526	1.6
88.95970	0.7
89.02441	9.4
90.86646	0.6
93.03450	3.7
95.01418	0.6
95.05050	0.7
96.96014	9.4
99.00905	1.8
101.02446	12.0
103.00409	2.5
103.04031	0.9
109.06605	1.0
113.02460	6.9
119.03539	2.7
119.05038	1.0
121.02989	1.2
122.39948	0.8
125.02490	0.9
131.03467	1.1
133.02991	2.8
135.04549	3.5
135.08185	4.5
137.02473	1.5
143.03557	1.4
145.02998	1.0
152.01193	0.6
152.07234	0.9
153.09222	3.6
159.03075	1.4
161.02477	8.3
161.04517	4.0
173.04553	0.9
179.03552	1.4
179.05664	1.8
185.68082	0.7
191.05615	11.4
191.07150	0.9
192.06104	1.0
197.08266	1.3
197.11876	1.0
249.80276	0.6
257.00003	1.2
269.17532	7.5
281.15149	0.7
323.07877	1.0
357.14789	1.4
371.20786	0.9
389.21869	1.5
403.18292	2.4
431.22836	63.4
432.23282	3.0
447.12778	1.2
459.22095	0.7
491.16858	15.7
491.24936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2664
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.44270	0.6
54.81207	0.7
55.25606	0.6
66.03479	1.3
70.02560	0.6
71.02506	3.0
71.53754	0.9
71.54136	0.8
82.01707	0.8
85.30918	0.7
90.81252	0.8
97.11113	0.7
98.01266	0.9
104.28163	0.7
115.08756	10.3
116.05008	1.8
117.23531	0.7
118.06628	3.2
125.07216	3.3
126.05620	1.4
126.73850	0.7
141.06721	4.2
146.06122	8.8
152.08284	1.4
153.06725	1.3
163.08754	1.1
168.07687	1.1
169.13474	0.9
170.09344	3.4
173.07147	0.9
174.05783	0.8
179.11893	3.3
200.10751	1.3
202.12379	0.8
206.76982	0.7
212.88193	0.7
214.15625	3.6
217.13338	1.7
227.11906	2.4
228.10258	2.6
245.12943	2.2
248.10789	1.3
262.15625	3.1
269.16165	0.9
276.10309	0.9
283.17984	0.9
326.18716	4.8
344.19714	2.0
416.46780	0.8
491.26660	100.0
491.33029	4.1
492.26917	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	491.278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60452	20.7
59.01374	41.8
61.98828	24.8
68.69552	22.6
71.53597	20.9
81.77653	19.6
120.53575	23.6
129.23451	18.6
146.02026	26.4
152.62520	21.4
157.86310	20.7
216.00519	20.3
256.03067	21.6
491.37378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31070	0.4
59.01369	1.4
59.44724	0.5
62.97776	0.4
67.01908	0.6
68.99825	0.8
70.88220	0.8
71.01379	0.8
73.85127	0.4
83.39433	0.4
87.00878	100.0
88.00401	3.5
88.01231	1.1
89.02438	0.9
101.02445	1.3
111.08587	0.4
127.04016	2.5
196.08858	0.4
223.05933	0.5
234.65488	0.4
241.07208	3.4
242.73552	0.4
403.12735	0.7
512.45557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56432	1.5
52.64632	1.6
52.82289	2.1
55.01867	2.1
58.49297	1.8
59.01380	59.4
61.98829	6.6
64.52099	1.8
67.01885	15.2
68.99818	14.0
71.01379	43.5
71.54461	2.7
71.54881	1.7
72.99302	2.3
73.02943	11.0
75.00858	2.8
81.03462	2.3
83.01392	3.7
85.02955	16.2
87.00876	36.7
88.00425	1.8
88.98818	5.2
89.02454	27.6
93.03460	15.2
96.96010	7.0
97.02926	2.1
99.00906	6.0
99.04524	5.7
101.02445	64.2
103.04005	6.9
107.05015	2.3
109.02946	7.5
112.01664	1.8
113.02440	12.1
117.03461	2.6
119.03513	10.8
119.05038	2.4
120.99699	3.1
121.02041	2.4
121.02961	58.4
123.04527	100.0
125.02409	10.6
127.04013	77.8
133.02983	4.6
135.04439	2.6
137.02423	3.0
139.04002	2.1
143.03491	4.7
145.02972	5.4
149.02435	1.9
149.04472	2.7
154.48965	1.8
161.02457	44.6
161.04507	11.2
161.05899	3.1
163.04025	3.9
163.06137	11.1
165.01895	2.0
165.05537	3.7
177.05554	5.4
179.05617	3.1
181.04968	1.8
191.03508	17.2
191.05594	10.1
193.05049	11.1
195.23459	2.0
197.04576	3.4
223.06172	10.7
233.91856	1.8
241.07173	99.4
242.07474	2.4
246.51534	1.7
269.10379	9.4
307.10410	20.7
371.09882	2.6
391.12360	3.2
403.12326	20.0
431.15652	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	491.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58102	0.8
55.13852	0.9
59.01384	33.9
59.36821	1.0
60.99306	1.6
61.98832	1.2
66.10352	0.9
66.13511	1.0
67.01891	6.3
68.99823	5.7
69.03429	1.0
69.42822	4.7
69.43242	2.2
71.01385	19.4
71.45078	0.9
72.79995	1.0
72.99303	2.4
73.02969	2.6
81.03452	3.2
83.01385	1.3
83.05029	5.0
85.02968	7.4
87.00879	3.0
88.98816	10.8
89.02451	22.3
96.36082	1.0
96.96015	1.4
97.02974	2.2
99.00879	2.4
99.04523	1.6
101.02450	26.7
105.89386	1.0
107.05030	2.1
109.02955	8.1
113.02446	8.7
119.03522	8.5
119.05012	2.7
121.02976	4.9
121.06629	6.1
123.04523	5.9
127.04017	39.6
127.78719	1.0
133.02962	2.0
135.04529	1.8
137.02400	1.2
137.61653	1.0
139.03986	1.3
141.05612	1.1
143.03514	2.4
149.06084	10.4
161.02441	3.9
161.04584	3.4
167.03473	3.2
167.07149	12.4
177.05566	2.2
179.05605	2.9
185.08224	8.2
191.03508	5.1
191.05418	2.3
193.05037	5.4
197.04614	1.4
211.06105	2.6
211.41165	1.1
223.06114	5.3
229.07225	7.2
241.07176	40.6
269.10214	1.5
284.74255	1.0
391.12463	100.0
392.12787	5.3
403.12473	8.3
431.15472	3.6
491.13931	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	489.3591
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
57.03460	0.4
59.01386	2.7
71.01386	0.9
72.58433	0.4
73.02951	0.6
85.02950	0.4
87.04535	1.0
89.02478	0.4
96.78255	0.5
96.95988	0.6
111.08152	0.4
171.48334	0.4
178.10414	0.4
197.11833	0.8
295.08807	0.6
309.10294	1.5
309.20905	1.3
375.66556	0.4
407.17651	1.4
471.34827	1.5
489.36029	100.0
490.36349	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	491.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01384	5.6
59.65053	0.3
62.96729	0.3
67.01881	0.5
67.10145	0.2
70.29279	0.6
70.29632	0.7
71.01394	1.3
72.73340	0.3
72.99343	0.3
73.02940	0.5
75.00883	0.4
76.15108	0.3
79.95739	3.5
80.96512	1.9
83.01378	0.3
85.02942	1.1
85.27627	0.3
86.66943	0.3
87.00883	0.7
93.03465	0.4
94.98088	0.3
95.95190	0.5
96.96012	100.0
98.19988	0.3
99.00896	0.5
101.02448	0.9
103.00375	4.6
111.00881	7.8
115.60905	0.3
122.97538	0.6
127.89117	0.3
134.97597	1.4
138.97115	1.5
148.05307	8.5
148.29129	0.3
149.05774	0.4
150.97021	0.6
152.97441	0.5
152.98625	4.3
161.52753	0.3
163.07657	3.8
164.98662	0.6
166.96524	0.4
173.00873	0.6
180.98094	1.3
191.05666	0.7
194.99664	0.5
213.00963	0.3
222.99007	0.7
237.14903	1.2
241.00229	25.5
283.01257	3.5
355.98846	0.3
387.07678	0.4
405.08575	36.7
406.08911	1.4
447.09625	27.9
448.10117	1.4
473.07745	1.6
490.26752	0.3
491.08643	15.9
491.28436	0.6
492.08685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99212	0.8
59.01386	14.7
60.99311	13.8
61.98840	3.2
68.99828	1.6
70.80199	1.1
71.01398	7.1
71.54852	1.3
72.99302	1.3
73.02962	1.3
75.00857	2.0
84.79447	0.9
85.02958	4.2
87.00879	3.3
88.98814	100.0
89.02415	5.1
93.03489	5.2
96.96028	7.0
99.00911	1.4
99.04522	1.0
101.02457	7.2
105.01933	4.0
108.02197	1.2
109.02934	1.4
111.00868	1.3
113.02462	3.1
119.03490	1.6
120.99628	1.0
122.02451	2.3
122.06136	1.5
133.02972	1.3
135.04527	2.7
136.04001	2.2
137.02451	2.6
146.03540	0.9
149.02354	1.2
152.01152	1.3
152.07176	2.9
153.09196	1.1
161.02458	3.8
161.04558	1.8
173.04578	2.2
179.03590	1.3
179.05594	1.4
191.05644	13.6
192.06653	1.4
192.23615	0.9
219.25487	1.0
224.24486	0.9
321.78696	1.1
357.14743	3.0
375.12527	1.2
431.22803	3.7
447.29965	1.0
491.17761	2.3
492.11319	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15267	1.3
53.89253	1.4
59.01377	79.6
61.98820	3.6
67.01878	13.4
68.99812	11.9
69.03455	3.8
70.13966	3.4
70.14359	3.4
71.01382	36.9
72.99287	4.7
73.02944	12.8
75.00870	2.0
81.03459	6.4
83.01397	5.7
83.05032	4.0
85.02940	7.8
87.00878	4.3
88.98801	1.5
89.02438	35.7
91.34276	1.6
93.03435	2.4
95.01401	2.9
95.05042	2.0
96.96011	1.7
99.04512	3.9
101.02444	49.2
104.50032	1.5
107.05037	4.1
109.02938	10.7
113.02448	13.5
117.03506	2.2
117.05579	4.6
119.03508	12.2
121.02946	6.7
121.06596	3.6
123.04529	4.6
125.02421	1.4
125.06077	3.2
127.04008	65.2
131.03496	3.1
133.02953	2.2
135.04585	2.5
137.02463	1.6
139.04007	2.1
143.03482	3.6
145.02943	3.6
149.02396	2.1
149.04651	2.0
149.06070	6.2
151.04037	1.6
151.07610	11.2
161.02432	10.0
161.04538	4.2
163.04071	1.6
165.05527	2.8
167.03471	4.0
167.07155	4.4
169.08676	12.3
177.05560	4.1
178.81810	1.4
179.05602	6.9
181.05144	1.9
181.12152	1.4
185.08144	4.0
191.03506	10.8
191.05539	4.4
193.05023	11.2
193.06412	1.3
195.06621	4.2
205.05141	3.1
208.05550	1.4
211.06146	3.3
213.07661	7.7
223.06140	11.4
229.07065	3.8
232.99506	1.4
241.07170	100.0
242.07486	4.5
245.26855	1.5
269.30743	1.5
297.03406	2.1
373.11472	2.0
375.12921	53.4
376.13083	2.4
391.12201	3.1
403.12421	25.4
431.22849	2.2
433.13412	19.0
433.18820	2.2
473.12888	1.7
491.17865	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	489.322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.2
70.41232	4.4
70.41817	2.2
72.71854	1.4
97.26791	1.8
101.18134	1.8
140.76245	1.5
175.28435	1.6
224.49654	1.7
231.66241	1.8
429.30075	100.0
430.30405	6.6
489.25766	4.4
489.35355	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	489.3583
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
51.24529	0.2
56.24078	0.2
57.03455	0.2
65.59624	0.2
71.53265	0.3
72.21981	0.2
73.02953	0.5
136.31230	0.2
175.59096	0.2
185.43889	0.2
427.28488	0.4
459.71371	0.2
471.35056	0.7
489.36096	100.0
490.36368	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	489.3583
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
59.01380	2.3
61.98832	0.6
63.80410	0.4
71.01372	1.3
71.30552	0.5
71.55855	0.6
71.74849	0.5
73.02950	7.8
73.68188	0.4
84.20094	0.6
92.37928	0.4
116.85715	0.4
138.28059	0.5
180.09665	0.5
253.21654	0.7
382.90759	0.5
415.31812	0.6
429.30161	0.9
471.35117	2.4
489.35889	100.0
490.36310	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	489.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01381	0.6
69.70953	1.4
69.71239	0.4
71.01386	0.6
73.02941	0.5
98.20658	0.2
240.54381	0.2
251.71516	0.2
431.28329	0.5
471.34851	0.7
489.35886	100.0
490.36227	8.0
490.43030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01380	11.8
65.81061	0.9
70.55453	2.9
71.01377	8.2
72.99319	1.1
73.02940	2.4
85.02930	1.8
85.19109	0.8
85.95889	1.0
87.00864	3.4
89.02451	7.9
93.03461	1.5
95.01347	1.1
96.95998	2.4
101.02451	5.6
103.04017	1.6
113.02464	3.3
117.03463	2.0
119.03452	1.7
132.02170	12.6
133.05069	1.2
134.03738	39.5
134.34378	0.8
137.02483	1.9
147.04440	1.5
149.06042	6.2
151.06102	4.1
160.01662	65.3
161.02225	2.7
161.04601	1.3
163.03918	0.9
173.04430	1.0
175.03996	81.5
176.04683	6.1
179.03441	1.1
191.05592	5.2
191.07166	8.2
193.05054	54.0
194.05449	1.2
197.86948	0.9
207.06628	3.5
220.03798	1.1
227.03555	0.9
235.06093	21.7
251.83339	0.9
255.03062	1.8
265.07135	3.7
269.04294	1.3
284.03503	1.1
295.08102	5.4
297.03940	1.0
307.08374	1.0
337.09369	1.6
355.10394	1.4
433.11148	0.9
489.16159	100.0
490.16290	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	489.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52031	0.1
57.03450	1.7
59.01377	1.1
67.01895	2.8
71.01402	0.6
71.55057	0.1
73.02931	0.1
77.78554	0.1
81.60622	0.1
83.01403	0.4
84.26889	0.1
85.02949	0.9
87.00878	6.9
88.01214	0.1
89.02449	0.1
89.21122	0.1
93.03481	0.3
96.96007	0.3
98.36908	0.1
99.00873	0.1
101.02437	0.4
111.00884	100.0
111.35509	0.1
112.01223	1.3
113.02447	0.4
116.45096	0.1
130.99794	0.1
135.04543	0.2
151.51727	0.1
154.99854	0.4
161.02466	0.2
173.00912	10.6
174.01285	0.2
191.05673	0.7
217.08665	0.2
248.11226	0.1
255.03078	0.1
256.62683	0.1
284.03342	0.2
327.21655	0.2
345.29776	0.1
365.13956	0.3
427.40015	0.1
489.19733	0.7
489.27164	1.0
489.34436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60551	0.4
56.10112	0.4
59.01378	100.0
60.01712	0.5
61.98837	1.2
64.70083	0.3
67.44723	0.4
68.99810	2.3
69.03451	0.4
69.33632	2.3
69.34042	1.0
70.39709	0.3
71.01385	5.4
72.41045	0.4
73.02952	1.4
74.89371	0.3
75.00871	1.6
77.54137	0.4
79.95758	0.7
80.96514	3.7
82.37990	0.4
83.01413	0.4
83.05048	0.5
85.02961	1.6
87.00870	0.9
89.02446	3.2
93.03470	1.3
94.98093	1.2
95.01371	0.6
96.95996	2.4
99.00872	0.5
101.02450	8.8
107.05057	0.6
109.02973	0.4
113.02469	1.6
117.05607	1.4
119.03517	0.8
121.71259	0.4
123.04515	4.8
125.02481	0.6
131.03551	0.6
137.02464	0.4
139.04018	0.8
143.03554	0.4
147.04535	0.8
149.04588	1.2
151.07700	1.1
152.04813	0.8
161.04573	1.1
163.03906	0.4
164.98640	0.6
167.07126	0.6
169.08743	0.9
171.10329	1.1
173.04692	0.6
185.68011	0.4
189.12769	0.4
191.05609	4.1
207.06709	0.7
207.13954	0.5
213.07744	0.8
225.00775	1.0
225.07675	4.3
243.01852	0.5
248.72231	0.4
307.14145	1.5
334.56369	0.4
375.12759	2.6
429.21265	1.0
451.25470	3.0
471.15488	3.1
489.16531	8.2
489.23141	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	489.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03766	1.7
55.01863	2.0
57.03427	1.7
59.01377	46.7
67.01884	10.9
67.65138	1.7
68.99827	9.2
69.03467	11.0
69.19651	11.8
69.20081	5.3
69.80437	1.8
71.01008	2.4
71.01386	39.7
71.45925	1.4
72.99292	3.1
73.02930	7.8
79.12415	1.7
81.03450	3.5
83.01379	2.4
84.95112	2.0
85.02958	11.4
85.20834	1.5
87.00883	12.1
87.04521	2.6
89.02447	95.9
93.03454	3.6
95.01397	2.5
95.05025	6.5
96.95992	5.4
97.02975	11.3
99.04486	2.0
101.02438	38.4
106.04267	1.8
107.05032	2.1
108.02166	5.4
109.02937	6.0
112.90408	2.0
113.02454	19.1
117.03528	2.1
119.03514	13.1
119.05005	4.0
121.02944	3.9
121.06604	18.9
123.04527	70.4
127.03153	3.3
127.04020	43.1
131.03516	4.3
131.05006	3.7
133.02908	4.0
133.05072	67.7
133.06580	3.0
134.03726	9.4
135.04503	4.3
143.03467	3.8
145.02934	4.4
149.06070	32.7
151.03981	6.3
156.35007	1.7
161.02457	8.6
161.04575	10.9
165.05486	2.5
167.07153	18.7
173.04559	3.3
177.05515	3.4
179.05638	8.9
191.03651	9.8
191.05554	10.9
193.05054	100.0
194.05313	3.6
205.05055	3.6
211.06052	5.3
223.06067	9.3
241.07167	24.4
355.05853	2.6
355.10278	17.0
373.07037	3.1
373.11389	44.0
385.11322	3.7
388.84360	1.8
392.86600	2.2
445.13437	8.8
489.15952	5.3
489.22491	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	489.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04160	1.3
57.03444	3.2
58.66949	1.2
59.01376	20.6
61.41118	1.2
70.54679	1.8
70.55020	3.5
71.01381	97.4
72.99303	28.6
75.00859	1.5
78.95892	4.9
80.36981	1.6
80.83108	1.2
84.95113	2.7
85.02963	2.7
86.16576	1.2
87.00876	33.3
89.02439	16.2
95.01360	1.5
96.96016	19.7
96.96941	9.1
98.95552	1.6
101.02435	5.3
113.02458	4.8
115.00367	30.0
115.65791	1.2
119.03506	3.8
123.04539	2.2
129.01955	9.2
133.01418	1.9
143.03485	1.6
147.02989	100.0
147.06598	2.9
148.03362	1.5
161.04521	2.7
179.05597	5.7
183.04778	2.3
191.05542	1.7
341.10864	32.2
356.19604	1.5
489.05643	3.3
489.13312	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
58.26778	1.0
59.01379	15.1
59.93333	0.9
67.98207	0.9
69.19913	10.1
71.01386	92.5
71.33344	0.9
72.96053	1.0
72.99316	24.9
73.02955	1.1
77.90784	1.1
78.95892	1.6
85.02964	3.4
87.00883	35.2
89.02444	13.2
96.96973	3.4
98.19888	1.6
101.02441	4.7
104.46490	1.1
113.02450	2.9
115.00382	27.6
119.03524	4.9
122.31608	1.1
129.01942	10.5
133.01439	1.8
141.42339	1.0
146.04596	1.9
147.03003	100.0
147.06618	5.1
148.03302	1.3
161.04546	1.8
179.05606	6.9
191.05663	6.8
193.05057	2.1
238.97717	1.2
250.21812	1.0
265.13901	1.4
341.10886	32.6
391.12668	1.3
471.32855	1.0
478.57166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	5.9
59.01383	65.6
67.01888	17.0
68.99815	13.5
69.03448	12.9
70.08500	2.9
71.01385	46.2
71.23872	3.9
71.24212	6.0
73.02959	9.5
79.52445	3.3
84.95140	4.3
85.02950	12.0
87.00886	16.6
89.02447	100.0
93.03442	7.3
95.05013	3.9
96.96016	8.8
96.98616	3.8
97.02957	11.2
99.04522	4.0
101.02464	53.8
105.03424	3.8
108.02168	4.0
109.02967	13.8
113.02448	21.6
119.03496	11.5
121.02991	8.1
121.06594	14.9
123.04533	63.3
127.04023	80.3
133.02946	7.9
133.05078	72.5
134.03767	15.8
135.04616	5.8
136.01631	5.7
149.06068	41.3
151.04013	8.3
161.01195	4.6
161.02417	20.7
161.04546	11.6
167.07108	10.6
173.02386	4.0
177.05551	4.6
179.05591	7.3
191.03497	22.3
191.05620	16.6
193.05072	87.7
211.05962	7.2
222.84438	3.1
223.06184	19.3
223.13831	3.4
241.07227	50.3
305.91882	3.5
355.10355	13.5
373.11435	48.8
398.91882	3.3
445.13556	8.4
489.14996	11.9
492.21014	3.7
510.21741	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	489.1037
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01379	2.3
59.66668	0.3
61.77851	0.3
65.00318	0.5
65.81870	0.4
69.45745	1.5
69.46157	0.9
74.61154	0.4
77.39799	0.3
82.29581	0.3
85.02986	0.5
87.57359	0.4
91.01897	0.4
93.03471	1.4
95.01397	0.4
96.96054	1.2
101.02449	0.6
101.71733	0.3
102.19481	0.4
107.01386	2.1
109.02928	0.5
113.63122	0.3
132.02216	1.6
135.00876	1.3
137.02483	0.5
141.07129	0.5
151.00357	2.0
159.04443	0.6
161.02362	0.6
163.00395	1.9
164.01172	1.0
167.05038	0.5
171.04491	0.5
173.04652	0.4
183.04524	0.6
185.02432	0.6
185.06065	1.0
187.04013	1.4
189.05516	0.5
191.05562	2.3
195.04506	0.5
199.03966	0.8
201.05597	0.5
211.03911	2.1
213.05580	1.0
227.03494	32.4
228.03876	1.6
229.05048	5.3
239.03503	1.5
241.05104	0.9
255.02989	67.5
256.03598	5.5
257.04614	3.4
282.52414	0.4
283.02460	1.0
284.03259	100.0
285.04028	58.2
286.04388	2.1
306.65533	0.4
307.40918	0.4
327.05103	0.7
423.92413	0.4
429.08310	4.2
430.08386	0.4
439.87375	0.4
447.09140	1.6
489.10352	58.6
490.10883	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	489.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02988	1.2
54.13159	1.4
58.66317	1.7
59.01383	29.8
59.01681	1.7
68.99821	3.5
69.03456	13.0
69.87861	1.4
71.01381	50.7
72.99311	15.9
79.05532	1.8
82.95445	3.7
83.01406	2.2
84.95123	30.1
85.02962	7.0
87.00889	6.4
89.02448	29.7
93.03455	3.2
95.01395	2.5
95.05040	3.9
96.96024	4.2
97.02961	13.8
99.00880	2.0
101.02444	17.3
101.95724	1.2
104.27763	1.4
104.33807	1.2
105.03491	1.5
106.04229	3.3
107.05030	3.9
108.02213	2.9
111.00896	1.4
112.06480	1.3
113.02444	15.0
115.00362	6.9
115.72157	1.4
119.03516	9.9
119.05011	2.8
121.03011	1.3
121.06608	14.3
123.03622	3.0
123.04534	62.2
131.03528	1.8
131.05032	1.9
134.03746	9.4
143.03519	2.9
149.06085	27.1
151.04013	2.3
157.01425	1.6
161.04604	6.7
163.04112	2.0
165.05528	1.9
167.07147	18.9
179.03415	1.3
179.05623	13.4
179.10452	1.4
179.33008	1.4
191.05602	2.5
191.07257	2.7
193.05060	100.0
194.05394	1.8
195.16110	1.4
204.33192	1.5
211.06126	4.3
233.91634	1.5
293.70303	1.7
327.10767	1.5
341.19839	1.7
373.11401	63.6
374.11786	3.2
457.04471	1.5
471.11356	4.3
489.11819	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	489.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12880	0.4
57.03427	0.4
59.01371	1.7
59.84056	0.3
66.52196	0.3
71.01373	0.7
74.61674	0.3
78.95902	7.5
79.95729	2.6
83.05024	0.5
84.95101	0.4
85.02970	0.4
87.05175	0.4
89.02435	0.7
93.36149	0.4
96.96012	100.0
96.96925	13.2
101.02424	0.6
127.04090	0.3
149.06117	0.6
158.86774	0.3
163.03815	0.3
167.07152	0.9
180.83647	0.5
181.27312	0.4
185.08200	0.5
222.54420	0.3
235.22177	0.3
391.12485	9.5
391.17419	0.6
502.47836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1037
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
52.78883	0.2
58.64422	0.1
58.64728	0.1
59.01385	0.3
63.02409	0.4
63.13240	0.1
64.61648	0.1
65.00330	0.5
65.25765	0.1
67.39428	0.1
69.16718	0.9
69.17150	0.7
83.01382	0.4
91.01907	0.3
93.03461	1.1
95.01398	0.2
107.01379	2.1
108.02219	0.2
109.02966	0.6
117.03492	0.5
120.02228	0.2
130.04279	0.2
131.05013	0.3
132.02162	1.1
135.00888	2.3
141.07068	0.2
143.05032	0.9
145.02943	0.2
151.00371	2.2
153.01895	0.2
154.04190	0.3
155.05081	0.3
157.06670	0.8
159.04526	0.9
163.00378	2.6
164.01111	0.4
165.01874	0.2
167.04993	0.6
169.06607	0.7
171.04526	0.7
173.06116	0.3
182.03687	0.3
183.04536	0.9
184.05324	0.3
185.02478	0.5
185.06087	2.0
185.32193	0.2
187.03990	2.7
189.05548	0.7
190.99905	0.2
191.05649	0.2
195.04521	0.6
196.05380	0.2
197.06033	0.9
199.03955	1.0
200.04767	0.6
201.05504	0.4
211.03958	2.6
212.04657	0.4
213.05530	1.8
214.02625	0.3
215.03479	0.3
223.04019	0.2
227.03488	30.5
228.03917	1.3
229.05048	9.0
230.05290	0.2
239.03441	2.1
240.04230	0.5
241.05051	1.3
243.03076	0.2
255.02979	64.5
256.03586	5.1
257.04535	5.3
257.07065	0.3
267.02960	0.9
283.02365	0.9
284.03253	81.9
285.04019	100.0
286.04395	3.8
327.05197	0.5
489.10361	50.8
490.10684	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92037	0.2
56.38438	0.2
57.03439	0.4
59.01384	0.4
69.30328	2.2
71.01392	0.4
71.05004	0.7
71.80527	0.3
73.02950	10.1
76.47009	0.2
77.43816	0.2
83.05046	0.3
87.00879	0.3
92.17733	0.2
98.19862	0.4
112.91535	0.2
199.68793	0.3
266.26175	0.3
276.89792	0.3
282.69543	0.2
351.26901	0.6
353.28448	0.3
397.27548	1.0
415.28445	0.4
429.26431	0.3
439.32065	0.4
443.31592	1.4
457.33121	0.9
469.33441	1.8
487.34314	100.0
488.34662	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.6
71.01382	0.3
73.02949	1.1
98.99939	0.2
111.52946	0.2
112.98540	0.4
137.89862	0.2
229.40396	0.2
326.00760	0.2
403.29971	0.6
410.91608	0.2
421.31241	0.2
469.32996	1.0
487.34247	100.0
488.34576	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	489.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.3
61.98840	0.6
62.87244	0.4
71.01375	2.3
71.54233	0.5
76.90069	0.3
78.95902	13.7
79.95750	2.3
81.03452	0.4
83.05061	0.4
84.95114	1.6
85.02953	0.6
85.97721	0.4
87.00861	0.4
89.02431	2.6
96.96013	100.0
96.96937	24.0
101.02441	1.5
107.05027	0.5
107.60155	0.3
109.02950	0.7
113.02470	0.7
119.03507	1.3
121.06599	0.6
123.04548	0.9
124.90205	0.3
127.04018	1.2
133.01425	0.4
135.04524	0.4
143.56380	0.3
149.06100	1.3
158.51605	0.4
167.07138	1.3
171.26093	0.4
179.05605	0.8
185.08180	0.9
191.05594	5.0
229.07155	0.6
283.08258	0.4
391.12463	15.6
392.12897	0.4
489.09427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3428
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.63092	0.3
57.03452	1.0
59.01385	1.4
61.98846	0.8
62.38474	0.3
68.99574	0.3
71.01390	0.8
71.05006	0.4
71.45501	0.6
73.02950	1.0
75.00880	1.5
83.05029	0.6
89.02484	0.6
96.96032	0.6
102.13689	0.3
140.91885	0.3
152.96007	0.3
155.91077	0.4
158.97072	0.4
190.44478	0.3
201.14633	0.3
209.11995	0.4
274.87833	0.3
289.18146	0.6
308.67197	0.3
371.25943	0.5
391.30588	0.4
395.29636	0.6
409.31302	0.5
411.32632	0.5
413.27100	0.7
415.29001	0.5
423.32852	0.5
431.27960	0.5
441.33743	0.6
469.33292	3.4
487.34451	100.0
488.34915	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3428
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.87511	0.3
56.38142	0.4
71.09637	0.5
74.44794	0.3
105.24669	0.3
119.03254	0.3
157.28181	0.3
240.97263	0.4
267.67511	0.4
371.30173	0.4
391.96420	0.4
457.33292	1.2
469.33209	2.3
485.32474	0.5
487.34302	100.0
488.34616	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	487.343
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01384	0.3
68.18760	0.2
69.03452	0.2
69.39867	1.6
71.01404	0.2
71.05003	0.4
96.70510	0.2
335.11752	0.2
367.26553	0.2
401.42520	0.2
411.89716	0.2
413.26706	0.4
415.28351	0.7
439.32138	0.4
451.32297	0.4
457.33337	1.7
469.33374	2.4
484.70517	0.2
485.32767	0.3
487.34329	100.0
488.34656	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	487.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
58.14303	0.2
59.01365	0.5
61.98850	0.2
69.03448	0.2
70.92830	0.6
71.05017	0.7
73.02949	10.9
73.40039	0.2
75.00870	0.8
83.90765	0.2
129.24274	0.2
160.84215	0.7
162.83888	1.2
198.64290	0.2
214.75085	0.3
227.61783	0.2
244.52928	0.2
313.25327	0.4
352.77783	0.3
365.28903	0.3
367.26160	0.3
369.27908	0.7
397.27563	0.2
401.96576	0.4
407.29300	0.3
409.31055	0.3
411.32932	0.6
423.32852	0.7
439.32104	0.5
441.33670	0.8
443.31519	1.3
451.32068	0.5
457.33563	0.5
469.33380	6.2
470.33209	0.6
487.34341	100.0
488.34674	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	487.2316
Annotation	Tiegusanin B
Peak:m/z	Relative Intensity
50.12967	1.1
50.51796	1.0
53.75748	1.3
59.01378	10.4
69.32825	3.4
69.33251	6.0
71.01385	3.2
73.02943	1.4
78.95902	5.6
79.67313	1.3
79.95728	3.3
82.95401	1.2
85.02946	2.2
89.02445	2.4
93.03484	1.9
96.96014	100.0
96.96918	10.1
98.29953	1.3
98.95573	1.2
101.02434	4.6
110.97578	1.1
112.17500	1.2
130.08768	1.9
134.92336	1.2
150.24643	1.0
153.09174	1.5
157.38359	1.2
161.02518	1.5
161.04535	1.5
166.18285	1.1
191.05644	11.7
302.62863	1.4
367.17462	1.8
447.01077	1.3
451.25534	15.2
487.23227	57.5
488.23715	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	486.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75550	0.4
59.20060	0.4
61.98796	0.4
69.51169	2.5
78.95882	0.5
88.04041	49.1
98.19904	0.9
143.61472	0.4
147.08189	2.2
149.09700	1.0
158.80043	0.4
161.09734	0.7
163.11275	3.1
187.11287	1.9
242.38660	0.3
253.95895	0.4
265.12415	0.5
277.84064	0.4
279.13770	0.5
280.14731	0.9
307.17120	0.8
309.22119	2.5
322.19244	0.5
337.21716	100.0
338.22061	5.7
382.27527	0.9
486.26804	18.1
486.33176	10.0
487.27182	1.6
487.34250	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	485.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48346	0.4
70.92203	0.5
70.92537	0.4
73.27256	0.4
78.28563	0.3
79.62822	0.3
83.22453	0.3
90.97941	0.3
100.84176	0.3
106.26574	0.3
109.06597	1.0
120.67146	0.3
370.82440	0.3
371.29419	1.0
423.32623	1.2
437.30499	2.4
439.32062	0.5
441.33713	26.9
442.33966	2.0
455.31604	1.0
467.31683	2.8
485.32703	100.0
486.33096	7.3
488.36728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01845	0.6
59.01394	0.8
61.58709	0.6
71.01402	0.8
71.54473	0.8
72.04558	0.6
74.02476	4.1
81.45542	0.5
82.02991	56.3
82.22326	0.5
85.02943	0.6
96.97046	0.5
100.04084	2.4
101.02463	1.3
117.96045	0.5
126.01981	13.8
135.13641	0.5
144.03036	100.0
145.01479	2.6
145.03348	1.3
145.06230	2.0
150.66573	0.6
191.05629	2.4
254.89297	0.6
287.89114	0.6
318.46350	0.5
372.20047	0.6
391.15393	0.5
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
57.03441	1.2
57.14471	0.3
60.08110	0.3
69.22575	0.8
69.22972	3.0
71.05022	0.3
83.05008	0.4
86.63873	0.3
90.92255	0.3
142.54359	0.3
155.00110	0.4
181.74944	0.3
218.81447	0.4
255.23311	0.8
256.23630	0.6
257.23993	1.1
270.56918	0.3
293.55411	0.4
393.31604	1.3
400.86719	0.4
423.32605	0.9
437.30472	1.2
441.33694	0.5
455.31888	2.2
467.31647	2.6
485.32755	100.0
486.33127	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	485.3273
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
57.03458	0.5
58.00591	0.8
59.01372	0.6
69.39469	2.3
69.39877	0.8
71.01395	0.8
75.00880	0.6
75.03954	0.5
77.31564	0.5
98.74125	0.4
167.08273	0.4
214.83711	0.4
248.00484	0.4
274.12061	0.5
349.37378	0.4
363.30548	0.6
374.70175	0.4
375.30811	0.9
393.27902	0.8
399.24960	0.5
405.28061	1.5
407.25897	0.8
409.27399	1.7
421.27542	0.7
423.29065	1.2
437.26480	0.9
447.30978	1.8
455.31650	1.7
467.26520	0.7
467.31509	1.8
485.33414	100.0
486.33649	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3285
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
54.71986	0.3
55.00224	0.4
59.86560	0.3
70.70271	1.1
73.35291	0.4
78.95900	1.4
83.15351	0.3
85.02943	3.8
92.15565	0.3
97.45122	0.4
99.25323	0.4
102.16237	0.4
114.14065	0.4
122.82106	0.4
126.71799	0.4
135.20027	0.4
140.69611	0.4
143.20078	0.3
152.99603	1.5
181.66597	0.4
255.23286	4.3
256.23636	4.1
257.23917	5.0
287.20151	0.5
303.55521	0.4
397.27103	0.4
413.30801	1.6
423.32739	0.7
429.30060	2.7
437.30539	2.4
441.33719	33.9
442.34106	3.1
455.31653	0.6
457.33228	0.8
467.31674	2.0
485.32779	100.0
486.33081	7.8
486.39795	0.7
501.07693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3272
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
51.62153	0.2
52.07965	0.2
54.63729	0.2
55.01873	0.8
57.03444	0.6
69.29994	1.3
71.04990	0.2
73.02946	41.6
74.03305	0.2
86.76424	0.2
97.06602	0.6
98.20657	0.3
117.01941	0.2
152.15733	0.2
165.51517	0.2
257.81241	0.2
286.10669	0.2
349.25369	0.2
367.26379	1.6
393.27777	0.4
405.31744	1.1
410.11401	0.2
421.31030	1.5
423.32748	2.1
441.30099	4.0
442.30484	0.3
449.30490	0.5
467.31525	1.4
485.32700	100.0
486.33075	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	485.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.5
59.01379	10.8
60.99300	2.0
61.98809	1.2
63.83592	0.9
67.01907	5.0
69.03468	1.0
69.30666	6.2
71.01378	6.3
73.02950	1.2
79.95740	25.4
80.96503	1.0
81.03443	1.6
83.01395	1.2
83.05038	0.9
85.02959	9.5
87.00888	8.5
89.02446	3.6
89.89416	0.9
93.03458	42.4
95.95241	13.0
96.96013	100.0
97.02864	1.0
101.02431	3.6
106.84326	0.9
109.02937	2.2
110.97594	4.5
111.04521	7.3
113.02456	2.9
119.03495	2.6
127.03983	1.6
129.01970	1.1
134.03738	11.0
135.04492	3.3
136.01659	8.1
137.02406	5.7
141.95750	2.1
143.03394	1.6
145.13290	0.9
149.99875	2.7
152.01091	1.8
155.03506	2.7
160.01631	2.1
161.04544	1.1
164.98601	2.5
173.04549	38.4
173.06044	2.3
174.03204	1.0
176.04752	3.7
177.09187	2.4
179.03372	1.5
179.05644	4.8
185.03825	1.4
185.53969	1.6
187.07661	1.7
191.05608	98.1
192.05937	2.6
194.56323	0.9
203.07133	1.6
205.08665	6.6
231.10196	4.0
233.06584	2.6
249.11247	4.3
293.10309	3.6
297.58908	1.0
311.11362	5.4
332.37714	1.0
361.05820	1.6
404.16077	1.0
425.20340	3.5
431.22815	1.5
449.14688	1.8
449.24051	6.0
467.15594	30.5
468.15305	1.6
470.08878	1.8
485.11002	57.0
485.16739	36.4
485.21982	15.3
486.11380	3.6
486.17197	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
71.01389	1.1
71.55474	0.7
71.55846	0.4
72.40569	0.4
75.17654	0.4
76.28728	0.4
78.95907	1.4
79.95728	2.4
82.95402	1.2
85.02956	2.2
87.00862	0.4
89.02419	0.4
93.03451	3.9
95.95243	0.8
96.96009	100.0
101.42445	0.4
111.04534	1.0
114.91916	0.4
127.03979	0.5
173.04532	3.4
174.03192	0.4
176.04802	1.9
177.09239	1.1
187.07671	0.5
191.05600	24.2
192.05888	0.7
203.07133	0.8
203.58890	0.4
205.08678	2.1
207.10233	0.4
231.10167	0.4
249.11267	2.1
267.12372	0.6
275.09305	0.9
293.10153	0.5
311.11411	0.5
387.16498	3.5
467.15683	3.3
485.10208	2.3
485.17035	5.9
486.17505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67540	0.5
57.97090	0.5
59.01384	8.3
67.01892	0.7
71.01385	7.7
71.55485	1.0
72.59880	0.5
72.99300	0.6
73.02943	2.3
78.95919	1.3
79.95740	8.3
82.95422	7.5
83.01384	0.7
83.54941	0.5
85.02947	6.1
86.00098	0.7
86.51039	0.5
87.00871	3.2
89.02441	3.1
93.03469	5.7
95.01389	0.8
95.95243	2.6
96.96016	100.0
99.00901	1.0
101.02438	5.1
110.97553	0.9
111.04511	1.0
113.02455	3.0
118.26052	0.5
119.03480	1.3
127.04030	0.8
131.03517	1.9
137.02544	0.6
141.95779	0.6
143.03513	1.0
155.03545	0.7
159.03020	1.1
160.06430	1.4
161.04533	2.4
161.07216	20.3
173.04559	5.2
174.03128	0.8
175.08765	6.1
176.04768	2.2
177.09219	1.9
179.03462	0.6
187.08902	0.9
189.06703	24.2
190.07130	0.9
191.05612	40.4
192.05992	0.8
202.06403	0.5
203.08380	6.2
205.08696	4.0
221.06665	1.7
229.09793	0.7
231.10286	1.7
233.08316	0.7
249.11409	2.4
257.08368	0.9
261.06229	0.8
267.12512	0.7
275.09317	0.8
293.10413	0.9
305.11340	2.9
387.16605	3.3
467.15613	7.2
485.11157	10.0
485.17670	43.1
486.11508	0.8
486.18164	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	485.076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.7
60.98075	0.4
66.05066	0.4
69.03473	0.5
71.01368	0.7
73.02961	0.6
79.01891	0.4
79.95745	2.7
80.96524	1.6
85.02982	0.7
87.00858	0.7
91.41553	0.4
93.03458	0.6
94.98104	0.5
95.95249	0.6
96.96016	100.0
99.23084	0.3
101.02457	1.3
107.01398	0.7
108.02161	0.5
109.02937	0.7
112.68029	0.4
113.02473	0.5
116.64407	0.4
122.97638	1.0
135.00899	1.3
135.04526	0.5
138.97095	1.2
150.97057	1.0
152.01125	0.7
152.97484	0.6
152.98648	6.7
152.99812	0.3
153.01909	2.2
173.04536	0.6
179.56976	0.4
180.98132	2.8
191.05498	0.4
197.64278	0.5
209.03281	0.4
232.73682	0.4
241.00240	53.3
242.00623	0.9
275.92780	0.4
377.01846	26.1
378.02261	0.9
485.07605	70.2
486.07883	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58371	0.2
52.57183	0.2
59.01371	0.6
61.04371	0.2
61.98832	1.8
71.01408	0.3
76.03375	0.2
81.03477	0.6
85.02978	0.2
87.00872	0.2
89.03976	1.9
93.03475	0.7
95.04977	0.2
96.96022	0.8
104.02684	0.4
104.77929	0.2
105.03458	3.3
107.01398	0.2
109.02977	0.2
117.03441	0.3
119.05033	1.5
133.02956	8.6
145.02974	0.7
148.01665	0.7
149.02403	0.9
163.03990	1.6
173.04495	0.4
176.01227	1.0
177.01927	100.0
178.02254	2.4
180.59831	0.2
183.10254	0.6
191.05586	1.0
339.07175	6.5
340.07758	0.2
441.14822	0.2
485.10895	13.4
486.11002	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.0
65.00356	0.4
65.03967	1.1
69.37487	2.1
69.37914	1.5
71.01379	1.5
73.02950	0.6
79.95737	2.6
80.96521	1.7
85.02968	0.6
88.30749	0.5
91.01900	9.9
93.03479	0.6
96.96017	100.0
98.20647	0.8
101.02474	1.5
109.02956	13.1
109.04138	0.5
113.02497	0.7
122.97641	0.9
125.02446	0.5
135.00893	33.1
136.01277	0.5
137.02425	1.2
138.97095	1.5
143.03474	0.8
149.02454	0.8
152.98648	5.9
153.01944	60.8
154.02269	1.0
163.04071	0.4
164.98730	0.9
167.80522	0.5
173.04573	0.8
177.01968	0.5
180.98161	2.1
191.05716	0.8
198.99310	0.6
201.04962	0.5
207.03065	1.3
214.96811	0.5
222.99242	2.7
241.00238	64.5
242.00647	1.2
291.45786	0.4
297.06204	0.7
377.01843	38.2
378.02164	1.8
418.32233	0.5
485.07602	43.0
486.07877	2.7
486.24429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29902	0.3
55.01875	0.6
59.01374	1.4
61.98841	0.4
69.03455	0.4
69.61343	0.3
71.01367	0.8
73.02950	1.0
79.95727	3.3
80.02716	0.3
80.96517	1.8
83.01463	0.3
83.05022	0.3
85.02950	0.9
85.19616	0.3
87.00859	0.7
91.01888	2.8
93.03456	1.7
94.98026	0.3
96.96011	100.0
98.20655	0.6
99.00893	0.4
100.64987	0.3
101.02462	1.4
108.02168	3.0
109.02986	1.4
111.00882	0.8
113.02447	0.7
122.97568	0.8
123.00887	1.3
124.01628	0.4
125.09749	0.5
133.02914	0.4
133.62730	0.3
134.03743	1.3
134.97685	0.3
135.00876	2.6
135.04533	0.9
137.02431	1.9
138.97092	1.4
143.03470	0.3
150.97093	0.3
151.04036	0.3
152.01167	3.9
152.98633	6.4
153.01941	1.9
160.01651	0.9
161.02501	0.4
168.33696	0.3
173.04575	2.2
175.03990	1.0
179.03569	0.5
180.98128	2.0
183.60861	0.3
191.05608	0.9
193.05043	0.5
197.06027	0.3
201.11264	2.3
208.57121	0.3
209.11838	3.3
211.85503	0.3
227.12782	0.5
241.00227	59.5
242.00449	1.3
243.06602	15.6
244.07159	0.5
308.09119	0.3
352.07959	1.4
377.02011	2.8
391.65207	0.4
414.72000	0.3
449.29108	1.3
462.74490	1.1
484.23911	1.5
484.74124	4.4
485.07550	50.4
485.24237	1.7
486.07782	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	483.3115
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
59.01379	1.8
64.84807	0.9
69.03442	1.0
73.02946	17.3
102.27950	1.0
111.00889	1.1
150.30667	1.0
160.13509	1.0
163.42233	1.1
277.90118	1.2
287.51019	1.0
343.26465	1.8
365.24725	5.8
365.28802	1.1
395.29550	1.7
403.30319	1.7
421.31158	12.3
439.28354	1.6
483.31165	100.0
484.31506	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	485.076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76135	0.5
64.44891	0.5
71.01377	0.8
73.02956	0.9
79.01897	0.6
79.95725	2.8
80.96525	1.9
87.00903	0.7
89.89507	0.6
96.96014	100.0
101.02422	1.0
107.01395	0.6
118.04358	0.5
120.39030	0.5
122.97544	0.9
125.02399	0.6
135.00887	1.1
138.97108	0.8
150.97046	0.7
152.01163	0.8
152.98648	6.9
153.01936	1.4
180.98140	3.0
229.66806	0.6
241.00237	54.1
242.00520	1.1
261.19370	0.5
270.40387	0.5
377.01859	29.2
425.15741	0.7
469.23355	0.6
485.07593	80.2
486.07996	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	483.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
61.98812	0.2
69.53140	1.5
71.01404	0.6
78.95914	3.0
79.95744	2.5
85.02946	0.6
87.00909	0.4
88.98805	0.5
93.03474	0.6
96.96018	100.0
96.96909	5.5
97.10497	0.2
98.20595	0.4
100.55265	0.3
101.02445	0.6
103.29750	0.3
108.02235	0.4
108.08064	0.3
109.02949	0.2
113.64805	0.3
135.04521	0.3
173.04546	0.3
179.03506	0.3
191.05615	6.5
219.30379	0.2
228.04379	0.2
281.06693	0.3
303.05573	0.3
401.11288	0.3
483.14417	1.0
483.24371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2013
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
53.27168	17.1
59.01381	84.4
61.98828	30.0
67.25121	19.0
71.01376	41.3
72.20815	20.0
74.53747	18.6
77.25811	19.3
78.95918	47.8
79.95754	25.6
83.01414	24.4
85.07405	20.2
87.00912	21.8
93.33614	19.5
95.36733	19.2
96.96011	89.9
97.43874	17.7
98.20691	38.6
98.54886	18.7
111.00856	46.1
113.02472	20.7
114.05748	19.3
128.34669	21.3
152.99654	34.1
191.05679	95.0
211.13409	61.1
483.19891	100.0
483.24637	23.1
483.30020	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	483.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02071	37.4
62.02942	45.0
62.33464	42.4
65.45309	37.2
71.54025	58.3
71.54394	57.6
72.31291	38.7
80.69799	34.9
94.69695	34.7
111.36060	39.0
130.16183	35.9
143.74934	43.9
192.33997	38.3
242.50462	36.1
255.23399	59.2
283.26514	100.0
373.43182	40.0
408.42438	40.9
441.87573	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0908
Annotation	rostratin C
Peak:m/z	Relative Intensity
59.01374	2.5
61.98834	4.3
67.01881	0.6
68.99832	0.7
69.45186	3.1
71.01378	3.2
72.99329	0.4
78.91888	2.9
78.95905	100.0
81.03438	0.5
85.02950	1.1
88.98781	0.6
89.02438	2.0
93.03448	0.5
96.13123	0.4
96.95974	1.2
96.96964	41.5
98.19858	0.9
101.02441	2.3
105.91927	0.4
109.02957	2.1
113.02437	1.2
121.02953	0.6
125.02392	0.9
127.03992	1.3
131.03491	0.5
135.04510	1.0
138.98021	4.9
147.04510	1.3
149.04533	0.7
150.98024	1.7
160.04008	0.6
161.02435	0.9
161.04478	1.0
162.98026	0.7
164.99500	0.5
168.98997	0.5
179.03415	0.6
180.99057	1.5
191.03589	0.7
191.05597	1.5
199.00142	0.6
204.99216	0.8
209.04538	2.0
223.00111	2.3
241.01183	15.4
259.02234	1.7
291.10794	0.6
293.08823	1.2
391.12485	1.1
393.21820	0.5
407.07404	1.7
421.05420	1.2
423.06799	0.9
423.14996	2.8
451.06476	19.4
452.06808	0.9
483.09061	43.9
484.09161	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	483.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
61.98812	0.2
69.53140	1.5
71.01404	0.6
78.95914	3.0
79.95744	2.5
85.02946	0.6
87.00909	0.4
88.98805	0.5
93.03474	0.6
96.96018	100.0
96.96909	5.5
97.10497	0.2
98.20595	0.4
100.55265	0.3
101.02445	0.6
103.29750	0.3
108.02235	0.4
108.08064	0.3
109.02949	0.2
113.64805	0.3
135.04521	0.3
173.04546	0.3
179.03506	0.3
191.05615	6.5
219.30379	0.2
228.04379	0.2
281.06693	0.3
303.05573	0.3
401.11288	0.3
483.14417	1.0
483.24371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
66.47633	0.2
71.53635	0.3
73.45309	0.3
78.95923	0.6
95.03439	0.3
98.64281	0.3
101.21181	0.3
125.92519	0.3
152.99608	1.3
171.00719	0.3
202.33037	0.3
227.03549	0.3
231.44263	0.3
255.23308	7.9
255.25861	0.5
427.55832	0.3
470.52078	0.3
473.75961	0.3
483.27148	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	483.0909
Annotation	rostratin C
Peak:m/z	Relative Intensity
50.49108	0.3
50.74487	0.3
59.01388	2.5
61.98843	4.5
62.14095	0.3
62.96417	0.6
64.74581	0.3
68.99823	1.0
71.01376	1.3
72.99290	0.4
75.00884	1.0
78.74654	0.4
78.91898	4.2
78.95908	100.0
84.11640	0.3
85.55300	0.4
88.04434	0.3
89.02456	1.1
91.52131	0.4
93.03461	0.5
96.96967	70.1
98.95596	1.1
101.02455	1.9
110.98548	1.0
112.98865	0.5
113.02431	0.6
118.13587	0.4
119.03467	0.7
119.05071	0.5
135.04549	0.7
141.01738	0.5
145.01402	1.0
147.04526	1.1
149.02440	0.4
160.30550	0.4
191.03519	2.1
191.05472	0.8
203.05629	0.3
205.05054	1.7
233.28239	0.3
241.01193	1.3
259.02307	0.8
271.00125	0.6
277.03430	0.4
289.01279	2.3
303.02893	0.5
359.65067	0.4
407.07455	0.6
447.15143	0.4
451.06418	6.5
465.07928	0.5
478.27939	0.4
483.09052	37.6
484.09323	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14951	0.8
63.08109	0.8
69.49702	5.6
73.72878	0.8
78.95904	43.0
87.13117	0.9
93.19720	0.9
96.96936	2.2
142.24855	0.9
152.90224	0.9
152.99582	62.0
171.00630	18.5
227.03267	3.9
230.02077	0.9
245.04311	100.0
246.04710	1.6
253.21721	66.7
254.22144	2.7
481.25705	58.7
482.26099	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04977	1.1
59.01382	13.3
61.98825	7.4
69.54305	5.6
98.19918	2.6
123.02663	1.2
126.17123	1.2
144.09760	1.1
172.14745	1.1
191.05531	1.6
197.11815	8.1
209.11797	3.9
445.29565	100.0
446.30026	5.5
459.19586	1.3
481.29950	7.9
482.29330	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	1.8
67.69696	1.2
69.40638	10.0
71.96308	1.2
90.88125	1.3
98.20679	2.5
101.49998	1.3
149.92921	1.2
177.58269	1.4
191.05565	2.8
197.11813	1.3
255.50793	1.5
379.03848	1.4
445.29587	100.0
446.29941	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	481.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	23.9
69.32623	87.3
80.38824	9.0
119.24570	10.0
136.35225	9.8
152.99602	18.6
246.43515	10.9
281.24850	100.0
300.56686	14.5
346.84344	11.3
356.28137	11.9
481.29608	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	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31218	0.9
57.29869	0.8
69.51319	6.6
72.20564	0.9
78.95906	37.6
79.82056	0.9
96.96964	3.8
130.39009	0.9
143.31262	0.9
152.99597	64.2
171.00633	16.2
184.64868	1.0
227.03177	4.6
245.04318	100.0
246.04628	1.7
253.21735	64.3
254.22069	2.2
434.03665	0.9
481.25732	56.1
482.26062	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	481.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23520	0.3
55.50690	0.3
59.01368	0.9
63.80140	0.3
63.80571	0.3
71.01373	0.8
72.31847	0.3
79.95750	2.1
80.96531	0.7
85.02953	0.3
95.95248	0.4
96.96013	47.7
98.19823	0.4
98.95573	0.6
101.02438	0.9
103.00366	0.3
111.00911	0.2
113.02476	0.3
138.25191	0.3
138.97098	1.1
150.97099	0.5
151.27106	0.3
152.98637	1.1
158.79471	0.3
175.42091	0.3
180.98116	1.2
190.18634	0.4
191.05583	0.4
198.99162	0.7
241.00220	4.2
256.99695	1.2
259.01382	0.5
320.38608	0.3
332.56299	0.3
348.01337	0.3
395.13834	3.9
437.14725	1.4
442.55737	0.3
481.21097	100.0
482.21503	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	481.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24839	0.3
57.03442	1.3
59.01374	2.2
61.98819	1.7
70.82599	0.9
71.01382	3.4
72.99288	0.4
75.00873	1.5
79.95742	4.1
80.96516	1.9
85.02950	5.0
89.02450	0.9
95.95227	1.0
96.96011	96.8
97.02955	1.3
98.67381	0.5
98.95609	1.0
99.00893	1.5
101.02435	0.9
111.00878	0.6
115.04034	0.9
129.01929	2.9
134.27118	0.4
138.54919	0.4
138.97031	1.5
144.60718	0.4
152.98605	0.9
168.98093	1.2
176.98581	0.8
177.04048	8.1
180.98050	0.4
191.05623	1.2
194.99681	1.4
213.00734	0.8
241.00218	2.1
256.99719	39.9
257.99893	0.8
330.87509	0.5
412.70020	0.5
445.25980	0.6
481.21072	100.0
482.21454	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26859	0.3
57.03444	1.5
59.01371	2.7
60.99312	5.8
61.98828	1.2
65.03967	0.5
66.91299	0.4
67.01891	15.4
69.03455	3.9
70.55312	0.7
71.01380	4.7
71.05028	0.3
73.02917	0.7
81.03454	3.1
83.05026	2.1
83.80139	0.3
85.02954	2.0
85.25607	0.3
87.00877	20.1
88.01196	0.4
93.03458	100.0
94.03813	1.5
95.01357	0.3
96.08554	0.3
96.96008	1.9
97.06558	0.4
98.95590	3.1
98.96423	0.5
99.00879	1.9
99.04513	1.8
100.96043	0.4
101.02460	0.8
109.02953	1.2
111.04519	13.9
113.02441	2.3
115.04000	0.7
129.01944	2.9
133.02968	2.5
134.03749	10.1
135.04533	4.1
137.02446	2.7
139.03999	0.6
140.21494	0.3
143.03505	1.2
150.03267	0.4
151.04070	0.6
155.03506	3.7
161.02429	0.6
173.04544	57.3
174.04834	0.9
177.01932	2.1
178.02710	9.1
179.03465	1.8
191.05626	3.1
257.08264	0.5
267.71664	0.4
275.09219	1.9
306.07425	0.7
307.08383	0.8
307.11887	0.5
308.08966	0.8
351.07019	0.8
352.07977	1.3
449.14520	41.8
450.14926	3.4
481.17224	39.4
481.31818	0.4
482.17502	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	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09699	0.6
51.90858	0.6
57.03448	1.4
59.01377	1.9
60.99317	6.2
65.03963	0.6
67.01895	14.7
69.03461	3.8
70.56468	1.8
71.01389	4.3
81.03465	2.7
83.05032	2.1
85.02955	1.0
87.00887	19.0
88.83132	0.6
93.03465	100.0
94.03815	1.2
99.00893	2.2
99.04525	1.9
102.82367	0.5
104.19279	0.6
109.02974	1.0
111.04532	12.8
113.02457	1.6
115.04017	1.2
129.01970	2.9
133.02963	2.3
134.03754	8.8
135.04535	2.6
137.02448	2.0
139.04095	0.7
155.03516	3.4
173.04558	54.2
177.01924	2.5
178.02704	8.3
179.03378	0.7
186.85529	0.6
191.05652	1.5
275.09161	0.8
306.07632	0.8
308.08994	0.7
351.07248	1.4
352.07950	1.0
449.14548	54.2
450.14792	2.3
481.17130	28.7
482.17532	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79082	0.3
53.08998	0.3
57.03447	1.7
59.01389	1.9
60.99301	5.4
65.03945	0.7
67.01891	14.1
69.03455	3.7
71.01381	4.2
73.02946	0.5
73.20257	0.3
76.88335	0.3
77.10094	0.4
77.28381	0.4
81.03458	2.5
83.05022	2.3
85.02952	1.4
87.00876	20.9
91.53323	0.3
93.03458	100.0
94.03800	1.4
97.06599	1.6
99.00888	1.6
99.04527	1.8
101.02473	0.5
109.02959	1.1
111.00906	0.4
111.04517	14.1
113.02425	1.6
115.04000	0.8
127.03999	0.5
129.01933	2.9
133.02959	1.1
134.03741	19.3
135.04568	1.9
137.02460	1.5
143.03482	1.1
155.03488	3.5
161.04543	0.6
173.04541	64.0
174.04886	1.2
177.01898	0.7
178.02675	3.4
179.03432	0.4
191.05598	3.8
231.10213	0.9
236.14304	0.4
275.09271	1.1
285.43402	0.4
307.11844	3.4
449.14523	12.1
450.14838	1.1
481.17111	48.7
482.17548	3.4
507.03238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
67.01887	0.6
69.25832	0.4
69.26241	1.9
71.01382	0.6
81.03477	0.5
81.81483	0.2
83.05038	0.3
85.02956	8.6
87.00874	2.3
88.11874	0.2
89.69003	0.2
93.03458	5.9
99.00891	0.3
99.04542	0.2
108.02187	0.2
109.02956	1.2
111.04514	1.4
125.02453	0.3
127.04040	2.4
137.02443	0.3
149.99596	0.3
155.03508	0.7
168.00604	0.3
171.03004	0.5
172.05354	0.3
173.04582	2.7
173.06033	0.4
184.05225	0.3
186.93306	0.2
187.04041	0.5
187.07634	1.4
191.05611	100.0
192.05952	2.0
201.42921	0.2
201.45154	0.2
202.06274	1.7
203.06789	0.3
213.09187	1.5
213.87419	0.3
215.07181	0.6
231.10245	2.8
234.75769	0.3
255.37151	0.3
257.08176	1.4
275.09274	1.5
285.51529	0.2
289.10852	0.9
307.11896	0.4
329.13522	0.2
340.14880	0.3
345.98041	0.2
360.24884	0.3
449.14499	12.0
450.14694	1.1
481.09683	0.6
481.16962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.6
59.01382	1.9
60.99303	0.7
67.01897	2.3
71.01383	1.5
81.03459	1.2
83.05035	0.8
85.02949	6.8
87.00886	4.6
93.03460	19.4
96.95988	0.8
99.04510	0.4
100.82137	0.4
109.02951	3.9
111.04522	2.5
111.08182	0.7
127.04034	2.5
129.01942	0.5
134.03767	0.7
135.04529	1.1
155.03488	1.0
158.03664	0.4
159.04466	0.5
161.04536	0.6
171.02934	0.5
172.05226	0.6
173.04555	8.9
173.05997	0.8
187.07642	8.5
191.05615	100.0
192.05948	1.4
201.05637	0.6
202.06364	6.2
202.10040	0.6
213.09207	1.5
231.10257	9.2
257.08218	1.1
263.34384	0.4
275.09329	1.9
329.12570	0.4
367.98969	0.4
449.14563	10.5
450.14822	0.5
472.63815	0.4
481.17145	39.8
482.17474	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	481.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41688	0.2
52.43993	0.2
57.03455	0.2
58.21739	0.2
59.01368	0.9
67.01891	0.5
69.94785	0.2
71.01376	0.9
73.02946	0.3
81.03480	0.2
83.05019	0.3
85.02955	7.9
87.00887	1.7
92.74568	0.2
93.03460	4.3
98.20737	0.3
99.04515	0.4
99.37432	0.2
100.56679	0.2
108.02156	0.2
109.02971	1.4
111.04547	1.1
112.85992	0.2
114.51971	0.2
114.52680	0.2
115.51541	0.2
122.03729	0.2
127.04006	2.2
135.04527	0.2
135.86604	0.2
137.02519	0.3
144.93246	0.2
155.03508	0.3
171.02997	0.5
172.05328	0.2
173.04581	3.1
184.05315	0.4
187.04033	0.4
187.07640	1.6
191.05615	100.0
192.05951	1.5
198.06946	0.2
201.05502	0.4
202.06377	2.2
203.06900	0.2
203.10828	0.2
213.09222	1.6
215.07092	0.4
231.10277	3.4
232.10664	0.3
247.09570	0.2
257.08130	0.6
275.09256	1.8
289.10742	0.6
307.11752	0.3
449.14551	15.0
450.14899	1.3
481.17062	1.3
481.23059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47485	0.4
57.03448	1.0
58.75933	0.5
59.01383	11.4
71.01381	4.2
72.99310	0.6
73.02946	0.7
75.00879	0.9
75.08543	0.4
79.95737	4.4
80.96516	2.4
84.02135	0.5
85.02950	4.2
89.02454	1.0
95.95261	1.6
96.96012	100.0
97.02966	1.5
98.20734	1.0
99.00901	2.3
101.02435	0.9
103.00380	7.3
109.91911	0.4
113.02475	1.0
115.04005	0.8
117.20058	0.4
120.65432	0.4
129.01920	1.9
133.52525	0.4
138.97058	1.5
139.60118	0.4
152.98642	1.5
159.02977	0.6
164.98618	0.7
168.98071	0.4
176.98647	2.7
177.04030	6.5
180.98137	0.5
194.99660	1.6
213.00696	0.5
219.05118	0.6
238.98650	5.4
241.00290	2.0
256.99722	33.9
258.00131	1.0
280.79456	0.5
299.00812	5.8
342.99686	0.6
395.13785	67.5
396.14093	5.0
437.14850	38.6
438.15356	2.1
463.12796	1.2
481.13828	40.2
482.14151	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	481.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97312	0.6
59.01383	13.4
61.90023	0.6
61.98830	0.9
71.01386	2.5
73.02972	1.0
75.00878	0.5
78.95906	0.9
79.95750	6.1
80.96519	2.3
85.02966	1.8
87.00887	1.1
93.03461	1.0
96.61031	0.6
96.96017	87.3
98.95602	6.2
98.96426	1.0
101.02454	2.0
103.00387	7.1
113.02451	1.4
134.02217	0.6
135.04445	0.9
138.97108	1.3
150.05383	0.6
152.98605	1.7
152.99626	1.5
160.67036	0.6
164.98636	2.4
173.04543	1.2
177.03963	0.6
180.98157	2.8
191.05609	4.3
198.99258	0.7
241.00250	6.0
256.99835	1.2
257.99930	1.0
258.99490	2.1
306.07352	1.2
315.18082	0.7
327.82730	0.6
377.07727	0.6
377.12766	2.3
395.13800	100.0
396.14084	4.0
437.14856	40.6
438.15274	1.5
463.12741	1.7
481.13803	50.8
481.20105	11.4
482.14291	3.4
482.20432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	4.0
58.41215	2.1
59.01382	100.0
61.98841	2.5
67.01889	4.1
68.99827	17.4
69.76384	12.0
71.01000	4.7
71.01383	65.8
72.99308	5.2
75.00870	4.9
78.95907	2.7
83.01376	3.3
85.02950	9.3
87.00866	4.7
89.02450	88.7
95.01424	4.2
96.95997	9.8
96.96950	3.6
97.51781	2.4
98.20585	4.2
100.58138	2.4
101.02451	80.6
107.05107	3.1
109.02953	8.9
113.02464	28.1
119.03519	36.9
121.02911	2.9
127.04005	12.3
131.03522	4.1
137.02464	2.8
139.04030	3.2
143.03455	12.1
149.04619	4.4
157.05034	2.4
161.04529	11.8
165.05484	2.1
167.44971	2.6
179.05608	48.5
230.70901	2.2
241.07028	3.4
259.08191	23.2
273.13867	2.5
292.52643	2.3
309.85355	2.3
329.14297	2.0
382.99536	2.8
421.13495	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.2
60.44242	0.9
61.98827	2.1
67.01873	1.3
71.01387	15.6
71.02506	2.9
71.05013	1.0
73.04071	4.6
80.91237	0.9
81.03456	1.4
81.92921	1.0
83.01374	1.1
83.86224	0.8
85.02953	6.9
87.00845	3.5
88.04059	12.8
89.02454	2.4
93.03462	6.0
96.96003	2.8
99.00877	7.6
101.02435	2.7
103.05141	1.2
111.04503	1.7
113.02438	1.3
115.00377	18.7
116.05027	2.6
125.02470	1.4
125.09724	2.5
127.03986	2.2
129.10364	9.5
131.03516	1.4
132.03041	11.6
135.04564	1.4
137.02419	1.5
146.03752	1.6
146.06116	3.7
147.04517	1.9
151.00369	2.6
152.01166	2.2
161.02461	1.9
163.08775	1.3
163.11238	3.1
164.01170	1.0
164.07190	3.7
167.05737	3.0
167.10660	1.2
168.11411	2.6
169.09897	1.6
171.10271	2.3
172.05350	1.4
173.04575	2.8
181.12373	6.8
186.12483	25.3
191.05624	63.3
192.06076	1.4
196.27094	1.3
198.12468	1.1
199.13419	4.9
201.09059	1.2
207.10269	11.1
211.07666	1.6
215.05533	1.5
224.12779	4.6
225.11327	16.8
229.08690	3.3
241.01044	1.0
241.13481	2.6
242.02261	1.9
242.32918	0.9
243.02919	0.9
243.12398	11.2
245.08084	1.0
255.02956	1.1
255.06595	5.4
258.16095	2.5
261.11301	1.7
270.01709	1.1
271.02444	5.5
272.03265	2.8
276.17233	1.6
298.01279	1.1
299.02020	7.9
299.05081	1.7
315.18289	13.1
316.02203	2.6
317.06567	1.4
333.19205	10.0
345.19232	2.0
363.20377	15.7
364.18768	26.1
365.18924	1.0
405.21390	1.5
435.16785	1.7
435.22467	3.6
461.20496	2.1
479.08292	20.1
479.21399	100.0
480.21817	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00197	0.6
58.00544	0.6
58.59491	0.5
59.01378	10.9
61.98807	0.8
69.31028	4.3
71.01376	9.1
71.04990	0.6
73.02937	2.1
81.03448	0.5
83.01369	0.9
85.02948	3.4
86.28276	0.6
87.00877	0.7
89.02434	7.1
93.03442	2.0
96.88544	0.6
96.96001	5.3
97.02946	1.2
97.06616	0.8
98.19922	1.0
99.00877	10.4
101.02433	6.3
111.04488	0.7
113.02463	2.8
113.14350	0.5
119.03472	1.0
120.36736	0.5
125.09698	1.5
127.03987	0.8
127.11304	0.7
129.78966	0.5
131.03474	1.9
149.04507	0.8
153.12889	0.6
161.04535	1.5
163.11252	2.5
167.10739	2.2
171.10229	0.5
173.04506	1.1
175.02399	0.7
181.12329	8.1
185.11861	1.5
191.05592	16.5
197.11842	1.1
199.13376	15.2
201.62039	0.5
207.10252	11.7
225.11311	26.6
226.11603	0.9
229.08569	1.0
241.00249	1.7
243.12332	8.4
253.09267	1.3
317.15863	0.7
347.17096	2.5
393.05014	1.0
433.24655	0.7
435.06201	1.0
461.20349	5.5
479.21292	100.0
480.16745	0.7
480.21844	6.9
498.11411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03456	1.9
58.00589	1.1
59.01105	0.8
59.01383	12.6
61.98825	1.3
69.03456	1.2
71.01003	1.1
71.01388	20.7
71.56405	0.9
72.13074	0.5
72.99325	1.4
73.02954	10.8
73.51909	0.4
75.00873	0.5
83.01389	4.0
85.02957	11.1
86.00082	0.8
87.00881	1.6
89.02457	4.9
93.03458	2.2
95.01395	1.4
96.96028	2.8
97.02945	1.7
99.00893	4.9
99.04535	1.0
101.02451	17.7
105.57807	0.5
106.06612	0.6
109.06600	1.6
111.00882	1.1
111.04520	0.6
113.02464	6.7
115.04036	1.1
125.02451	1.5
129.01962	0.7
130.19800	0.6
131.03514	1.9
134.06123	3.1
135.04568	1.1
138.05621	1.2
143.03574	0.7
159.03058	0.8
161.02466	1.1
161.04636	2.7
163.11267	0.8
165.74969	0.5
171.10217	1.6
173.04597	2.4
178.05077	1.8
179.03516	0.7
181.12343	1.0
185.11815	1.3
191.05630	10.8
201.11320	1.9
207.10265	3.8
225.11359	3.5
253.09297	1.3
269.89493	0.5
270.26810	0.5
273.09937	0.6
287.09198	1.3
303.18073	2.9
318.05612	0.5
335.08017	0.8
340.10327	0.7
347.16974	1.8
363.76077	0.5
435.22498	0.6
461.19827	0.9
479.16135	3.6
479.21326	100.0
480.21664	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	479.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01374	2.2
69.38821	2.9
71.01389	3.2
72.99300	0.4
73.02949	0.4
75.00876	1.5
79.95728	4.4
80.96519	1.6
83.01383	0.6
84.02145	0.4
85.02940	4.7
87.00872	0.5
89.02459	1.1
95.95230	1.5
96.96011	99.2
97.02963	0.4
98.19952	0.9
99.00871	1.8
101.02449	0.6
103.00346	0.5
113.02460	0.4
115.04028	0.5
129.01935	3.5
133.02916	0.4
138.97075	1.4
145.92712	0.3
150.97086	1.0
152.98630	1.4
159.03008	0.8
161.02399	1.0
162.02824	0.4
168.98122	1.4
176.98560	0.9
177.04039	8.5
180.98064	0.5
194.99658	1.6
213.00795	0.5
241.00218	2.3
256.99719	37.7
258.00064	0.8
314.08029	0.3
393.12177	0.9
456.74289	0.5
478.73676	2.4
479.19516	100.0
480.19818	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	479.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01394	2.3
69.82719	0.3
71.01395	2.9
71.02037	0.7
72.99302	0.6
73.02959	0.5
75.00887	0.7
78.18399	0.3
79.95734	11.1
80.96516	1.8
85.02943	3.2
86.38639	0.3
87.00892	0.4
89.02438	0.7
93.03461	0.4
95.95233	6.2
96.96010	85.4
97.02949	0.4
99.00890	1.3
101.02441	1.0
109.06588	0.3
111.00854	0.7
115.04016	0.7
120.49227	0.3
122.97578	0.6
129.01965	1.7
138.97054	1.4
150.97049	2.1
152.98604	2.3
156.62120	0.3
158.71278	0.3
161.02419	0.5
168.98161	0.6
173.28134	0.3
176.98558	0.5
177.04042	4.4
180.98096	1.3
191.05682	0.5
194.99651	0.8
199.09737	0.4
207.10213	0.7
225.00708	0.9
225.11278	0.6
241.00226	3.4
241.70769	0.3
253.09177	0.5
256.99710	21.8
258.00107	0.6
296.69330	0.3
305.59113	0.4
389.26825	0.6
443.27649	0.4
461.29092	0.5
471.56757	0.3
479.19528	100.0
479.29401	6.7
480.19937	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	479.1968
Annotation	Paraensidimerin G
Peak:m/z	Relative Intensity
56.37636	0.6
57.03447	0.9
59.01379	2.1
68.99795	0.6
69.38969	4.1
71.01384	3.5
75.00845	0.9
79.95731	4.4
80.96535	1.7
85.02936	4.1
89.02451	1.2
95.95235	2.2
96.96012	92.6
99.00863	1.1
101.02412	0.7
115.04008	0.8
116.84145	0.5
129.01929	3.1
137.21654	0.6
138.97081	1.3
147.81172	0.7
150.97049	1.2
152.98637	1.8
165.50700	0.6
168.98120	1.5
177.04068	8.0
180.98062	0.6
194.99548	0.7
203.25458	0.6
213.00714	0.9
241.00278	2.0
247.76042	0.6
256.99725	39.3
395.14001	0.7
437.16431	0.8
457.80695	0.6
479.19550	100.0
480.19659	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.156
Annotation	Bruceine B
Peak:m/z	Relative Intensity
55.38850	0.2
57.03451	0.6
59.01373	3.1
61.98823	1.2
63.85745	0.2
67.01891	0.5
69.03458	0.4
71.01388	1.9
71.24369	0.2
71.56653	0.3
73.02907	0.4
81.03472	0.4
82.95427	0.3
83.05019	0.5
85.02952	9.9
85.03465	0.5
87.00880	2.1
88.98814	0.2
89.02456	0.9
93.03460	4.6
96.96015	1.1
99.00894	0.3
99.04523	0.8
101.02453	0.9
109.02952	0.8
111.04518	1.7
113.02459	0.4
125.02393	0.4
127.04021	2.0
129.02013	0.2
131.03549	0.6
137.02431	0.5
145.02928	0.3
159.04512	0.8
161.02455	0.5
161.04619	0.3
167.65015	0.2
171.03029	0.5
173.02481	0.6
173.04565	2.1
174.03159	0.3
186.03288	0.4
187.04016	4.5
187.05629	0.4
191.05621	100.0
192.05971	1.6
199.04021	0.3
199.13438	0.5
200.00992	0.2
201.01936	0.9
213.05585	0.2
214.02850	0.3
215.03502	4.4
215.07050	0.4
227.07111	0.9
229.08719	1.4
243.06635	2.2
244.07271	0.5
255.06636	1.2
259.09772	1.7
265.07159	0.3
271.02539	0.2
273.07639	0.4
287.09259	29.7
288.09552	1.2
305.10388	0.9
308.45978	0.2
316.04742	0.4
339.08707	0.3
382.28137	0.3
403.71432	0.2
447.12823	0.4
479.15573	2.5
479.21271	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57192	2.1
57.72578	2.1
59.01374	5.2
78.95907	85.0
96.97003	3.0
101.71839	2.1
140.01155	4.6
141.95502	2.1
152.99602	9.3
163.06187	2.7
171.00652	12.4
196.03787	7.4
197.04172	3.2
214.04941	2.4
276.88092	2.1
277.21716	100.0
278.22083	4.4
279.23291	26.2
280.23605	77.3
292.23734	2.2
310.11179	2.0
318.06375	2.3
403.24747	3.2
477.28201	79.5
478.28699	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	478.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97921	0.2
59.01384	1.1
60.99309	0.3
61.98833	100.0
65.99170	0.2
69.31000	1.7
70.32450	0.2
71.01395	0.8
73.02966	0.3
74.78680	0.2
85.02941	0.5
88.98816	1.9
89.02466	0.7
93.03484	0.9
93.31168	0.2
98.20682	0.4
99.00919	0.2
101.02458	0.4
109.02947	0.3
111.04579	0.2
113.02481	0.3
135.04512	1.5
137.02484	0.3
145.02934	0.2
149.04634	0.2
154.74232	0.2
161.04662	0.2
170.12737	0.2
171.10283	0.5
173.04544	2.9
179.03542	0.2
191.05615	1.6
197.11853	0.4
198.12231	0.4
207.80811	0.2
222.02237	0.2
226.38434	0.2
304.11871	0.4
368.01202	0.2
466.91931	0.2
478.20596	1.0
479.11838	0.3
479.21573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80314	0.7
59.01379	14.6
60.78361	0.6
60.99305	13.8
61.01801	0.9
61.98829	100.0
69.03444	0.8
69.40641	2.8
69.41056	1.9
71.01385	9.9
72.01710	1.1
72.99316	1.1
73.02957	3.0
81.03482	0.7
83.01382	1.0
83.05037	0.7
85.02956	3.0
87.00871	1.8
88.00388	1.3
88.98805	88.0
89.02447	18.8
90.02744	0.8
91.02859	1.1
93.03468	1.5
95.01439	0.8
96.96012	2.6
97.02953	1.2
98.20667	1.4
99.00871	2.4
101.02457	4.5
109.06613	0.8
111.04530	1.8
113.02455	1.9
119.03521	1.5
119.04995	1.3
121.02901	0.7
125.02402	1.3
131.03488	1.6
135.04515	1.3
135.08093	2.2
138.19763	0.6
149.04552	4.5
150.04854	1.0
151.04926	0.8
153.09198	2.7
161.02322	0.9
161.04536	1.1
163.03978	1.8
169.12282	2.7
171.10216	2.1
173.04488	1.9
179.10764	1.4
183.10254	1.5
191.05634	3.8
192.05969	0.6
197.08167	1.6
197.11862	3.2
205.08630	0.7
222.14238	0.7
223.09712	4.1
241.10721	0.9
253.09169	1.5
311.77133	0.7
359.13470	1.5
417.16751	4.0
477.20178	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	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03436	0.8
59.01099	0.6
59.01380	7.7
61.98826	1.5
69.03465	2.7
71.01382	4.9
71.05026	2.0
71.55647	0.6
72.99284	0.6
73.02950	0.9
81.03463	0.5
83.01381	0.5
85.02959	1.9
87.00873	0.9
87.23540	0.4
89.02442	3.1
90.02781	0.4
90.98607	0.4
91.82236	0.4
93.03442	0.8
95.01372	0.5
95.05026	0.4
96.95995	0.8
97.02965	0.5
97.06557	0.6
99.00907	0.6
101.02443	4.2
109.03027	0.4
111.04543	0.4
113.02459	1.8
119.03491	0.8
123.08152	0.8
125.09709	1.5
131.03525	0.6
132.25925	0.4
133.02977	0.5
134.03760	0.5
135.04494	0.5
137.09653	0.4
139.03932	0.3
143.03467	0.4
146.79556	0.4
149.04605	0.5
149.05986	0.4
151.11276	1.5
153.12848	2.0
161.02376	1.4
161.04539	1.2
161.09726	2.6
173.04549	0.9
179.10767	5.9
191.05595	4.3
197.11827	90.5
198.12170	2.5
223.09703	2.1
241.10826	9.8
242.10947	0.6
253.09238	3.0
300.76801	0.4
315.14359	0.5
459.18591	0.7
477.19742	100.0
478.20105	7.3
478.26633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03426	0.6
58.00593	0.8
59.01381	17.5
60.99318	0.5
61.98819	2.7
64.57911	0.5
67.01884	0.6
69.03455	1.4
69.96519	0.6
71.01382	14.5
71.55589	0.6
72.99313	1.4
73.02939	4.5
75.00866	0.8
79.42830	0.5
83.01384	1.9
83.05032	0.8
85.02948	5.0
87.00880	3.3
89.01931	0.7
89.02447	11.1
93.03454	3.5
95.01356	1.3
96.96002	2.6
97.02944	0.9
97.06576	1.0
99.00854	1.7
101.02444	12.3
111.04513	2.1
113.02439	5.1
119.03495	1.8
121.02834	0.8
123.08147	0.7
125.02448	1.1
125.09748	0.7
129.01910	0.6
135.04517	1.8
137.02467	0.6
143.03496	0.9
145.02936	0.7
149.04453	0.9
151.11275	2.6
153.09180	0.9
153.12822	1.4
161.02469	0.7
161.04562	3.6
161.09657	1.1
169.12335	37.3
170.12666	1.4
171.10274	1.9
173.04498	2.5
177.74425	0.6
179.10751	2.1
191.05617	6.6
197.11827	59.6
197.75656	0.5
198.12166	1.9
205.08727	0.8
223.09747	5.0
235.08424	0.6
241.07265	0.8
241.10809	1.8
242.07974	0.6
253.09222	8.7
279.12299	0.7
295.08151	2.1
345.15475	2.3
377.14493	2.3
393.16498	0.5
400.93057	0.6
459.18613	2.0
477.19745	100.0
478.20395	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03451	1.2
58.00576	0.6
59.01379	12.7
60.99286	0.5
61.98831	0.9
67.01878	0.9
69.03448	4.2
71.01384	10.9
71.05018	2.0
71.55364	0.6
72.99303	0.7
73.02951	3.1
74.61810	0.4
81.03468	0.9
83.01386	1.0
83.05032	0.9
85.02953	4.5
87.00870	2.9
89.02442	10.8
91.03986	0.5
93.03447	3.9
95.01390	1.0
96.96014	1.5
97.02945	0.7
97.06618	0.6
97.29480	0.4
99.00896	2.2
101.02439	8.2
109.02955	1.3
111.04531	1.7
113.02444	4.0
119.03504	1.2
123.08163	0.6
125.02437	0.7
125.09724	1.3
127.03983	0.8
129.01915	0.5
131.03497	1.1
133.02913	0.6
133.05049	0.5
135.04509	1.0
143.03487	0.7
149.04550	2.9
151.00352	1.0
151.11253	2.4
153.01927	0.5
153.12863	1.5
155.36833	0.5
159.04472	0.8
160.01459	0.5
161.02422	2.3
161.04550	2.4
161.09692	2.7
172.05280	0.9
173.04544	1.3
173.05968	0.8
179.05656	0.6
179.10757	6.5
180.11172	0.5
187.07634	7.0
191.05617	27.1
192.05937	1.2
197.11819	75.5
198.12157	2.1
201.05583	1.0
202.06227	1.3
209.54968	0.8
213.09206	1.2
215.07219	1.0
216.07852	0.6
223.09752	1.3
224.06885	18.0
224.57018	3.1
227.03467	1.1
228.04292	0.5
231.06654	0.6
231.10170	1.9
241.10805	6.7
253.09322	3.6
257.08176	3.3
272.03253	1.2
275.09253	0.6
306.71051	0.5
397.09473	0.5
449.14417	0.8
477.19724	100.0
478.20093	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	477.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34619	1.1
51.08649	1.3
53.82715	1.2
55.01876	1.3
59.01382	25.1
60.99307	13.3
61.98829	4.0
71.01382	18.1
71.54813	2.1
72.99299	2.3
73.02957	6.5
74.96474	1.3
75.00874	91.7
79.33192	1.0
83.01400	1.8
83.05019	2.0
85.02948	6.7
87.00873	5.6
88.98811	100.0
89.02453	15.1
93.03444	2.7
95.01369	1.2
96.96027	5.8
99.00878	5.3
101.02454	12.3
108.02158	6.8
109.02967	7.2
111.00921	1.4
113.02448	5.8
119.03479	3.5
120.99651	7.2
121.02954	2.8
123.04571	1.7
125.02473	3.5
127.03996	1.2
131.03513	1.4
133.02879	1.3
135.04523	2.2
149.04546	4.0
152.01114	6.1
153.01874	2.6
161.02463	2.1
161.04518	4.9
169.81876	1.2
173.04547	3.3
191.05605	12.0
203.04338	1.1
233.06551	3.1
253.09491	1.4
269.10172	2.0
279.03464	1.3
293.08768	5.5
343.12997	2.9
345.15552	4.1
385.07965	2.3
387.16388	9.0
401.14789	6.0
433.08185	1.5
462.82626	1.3
477.10727	5.9
477.19757	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	477.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.3
59.01377	1.2
62.90992	0.3
70.30657	0.6
71.01382	1.1
72.66450	0.2
73.02935	0.4
74.94071	0.3
79.95737	2.5
80.96520	1.3
85.02958	0.9
87.00881	0.6
88.53134	0.2
93.03453	0.4
95.95256	0.4
96.96017	68.1
101.02446	1.2
118.67464	0.3
122.97584	0.4
138.97025	1.2
150.97160	0.5
152.98634	1.7
180.98122	2.1
191.05620	0.5
198.99236	0.5
241.00246	6.0
259.01321	0.3
387.25336	0.4
427.64969	0.3
476.45230	0.3
477.18005	100.0
478.18298	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	477.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
57.53355	0.7
58.00592	2.8
59.01381	54.7
60.99302	1.9
61.98819	2.4
63.16530	0.7
68.81393	0.6
68.99826	1.3
69.03457	4.8
69.27515	7.1
71.01384	58.5
72.99316	2.2
73.02950	10.5
75.00866	1.7
78.95898	3.4
79.95744	2.0
80.67177	0.7
81.03457	3.1
83.01389	4.5
85.02956	8.7
87.00881	2.9
88.98807	13.4
89.02448	72.1
93.03421	0.8
95.01396	3.1
96.96017	100.0
96.96916	6.1
97.02959	9.0
98.66174	0.7
99.00887	15.1
99.04515	2.0
101.02449	20.8
105.29858	0.7
110.00105	1.1
111.00880	1.5
113.02464	9.0
115.04031	6.0
119.03501	2.3
125.02451	37.7
127.03999	1.1
131.03510	9.2
137.99602	1.6
139.00404	0.8
143.03508	3.3
145.02957	0.8
149.04553	12.0
153.01944	28.0
153.05556	0.8
161.02466	2.2
161.04544	5.1
168.04295	18.4
173.04440	1.2
175.06262	0.8
175.07718	0.7
179.05624	0.8
183.06586	4.0
191.03545	2.5
191.05630	8.9
193.05106	2.6
215.05629	1.1
223.06146	2.8
233.06648	29.4
255.08836	4.5
293.08792	31.6
294.09091	1.1
306.62985	0.8
345.15665	2.2
387.16684	1.5
417.21371	1.5
425.36292	0.7
477.19812	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
58.00618	0.5
59.01384	11.4
59.01685	0.6
60.99302	0.5
61.98817	1.4
69.03475	1.1
70.24489	1.0
70.24858	0.6
71.01385	12.1
71.01778	0.7
72.99300	1.0
73.02941	1.9
75.00861	0.4
78.95916	4.0
79.24540	0.3
79.95726	2.5
81.03471	0.6
83.01391	1.3
85.02969	2.0
85.68424	0.3
87.00883	0.7
88.98812	3.9
89.02449	13.9
93.03509	0.4
95.01362	0.6
96.96017	100.0
96.96915	7.3
97.02940	1.8
98.19899	0.4
99.00895	2.3
99.04543	0.4
101.02435	3.9
113.02465	1.9
115.04015	1.2
119.03512	0.7
125.02448	6.2
125.28353	0.3
131.03519	1.7
143.03537	0.7
145.02997	0.3
149.04562	2.8
153.01942	5.1
161.02495	0.7
161.04594	1.4
168.04234	2.9
183.06647	1.1
191.03517	1.0
191.05634	2.8
193.05087	0.9
205.05086	0.4
223.06215	1.6
224.90901	0.3
233.06641	5.7
255.08749	1.7
284.60266	0.3
293.08832	5.4
345.15656	0.6
477.19940	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	477.1038
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
54.54594	0.4
57.03453	0.7
58.22283	0.4
59.01375	7.5
61.98830	4.5
67.97453	0.4
69.20707	0.9
69.21106	4.3
71.01391	4.1
72.99296	0.5
73.02940	0.8
75.00874	0.4
79.95680	0.4
80.56699	0.5
80.91682	0.8
83.01378	0.7
85.02945	2.1
85.33754	0.5
87.00864	1.2
87.97301	0.4
89.02452	2.5
90.98596	0.8
93.03459	1.5
95.01384	0.6
96.95998	2.4
99.00854	1.1
99.04469	0.5
101.02441	2.7
105.95212	0.5
107.01370	0.7
109.02937	0.8
113.02437	1.7
115.00298	0.6
119.03462	0.8
125.02422	0.8
134.03735	0.6
137.02382	0.6
149.04491	1.3
149.06093	1.1
151.00369	3.0
151.04012	0.6
152.01164	0.5
153.01898	0.5
160.01677	0.7
161.02454	0.5
161.04605	0.8
173.04517	1.1
175.03983	1.3
178.99730	0.5
191.05594	5.3
197.11810	2.1
199.04015	3.7
201.01909	1.8
203.03426	0.8
209.11852	2.1
215.03506	2.9
223.07201	0.4
225.01871	0.6
227.03458	3.4
227.11874	2.2
242.02194	9.3
243.02966	36.8
244.03294	1.7
255.03116	1.1
257.04529	11.1
258.04892	0.6
270.01663	10.0
271.02460	40.9
271.10876	0.9
272.02866	1.8
285.04034	21.5
286.04742	6.9
299.01962	12.3
300.02600	5.6
314.04309	46.1
315.04990	9.1
354.03189	0.5
357.05951	1.1
374.21097	0.5
382.69495	0.5
396.63263	0.5
447.22028	0.5
477.10339	100.0
477.18701	3.9
478.10635	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	477.104
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
57.03438	0.6
59.01382	33.7
61.79623	0.5
61.98824	4.3
68.99553	0.9
70.32700	0.6
71.01382	8.1
71.09995	1.1
72.99313	0.6
73.02954	1.9
74.04787	0.5
79.95714	0.7
81.03463	1.1
83.01379	1.0
85.02959	4.5
89.02450	2.5
91.01904	1.1
93.03442	2.0
93.23208	0.5
95.01402	1.3
96.92830	0.5
96.96015	4.8
97.02965	0.8
99.00883	1.2
99.04517	0.7
101.02456	4.7
107.05022	3.6
108.02180	19.4
109.02960	100.0
110.03308	1.8
111.00862	0.8
111.04477	0.6
112.98585	1.0
113.02472	3.7
119.03503	0.8
119.05007	0.7
123.00893	3.1
123.04522	2.8
125.02408	0.5
133.02948	0.9
135.00917	0.5
135.04497	2.7
135.53450	0.6
139.07388	0.5
143.73264	0.7
151.04047	1.0
152.01164	19.8
153.01944	73.4
154.02289	1.3
159.03029	0.7
161.02431	2.2
161.04570	4.2
167.03511	6.9
173.04520	2.4
179.03514	12.8
191.05606	6.1
192.06059	0.7
199.13789	0.5
219.05156	1.2
241.00327	0.8
263.99405	0.6
271.06085	0.7
297.06125	5.4
373.22354	1.4
391.23260	1.7
396.54837	0.7
417.24905	12.5
456.55728	0.7
477.10416	86.7
477.17932	6.6
478.10840	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
61.98304	0.3
75.55669	0.4
75.85501	0.3
78.95900	38.6
89.88581	0.4
96.96960	1.7
98.20769	0.7
113.08937	0.4
122.00104	0.7
140.01172	5.8
152.99593	5.4
171.00642	3.2
175.73637	0.4
196.03781	10.8
214.04816	2.5
220.76175	0.4
229.93793	0.4
261.22220	0.6
277.21817	2.8
279.23270	100.0
280.23605	4.5
298.28073	0.4
402.24359	0.5
476.27802	46.8
477.28098	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	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.6
61.98814	0.3
70.92050	0.3
78.95906	5.1
78.97547	0.2
122.00108	0.2
140.01193	1.9
152.99559	0.7
196.03781	1.0
204.64049	0.2
211.59151	0.2
214.04865	2.9
261.22183	0.4
279.23279	100.0
280.23611	5.0
397.06506	0.2
476.27820	11.8
477.28165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.9
57.03426	2.8
59.01384	59.7
60.99314	13.2
61.98827	3.1
66.21998	1.8
71.01387	64.5
71.55229	2.3
72.07849	1.7
72.99304	2.2
73.02952	16.9
75.00858	2.2
82.95382	2.0
83.01388	7.6
84.95135	6.5
85.02949	21.1
87.00867	4.2
88.98815	89.2
89.01928	3.7
89.02453	61.4
91.01895	2.6
93.03477	3.0
95.01398	4.6
96.96019	5.0
97.02923	3.0
99.00886	11.5
101.02454	42.9
113.02457	22.7
115.04005	3.2
123.04514	8.8
125.02453	14.1
129.44406	1.8
131.03523	9.3
135.00827	2.4
143.03484	3.2
149.04564	22.9
149.99583	2.6
159.02997	5.5
161.02446	3.8
161.04590	18.2
163.07668	5.1
167.03511	13.2
168.00623	4.0
169.08694	2.4
173.04471	2.3
175.03976	2.5
177.04768	2.1
181.08659	2.3
182.49951	2.2
191.05608	21.9
192.05998	2.5
192.34546	1.8
233.06613	9.0
283.11865	33.1
291.09094	1.9
293.08792	18.0
375.12930	3.3
415.16083	100.0
416.16147	5.4
452.63150	1.9
475.14728	6.7
475.17993	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	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63733	1.9
59.01377	75.9
61.35969	2.0
69.71706	9.8
71.01004	3.4
71.01379	46.4
72.96487	2.2
73.02936	2.2
74.82848	2.0
89.05056	2.0
97.02971	2.1
109.06577	7.4
123.16016	1.9
125.09727	2.0
162.83897	2.5
163.11275	6.8
171.10291	2.7
181.12320	2.7
185.11768	2.3
189.09161	2.3
201.11272	6.6
207.10229	26.6
215.12691	2.3
225.11353	21.1
226.11758	2.2
234.04204	2.0
293.21390	3.2
299.15161	2.1
330.15259	2.2
475.34537	100.0
476.34320	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03563	6.3
53.23819	5.6
54.88981	6.0
59.01375	20.3
69.33424	42.3
71.01400	10.5
85.02978	6.0
100.41668	5.9
101.10882	6.2
115.38229	5.8
119.82072	6.6
181.07210	24.5
239.35529	6.3
277.21671	30.0
319.22696	7.3
353.18265	7.1
415.87897	7.5
475.33429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1643
Annotation	tryptoquialanol
Peak:m/z	Relative Intensity
59.01382	15.5
61.98828	0.6
62.81164	0.3
69.49441	2.3
71.01377	1.7
72.99347	0.4
73.02938	0.5
79.95743	7.4
80.96530	1.3
85.02969	1.0
87.00874	0.4
89.02459	0.8
93.03445	0.6
95.95240	3.2
96.96014	75.9
101.02459	1.9
109.02889	0.4
113.02478	0.6
119.85235	0.3
122.97578	0.9
137.02487	1.2
138.97050	1.0
150.97063	1.7
152.98647	3.0
173.04521	0.6
180.98120	2.3
191.05583	1.6
192.06094	0.4
198.99255	0.7
222.99397	0.4
225.00787	1.2
239.43239	0.3
241.00232	9.8
256.99765	2.0
297.22186	0.4
415.23572	0.5
475.16440	100.0
476.16837	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1644
Annotation	tryptoquialanol
Peak:m/z	Relative Intensity
51.60194	0.3
59.01381	2.5
61.98830	0.3
70.21326	0.2
70.29700	0.7
70.30055	0.5
71.01384	1.1
72.99310	0.4
73.02938	0.4
78.13497	0.3
79.95740	6.3
80.96519	1.5
83.15607	0.2
85.02956	1.0
87.00897	0.6
89.02431	0.6
93.03461	0.4
94.67949	0.3
95.95219	2.0
96.96013	75.3
99.00881	0.3
101.02459	1.3
113.02429	0.4
122.97628	0.5
126.04838	0.3
135.04535	0.5
138.97043	0.6
150.97049	1.6
152.98598	1.6
168.98180	0.3
169.06570	0.3
177.04022	0.9
179.03445	0.3
180.98169	2.0
191.05676	1.3
202.51190	0.3
203.04079	0.2
241.00243	5.2
256.99716	5.3
322.54984	0.3
344.28989	0.3
475.16422	100.0
476.16788	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	475.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43436	0.3
55.98456	0.4
59.01383	12.4
63.22256	0.4
71.01379	1.4
79.95738	6.9
80.96516	1.3
85.02946	1.1
89.02442	0.9
93.03450	0.6
93.64404	0.3
95.95237	2.4
96.52525	0.4
96.96014	69.0
101.02480	1.7
110.47112	0.4
113.02475	0.6
122.97581	0.6
124.17252	0.4
135.98326	0.4
137.02434	0.7
138.97067	0.8
150.97079	1.3
152.98622	3.4
153.63177	0.4
156.35205	0.4
173.04622	0.5
177.04156	0.5
180.98109	2.1
191.05624	1.8
225.00774	0.8
241.00240	8.4
242.78879	0.4
256.99622	1.7
336.63098	0.4
362.07068	0.4
415.23685	0.5
475.16440	100.0
476.16797	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14989	0.8
70.03580	2.8
71.01389	14.3
72.99306	2.6
80.92941	0.8
87.00824	0.9
89.02460	3.5
115.00384	40.4
132.03001	1.8
133.01440	100.0
156.11174	0.9
191.05580	2.1
257.42093	1.0
359.32730	1.0
377.08368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.8
69.03492	1.2
69.33062	6.0
70.97772	0.9
71.01382	11.6
73.02956	3.5
79.60661	0.9
83.01378	1.1
85.02952	3.0
87.00871	3.3
89.02448	16.1
91.79024	0.8
93.03471	1.2
96.96007	2.0
99.00881	1.2
101.02441	5.5
101.79961	1.1
107.31513	0.9
113.02456	4.0
119.03499	1.1
121.02961	100.0
122.03281	1.7
125.02446	3.6
131.03487	2.9
149.04543	8.1
161.02528	1.3
161.04599	2.4
167.03491	2.0
181.08707	1.2
191.05611	6.3
292.03488	1.2
293.08807	9.8
296.55270	1.0
367.37241	0.9
375.13132	1.9
397.00742	0.9
406.83600	1.0
415.12384	4.3
475.12793	1.7
475.18536	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78803	1.2
59.01376	26.2
61.98826	12.2
67.01888	18.5
68.99818	18.6
71.01379	27.2
71.05002	1.4
71.55470	1.4
72.99307	3.1
74.02482	2.9
75.00867	1.7
81.03454	1.8
83.01405	1.7
85.02934	6.3
87.00874	1.8
89.02450	21.8
93.03448	3.2
95.54591	1.3
96.96021	2.3
99.00877	2.4
99.04510	4.8
101.02437	55.8
109.02946	13.3
111.00873	1.5
113.02442	8.1
115.00358	3.2
115.04021	8.5
116.03532	3.6
117.03505	2.7
118.98080	2.8
119.03514	7.3
119.05025	1.8
121.02967	11.1
123.04529	3.5
127.04008	100.0
131.30731	1.3
133.02991	6.4
133.06544	1.9
135.04524	12.2
137.02434	2.4
137.06055	1.5
138.50462	1.2
139.03984	2.7
143.03502	2.9
145.02951	5.0
147.04463	1.5
149.02399	1.4
151.04007	2.0
161.02408	14.1
161.04524	2.6
163.03984	3.2
173.02388	3.7
177.05569	9.2
179.03479	2.6
179.05649	4.8
181.05064	3.6
191.03482	11.8
191.05608	5.0
193.04993	10.7
197.04503	1.7
197.08179	3.5
205.05006	4.1
209.04604	2.4
210.54208	1.4
221.04564	2.3
223.06128	15.2
241.07150	94.7
242.07504	3.8
313.08237	3.0
354.28537	1.4
369.97992	1.5
371.09991	2.2
403.12402	17.4
475.13934	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	473.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
59.01386	1.9
71.12797	0.4
79.49086	0.4
80.06748	0.3
87.00821	0.5
123.03213	0.4
125.96638	0.4
134.33386	0.4
151.60577	0.4
221.61267	0.4
277.21701	0.7
383.29318	0.4
415.28564	0.5
427.31580	1.4
429.29602	2.1
455.30942	0.6
473.32196	100.0
474.32516	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	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
69.66570	0.4
69.66977	0.8
71.01376	0.4
78.95908	7.3
98.19910	0.4
111.08186	0.2
140.01215	1.9
152.99602	1.1
156.80144	0.2
159.77907	0.2
162.83891	0.8
170.66411	0.2
196.03828	1.5
214.04860	3.4
233.22746	0.3
259.20847	0.4
267.26572	0.2
275.20117	0.5
277.21719	100.0
278.22104	4.6
339.30527	0.2
416.28894	0.3
438.08847	0.2
456.32047	0.3
474.26266	12.0
474.33124	5.5
475.26733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
59.04602	0.9
61.98798	0.8
62.78521	1.0
63.43839	0.8
70.44279	1.8
70.44614	1.5
121.06601	10.4
121.07282	0.9
124.62502	0.9
133.06630	2.1
133.38383	0.9
149.09723	82.3
150.10091	1.4
158.12216	0.9
163.11372	3.4
205.16084	3.6
231.40146	0.8
275.77887	0.9
297.18604	6.9
311.20169	24.2
311.23639	1.2
312.20593	1.6
323.20151	19.3
323.23651	1.2
324.20465	1.2
457.25595	2.4
464.36032	0.8
473.30661	100.0
474.31149	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3274
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
57.03443	1.7
57.04540	0.2
59.01391	0.4
69.72432	0.2
70.29646	0.6
70.30045	0.5
71.38536	0.2
78.95910	0.9
83.05042	0.3
87.59225	0.2
105.27444	0.2
123.39348	0.3
130.30112	0.3
153.95709	0.3
155.02231	0.3
165.82941	0.3
171.00629	0.3
218.88902	0.3
224.33063	0.3
276.49579	0.3
339.27008	0.3
372.41431	0.3
384.86301	0.3
397.31253	0.7
399.32147	0.3
425.30655	0.6
427.32211	0.8
429.29932	0.3
443.32050	0.7
455.31918	0.3
471.31534	0.3
473.32718	100.0
474.26111	0.9
474.32962	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05078	0.4
52.34122	0.4
59.01380	100.0
62.38049	0.3
71.08440	1.0
72.56120	0.4
75.00884	0.5
86.61406	0.4
217.00378	0.6
237.69547	0.5
264.34415	0.6
393.28149	1.1
395.25818	0.5
397.27652	1.7
409.27615	1.1
411.29178	1.4
425.27335	0.8
435.35403	0.4
455.27979	0.8
473.28842	10.1
473.33209	15.5
474.28647	0.7
474.34067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01386	4.5
59.94551	0.7
69.03457	2.2
71.01364	1.8
75.00884	0.5
76.40624	0.5
83.05022	0.9
96.96024	1.4
97.02960	4.9
101.02435	0.7
105.43988	0.7
109.06623	0.8
111.08162	10.5
125.09681	1.6
127.07655	0.9
137.09734	1.2
151.11310	0.8
153.12817	0.8
160.74582	0.5
163.11284	1.5
165.12863	3.0
167.14481	0.6
169.12346	3.4
171.10272	2.7
181.07153	1.7
181.12332	1.4
183.13776	0.6
193.12367	1.1
197.11830	36.1
198.12172	1.0
199.13379	1.1
200.64665	0.5
209.11925	1.2
211.13388	7.2
217.95474	0.5
223.13351	0.7
227.12863	2.2
247.20686	1.9
263.20209	1.8
265.18079	1.0
287.16574	1.2
291.19669	25.7
292.19986	0.9
293.21246	5.1
305.17529	1.7
309.20721	100.0
310.21136	3.6
311.22391	0.8
318.92789	0.6
335.35599	0.6
337.95288	0.7
349.92316	0.7
450.77408	0.6
473.27368	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	473.1716
Annotation	Petromurin D
Peak:m/z	Relative Intensity
59.01393	2.9
61.98856	0.6
64.17451	0.5
70.70064	2.0
71.01379	0.7
71.02509	8.8
72.99316	28.9
79.95750	5.2
81.03456	1.0
91.05558	0.6
93.03469	1.2
95.95274	2.4
96.96022	12.4
99.04551	0.7
101.02467	1.5
108.45298	0.6
110.01221	1.3
111.02025	4.4
111.04523	0.8
116.05119	2.5
118.06677	1.4
134.03735	1.1
135.04550	1.4
142.06683	0.7
146.06148	2.6
150.97116	1.5
161.02519	0.9
163.08818	1.7
173.04604	2.2
183.08253	2.7
185.07202	3.1
191.05728	2.6
191.08838	0.8
195.08182	4.5
197.96797	0.6
206.07492	2.0
207.08145	1.8
209.09712	9.2
219.08208	4.8
221.09715	14.0
221.11803	0.9
223.07771	0.9
225.09267	7.1
235.07738	2.6
237.09174	5.5
239.10834	2.3
241.00267	1.2
244.07690	1.6
246.06906	3.8
246.09355	6.4
247.07652	5.5
249.09232	0.7
253.08719	1.3
258.09317	1.2
258.95337	0.7
259.10236	1.3
261.07654	0.7
262.08868	1.0
263.07281	2.9
265.08710	6.7
269.08273	1.2
271.09906	2.0
280.09857	1.6
283.09698	8.0
284.10083	0.9
290.08209	4.2
291.06613	5.7
292.07108	0.9
293.08386	1.0
294.09113	1.2
295.09793	1.5
308.09369	1.4
309.07700	21.9
309.11301	1.2
310.08121	0.9
310.14038	0.7
326.10556	0.9
350.15619	1.4
366.15207	1.1
394.14856	1.0
412.15543	7.3
437.14386	1.0
455.16086	4.4
456.15112	0.8
457.15613	0.7
459.59360	0.7
473.17218	100.0
474.17554	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	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23431	2.1
57.03444	2.8
57.73172	2.0
59.01377	65.4
67.01894	2.9
69.03445	5.1
71.01006	3.7
71.01384	53.0
72.01698	2.3
72.99303	3.3
73.02947	9.7
75.00871	3.2
77.74736	1.8
81.03442	4.8
83.01384	5.3
85.02964	11.0
87.00876	6.2
89.02446	64.3
93.03468	8.1
93.39117	1.8
95.01390	2.8
96.96008	10.0
97.02964	12.0
98.20781	2.7
99.00890	15.1
99.04540	4.1
101.02438	19.5
109.05444	2.0
111.00893	3.6
112.93809	2.2
113.02428	7.4
115.04021	4.1
119.03601	3.1
119.05032	82.3
120.05386	2.2
125.02455	32.7
125.66380	2.2
131.03493	8.3
132.04544	2.2
135.04553	2.2
137.02394	2.3
143.03500	3.2
147.04541	10.3
149.04544	14.7
152.07167	4.0
161.02394	2.9
161.04555	4.7
161.06041	6.2
173.04527	4.6
189.05722	2.1
191.05605	32.8
202.20245	2.1
229.01500	2.4
230.42160	2.6
233.06667	25.0
264.60071	1.9
293.08774	100.0
294.09009	4.8
317.03812	2.4
325.11386	3.2
339.12152	2.2
341.75360	2.1
369.14374	3.5
401.11194	2.8
413.14404	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30772	0.2
74.56815	0.2
81.24326	0.2
154.92339	0.2
378.51334	0.2
471.34784	100.0
472.35144	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	471.3475
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01368	1.6
69.20834	3.4
69.21249	6.3
73.02942	26.6
97.45983	0.9
122.55332	1.0
180.61696	1.0
213.30229	1.0
260.96045	1.0
279.23135	1.7
321.76514	1.0
353.28116	1.3
407.33105	1.4
427.31732	2.4
453.33762	2.4
471.34766	100.0
472.35172	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	473.095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67820	0.4
57.03443	0.5
59.01369	1.6
61.98822	1.0
65.54111	0.3
69.36705	2.5
71.01375	1.3
78.95907	17.2
79.95757	2.3
83.01392	0.8
85.02963	0.5
89.02450	1.4
96.96011	100.0
96.96962	34.3
98.02474	0.6
101.02461	0.9
107.01675	0.3
109.02951	1.9
110.98723	0.4
113.02468	0.5
120.24732	0.3
121.06597	0.4
123.04496	0.6
135.04523	2.8
149.06053	2.3
161.06065	1.1
165.05707	0.4
167.07097	0.8
171.04459	0.6
173.06177	0.4
174.03242	0.5
177.05603	2.5
179.03494	0.9
189.05574	8.9
191.05586	0.7
193.04974	0.4
196.51289	0.3
207.06656	1.8
210.62015	0.4
221.04611	1.8
229.07182	0.8
231.06680	0.5
249.07532	0.4
311.07852	2.9
351.10788	0.8
387.17847	0.4
391.12442	2.4
413.10611	6.0
473.12811	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
58.49263	0.2
59.01380	0.4
69.39830	1.5
152.64883	0.2
178.88586	0.2
234.15891	0.2
414.23840	0.2
420.13745	0.2
423.32852	1.3
435.32742	0.2
441.33633	0.4
453.33743	2.5
471.34769	100.0
472.35107	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	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05032	1.3
71.17573	0.5
89.57285	0.3
157.38597	0.3
197.36311	0.3
407.33081	0.7
411.32892	1.0
427.36154	0.8
441.34171	0.7
451.32382	0.8
453.33743	11.9
454.34244	1.1
471.34927	100.0
472.35223	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	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.3
59.75702	0.5
60.59966	0.4
60.94693	0.4
61.98828	1.0
69.51972	2.6
71.05013	0.5
83.04998	0.4
97.06610	3.1
99.92604	0.4
125.50995	0.5
127.33447	0.4
141.01720	1.0
160.84242	0.7
162.83928	2.9
164.46274	0.6
164.83636	1.0
198.77087	0.4
208.45439	0.4
272.29068	0.5
361.73776	0.4
389.28415	1.2
391.30249	3.0
405.31525	2.8
407.33197	6.7
409.40250	0.5
418.07065	0.5
441.33951	2.0
451.32196	7.6
453.33737	37.0
454.33997	3.0
471.34933	100.0
472.35312	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47912	0.3
57.03442	1.0
59.01380	0.6
70.64021	0.3
70.77682	0.6
70.78020	0.3
71.01387	0.3
71.27282	0.2
73.02951	0.5
81.03449	0.5
83.05047	0.5
87.60934	0.3
117.72104	0.4
124.53117	0.3
138.86377	0.3
300.75461	0.3
365.28586	0.7
379.30142	0.5
381.27942	0.6
391.30331	0.6
409.31155	2.0
423.29187	0.8
425.30630	0.4
441.29803	1.8
443.45535	0.4
453.28937	2.5
471.30515	100.0
472.30914	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
59.01384	1.9
71.05002	0.4
71.55964	0.5
80.55786	0.4
117.13381	0.4
130.13516	0.4
134.97954	0.4
147.10992	0.4
160.84184	1.2
162.83951	1.8
206.70778	0.4
261.05643	0.4
367.29950	0.7
411.28882	0.4
413.26828	0.5
427.32196	1.0
429.30093	0.7
441.33664	0.9
453.33499	1.3
463.60489	0.5
471.35086	100.0
472.19116	0.4
472.35269	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	471.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90839	0.8
57.03441	1.6
59.01383	14.5
62.04977	0.9
69.03454	3.2
71.01386	9.8
71.08994	1.7
74.01635	0.9
85.02940	2.4
87.00894	1.4
89.02434	5.2
93.03490	1.9
97.06574	1.6
101.02447	4.6
109.06552	1.6
113.02433	2.9
121.10229	3.3
123.08269	0.9
125.09732	5.4
161.02444	1.6
165.48009	0.9
171.10277	0.9
185.11823	3.4
195.13945	3.0
211.13393	24.4
212.13805	1.0
220.20238	1.0
223.13472	1.1
239.12900	2.5
291.19650	32.9
292.19937	2.4
309.20721	10.2
385.15195	1.0
403.81537	0.8
435.40536	0.9
451.93704	1.1
471.25961	100.0
472.26453	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
60.99289	0.5
64.70276	0.3
65.34879	0.4
70.55864	0.8
70.56190	0.4
81.03426	1.2
98.03738	0.5
100.51546	0.4
115.67707	0.4
172.32169	0.4
216.84592	0.3
316.97745	0.4
318.62891	0.4
365.28406	0.8
381.27744	0.7
409.31100	0.9
423.28876	1.3
425.30203	0.5
441.30133	2.1
453.29196	2.8
471.30856	100.0
472.25186	0.5
472.31262	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	471.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	71.8
61.98829	12.8
71.01379	35.8
73.02940	7.0
81.60699	6.0
85.02968	9.4
87.00903	8.1
89.02466	48.4
93.03453	17.2
96.96008	22.9
98.19854	16.7
99.00895	11.0
99.04534	7.8
99.68331	8.2
101.02451	27.3
105.64481	9.2
113.02458	14.7
131.00975	7.2
131.03561	9.8
133.02959	10.7
149.04494	34.0
161.04509	10.4
162.06693	8.9
173.04544	11.6
191.03616	9.9
191.05615	41.2
216.04176	8.3
218.73073	8.3
220.95680	7.4
287.51172	7.1
337.05603	30.6
374.06210	18.8
435.12885	12.4
435.22299	100.0
471.20303	95.2
471.34760	30.4
472.20508	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	471.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.1
59.01381	0.8
61.98827	0.7
69.44580	0.2
69.44984	0.7
71.01382	1.1
73.02927	0.2
75.00885	0.1
78.95915	0.2
81.03465	0.6
85.02962	0.5
87.00883	0.2
88.04487	0.1
89.02450	0.5
89.03973	1.9
90.55943	0.1
93.03475	0.6
95.05063	0.3
96.96020	2.4
96.96965	0.1
99.00898	0.3
101.02451	0.7
104.02699	0.4
105.03467	3.4
108.02172	0.2
109.02965	0.4
111.00831	0.1
113.02455	0.3
116.92872	0.1
121.02968	0.2
123.04544	0.2
133.02963	8.4
134.03607	0.2
143.03488	0.1
145.02962	0.1
148.01686	0.3
149.02444	0.9
152.01157	0.2
153.01939	0.2
160.04059	0.1
161.04581	0.4
176.01167	1.4
177.01933	100.0
178.02281	2.6
181.08620	0.1
191.05611	2.1
193.04996	0.4
219.02945	0.2
279.14490	0.5
288.50174	0.1
394.44043	0.1
411.18756	1.6
471.11380	20.6
471.34616	0.4
472.11658	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1141
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.39987	0.1
59.01369	0.1
71.01376	0.2
81.03446	0.3
85.02921	0.2
85.22456	0.1
88.95092	0.1
89.03964	1.5
93.03446	0.3
96.96025	1.1
101.02416	0.2
104.02690	0.4
105.03457	3.2
109.02954	0.3
116.92842	0.3
132.53989	0.1
133.02959	8.9
134.03305	0.2
135.04492	0.2
148.01689	0.4
149.02441	0.9
152.01273	0.2
159.32649	0.1
173.04637	0.1
176.01160	1.4
177.01926	100.0
178.02269	2.8
180.72203	0.2
191.03876	0.2
191.05574	1.7
222.58539	0.2
298.40170	0.1
388.76447	0.2
411.18588	0.4
436.17346	0.2
471.11383	21.5
472.11725	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3323
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
63.89418	0.3
83.98414	0.3
84.51651	0.3
85.06593	0.4
85.48096	0.3
242.31851	0.3
262.18594	0.4
278.99005	0.4
279.62738	0.3
339.26859	0.5
349.77911	0.4
395.32944	0.4
407.33295	0.6
423.33005	2.1
451.32159	0.7
469.33191	100.0
470.33551	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	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
60.99290	0.8
67.47616	0.2
69.55903	1.1
73.02976	0.2
75.40890	0.2
78.60255	0.2
82.65601	0.2
97.06592	2.0
107.05002	0.2
123.08133	0.5
156.79080	0.2
164.19601	0.2
194.00894	0.2
351.26898	0.9
358.16806	0.2
367.26202	0.3
388.35083	0.2
407.33185	8.3
408.33478	0.7
421.31165	1.4
423.32651	5.5
424.32831	0.5
425.34277	0.8
451.32135	11.1
452.32336	1.0
455.31339	0.3
469.33185	100.0
470.33557	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	469.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12629	0.5
59.01101	0.9
59.01384	10.6
60.80002	0.5
61.98828	3.2
63.78981	0.5
71.01391	3.9
71.54338	0.5
71.54682	0.6
73.02946	1.1
78.95910	1.1
79.95728	2.7
80.91682	0.6
83.01382	0.7
85.02959	1.7
85.05341	0.5
87.00877	1.0
89.02434	2.5
93.03444	1.2
96.96019	100.0
98.95618	0.6
99.00880	0.5
99.04601	0.5
101.02437	2.6
101.49524	0.5
109.64416	0.5
111.04479	0.5
113.02429	1.1
119.03510	1.1
120.99685	0.9
123.04494	0.5
123.56065	0.5
133.02893	0.5
133.05095	0.8
135.04524	1.6
137.02458	0.7
138.01984	0.8
138.97081	5.6
143.03513	0.6
148.58286	0.6
151.76874	0.5
161.02480	1.1
163.04083	0.6
173.04555	1.6
186.28244	0.5
187.03937	0.5
191.05617	9.4
192.05927	1.0
193.06116	1.0
198.99187	1.5
227.12946	4.7
229.08420	0.7
230.02182	1.0
239.78577	0.5
245.04469	1.1
247.06577	1.2
259.01218	0.6
276.90851	0.5
289.07535	5.6
289.11737	0.9
307.08597	9.3
337.18771	0.6
349.09647	17.9
350.10168	0.7
379.10556	2.7
387.16617	1.3
389.79050	0.6
409.11737	16.1
409.16553	0.8
410.12137	0.8
431.15536	3.0
468.25644	0.6
469.13840	94.3
470.14142	5.4
483.24084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54868	4.1
59.01376	12.6
67.01904	5.7
67.89902	4.7
69.44479	30.2
71.01382	13.6
75.67796	3.7
77.30061	3.7
79.83826	3.6
79.95730	17.6
87.00872	18.0
89.01299	4.1
89.02495	4.4
93.03458	81.4
94.03791	26.1
95.95248	6.0
96.61050	4.7
96.96010	66.8
101.02418	4.5
111.04532	7.3
114.19268	4.1
122.00581	4.2
134.03758	17.1
135.04439	7.7
137.02405	5.0
158.69899	3.8
173.04549	48.3
174.04906	20.3
175.05061	21.8
191.05629	25.1
192.05882	5.4
193.06023	8.0
218.97905	4.9
296.59290	4.0
409.20770	9.5
433.24307	14.7
439.56552	4.9
443.62759	4.3
451.15103	23.3
469.11426	39.7
469.16272	51.4
469.22089	100.0
470.22516	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	469.1176
Annotation	Shogasulfonic acid D
Peak:m/z	Relative Intensity
60.62996	0.5
60.99296	0.5
65.45546	0.5
70.88530	1.1
70.88860	0.5
71.01366	0.5
72.61920	0.5
79.95741	47.4
85.51266	0.5
93.03461	2.5
94.03806	0.8
95.95234	13.3
96.96014	100.0
100.60121	0.5
110.97585	6.0
123.00912	0.5
141.95792	1.1
147.76683	0.5
149.99930	1.2
152.01053	0.7
167.03522	1.5
173.04558	1.7
174.04813	0.7
175.05150	0.6
186.49454	0.4
191.05615	1.3
200.93582	0.5
208.07336	0.5
208.14122	0.6
239.85822	0.6
273.04361	0.8
287.02237	0.5
289.03824	1.8
327.53339	0.5
450.85535	0.5
451.14880	1.1
454.09366	3.4
469.11667	98.4
470.12018	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	469.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.1
61.98827	1.0
69.60094	2.9
71.01386	1.5
73.02959	1.2
73.75266	0.5
79.95748	2.2
80.91695	0.5
83.01384	0.6
83.05024	0.5
85.02954	0.5
88.98819	4.7
89.02451	2.1
93.03442	0.8
96.96016	100.0
98.19955	0.7
101.02451	1.7
119.05048	1.1
125.02438	0.5
135.04475	0.5
138.01990	5.4
138.42262	0.4
138.97093	4.0
139.02322	2.0
143.03485	1.6
163.04037	1.0
179.03363	0.5
191.05608	2.2
198.99187	1.5
212.96965	0.5
227.12903	5.0
229.08438	1.0
247.06369	1.0
289.07565	5.3
307.08521	6.5
349.09628	19.5
350.09735	0.7
379.10571	2.5
387.16522	0.6
409.11661	15.0
410.11935	1.0
469.13654	89.1
470.14008	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24989	0.2
59.01384	5.5
61.98834	100.0
70.15241	0.2
71.01382	2.2
71.55856	0.3
73.02945	0.5
79.95753	0.9
85.02515	0.2
85.02948	1.1
86.03302	0.3
87.00894	0.4
89.02448	1.9
90.02747	0.2
93.03467	0.8
93.04397	0.2
94.96404	0.2
95.01398	0.2
96.96017	23.8
97.95956	0.5
98.95568	0.8
99.00916	0.2
101.02449	1.3
113.02457	0.8
114.02784	0.3
116.94095	0.2
119.03500	0.7
119.05042	0.6
121.02934	0.2
138.01971	0.5
143.03473	0.4
149.04491	0.3
161.04501	0.3
163.04022	0.6
167.10756	0.2
173.04593	0.3
177.01762	0.2
179.05664	0.4
180.04259	0.3
191.05609	4.3
192.05956	1.6
195.06494	0.3
205.08749	0.3
226.11613	0.2
227.12878	1.0
248.89503	0.2
260.94504	0.2
277.12827	0.4
289.07321	0.7
300.62509	0.2
305.07050	0.3
306.07220	0.4
307.08630	1.4
347.08267	0.3
348.08255	1.1
349.09653	1.2
378.08853	0.3
407.22610	0.3
408.10733	1.2
408.23035	1.9
409.11301	0.9
409.16833	0.5
416.84985	0.2
431.15601	0.6
432.15921	1.4
468.12384	9.1
468.25253	0.9
469.13437	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	469.081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
59.01382	1.5
61.98824	2.0
71.01380	0.9
73.02936	0.7
73.04308	0.4
79.95743	3.4
80.96532	2.4
85.02962	0.8
87.00870	0.7
93.03456	1.9
96.96016	100.0
101.02438	1.6
113.02438	0.6
121.02952	2.7
122.97594	0.8
132.90945	0.4
134.03687	0.4
135.04495	0.6
138.00238	0.4
138.97040	0.8
145.90782	0.5
147.04486	0.9
150.97095	0.5
152.98650	6.4
161.02461	1.1
173.04601	0.7
180.98122	2.3
191.05611	0.9
193.77422	0.4
227.07111	1.7
239.07077	0.5
241.00241	53.1
242.00485	1.4
283.09857	0.8
295.47672	0.4
337.29172	0.4
373.09109	0.5
385.42709	0.4
388.21863	0.8
426.03882	0.4
433.11185	0.5
469.08160	41.2
469.14847	3.4
469.22885	0.9
470.08060	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.9
61.98832	9.9
67.01896	0.4
70.86620	0.8
71.01389	7.4
72.99352	0.4
73.02956	3.3
78.91883	0.4
79.95742	3.4
83.01413	0.9
85.02963	3.3
87.00878	1.1
89.02456	8.2
93.03463	2.4
96.96017	100.0
97.02974	0.5
99.00888	1.7
101.02448	4.8
111.04531	0.4
113.02464	2.4
119.03493	2.5
119.05018	1.1
131.03496	1.0
138.97070	1.1
143.03474	0.8
149.04555	1.9
161.04512	0.7
163.04002	0.8
173.04601	2.6
176.04771	0.6
177.01906	0.8
177.09184	0.5
179.05611	1.7
187.07668	0.7
191.05609	15.5
192.06007	0.9
202.06490	0.4
205.08694	0.8
207.86624	0.4
215.07101	0.5
225.11346	2.5
231.10229	0.8
249.11278	1.8
287.06000	0.9
305.07019	5.1
305.19675	2.4
347.03976	0.7
347.08041	10.1
348.08087	0.6
366.03696	0.4
377.09045	1.0
383.65311	0.5
407.10184	9.5
407.22305	0.8
408.10358	0.4
423.18552	0.5
431.15588	11.6
432.15756	0.7
467.12192	69.1
467.25266	6.6
468.12570	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	466.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
60.12473	0.3
61.63283	0.3
61.98829	100.0
68.99824	0.4
98.20691	0.6
101.02444	1.8
102.02803	0.7
103.02846	0.4
109.26958	0.3
127.03996	0.5
137.53934	0.3
140.04384	0.5
141.04526	0.3
145.83997	0.3
242.07553	0.8
243.08296	0.4
244.09308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03432	0.6
59.01375	2.2
60.99294	0.7
61.98827	0.7
67.01884	1.5
68.67128	0.4
68.99815	5.9
69.03457	1.1
69.76452	2.9
71.01382	2.2
72.99326	0.5
73.02944	0.7
73.15024	0.5
79.95726	3.4
80.84119	0.5
80.96522	1.7
83.05045	0.7
85.02950	4.1
87.00872	3.3
93.03458	11.8
95.95200	0.7
96.96013	100.0
98.29448	0.5
99.00910	0.5
101.02453	16.3
102.06287	0.5
105.03463	1.1
109.02945	1.0
111.04535	2.6
113.02476	0.5
119.05028	0.9
122.97553	0.7
123.04537	8.8
127.03994	1.5
130.32016	0.6
131.05055	0.5
137.02448	1.4
138.97086	2.0
147.04514	2.6
149.06047	1.1
150.97075	1.1
152.98659	4.9
155.03540	0.6
163.04025	1.1
164.98613	1.1
172.05347	0.5
173.04549	7.9
173.06000	0.8
175.03987	0.5
176.04781	1.7
177.09233	1.9
180.98134	2.4
187.07648	2.1
191.05615	40.8
193.05119	0.6
198.99246	1.3
202.06348	1.2
205.08775	2.1
207.06639	3.8
225.07700	0.6
231.10262	2.7
241.00233	49.8
242.00551	0.9
249.11223	2.7
257.08173	2.6
259.01242	5.8
275.09363	2.8
293.10229	1.4
341.15024	0.5
416.05042	0.5
435.05887	4.5
449.14539	4.1
467.08786	92.7
467.15686	16.5
468.09119	4.8
468.16055	1.4
474.06561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
61.65027	0.3
61.98832	100.0
69.78750	1.6
71.01414	0.4
72.99346	0.3
78.95923	0.6
80.57652	0.3
89.02438	0.4
92.69541	0.3
96.95992	0.7
96.96999	0.7
98.20034	0.4
101.02467	0.9
111.02033	0.5
127.04017	1.4
128.04399	1.1
185.37201	0.3
195.06671	0.8
196.07037	0.4
238.97984	0.3
241.07304	0.9
242.07603	0.9
243.07822	0.8
244.07999	0.5
245.02151	0.3
271.26678	0.3
406.13306	1.0
408.95651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29190	0.4
59.01390	0.5
61.98833	100.0
64.89574	0.3
67.01890	0.6
72.04090	0.3
76.74374	0.3
98.20658	1.0
101.02485	0.9
117.29152	0.4
121.12675	0.3
127.04031	1.3
128.04375	0.8
129.04475	0.5
135.40314	0.4
141.50656	0.3
241.07178	0.7
242.07512	0.9
243.07767	0.5
244.08063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98835	100.0
70.99586	0.6
71.01411	0.4
96.96020	2.6
101.02476	0.8
102.02792	0.5
104.62566	0.3
107.61617	0.3
109.02937	0.5
134.07578	0.3
191.05641	1.1
198.97227	0.3
205.19643	0.3
307.96249	0.3
347.07971	0.4
467.12415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65836	6.9
59.01379	8.3
62.63685	7.1
63.11943	7.7
68.92171	8.3
71.56017	10.5
73.02372	7.2
87.92268	10.1
91.82189	6.9
99.88753	6.7
116.69032	8.0
135.75203	8.2
143.30698	8.4
194.51917	7.9
255.23341	100.0
293.35657	9.1
364.50497	10.1
404.06573	9.1
465.29764	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	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	3.1
58.00596	0.6
59.01385	100.0
61.98838	5.9
71.01386	14.3
71.08994	0.9
71.09329	0.8
72.42142	0.6
72.99325	0.8
73.02963	1.0
81.03499	1.0
83.01379	0.8
85.02953	6.9
87.00912	1.9
88.98834	1.7
89.02453	22.3
89.03009	1.2
92.18950	0.7
93.03471	2.1
95.01405	1.1
96.96018	3.1
97.02848	0.6
101.02451	9.8
109.02995	0.7
111.04521	0.7
113.02478	7.6
113.24836	0.6
119.03515	10.2
124.25372	0.6
125.02453	3.9
125.53614	0.6
127.04041	1.2
128.03539	0.6
131.03473	1.1
134.07460	1.1
139.07652	0.6
143.03557	2.7
149.04536	1.5
149.09726	8.7
149.62164	0.6
151.00395	1.1
153.01903	0.6
153.09212	4.2
159.03000	0.6
161.04585	5.2
167.10791	17.5
168.11121	0.7
172.05357	0.7
173.04608	2.2
174.03242	0.8
177.01947	0.8
179.03999	0.8
179.05626	7.6
191.05634	34.9
207.13947	0.9
225.14932	4.0
229.08778	1.6
243.16019	4.0
269.73666	0.6
271.06052	0.9
273.07718	11.4
285.04047	3.8
285.12427	1.3
303.05045	3.5
335.13397	0.7
405.21335	21.1
406.21817	1.1
447.13290	1.4
464.61786	0.6
465.15170	1.2
465.23709	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05811	0.2
52.13381	0.2
57.34195	0.3
58.42000	0.2
59.01384	0.6
61.31091	0.2
61.98829	100.0
62.69553	0.3
65.67402	0.2
66.52291	0.2
69.49101	1.2
69.49512	0.6
71.01367	0.5
73.02941	0.3
96.96048	0.4
99.47695	0.3
101.02424	0.3
191.05603	1.8
211.42754	0.3
227.03496	0.3
242.07697	0.3
265.24014	0.3
273.07715	0.4
339.82547	0.3
404.15521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1054
Annotation	(2R,3R)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
57.03450	10.4
58.00586	1.7
59.01110	1.0
59.01384	17.4
59.03975	0.9
60.01699	2.3
61.01799	1.3
61.98822	1.1
65.00323	2.5
67.01882	0.9
69.25809	3.1
69.26234	4.2
71.01384	12.3
71.95408	0.9
72.01714	2.1
72.99316	1.0
73.02965	4.4
75.00877	1.7
83.01395	4.1
85.02945	4.2
87.00850	1.1
89.02452	19.0
90.02770	2.8
91.02887	0.9
93.03447	1.6
95.01388	4.6
96.96006	2.1
99.00909	3.9
101.02452	10.0
102.02783	2.4
103.02897	1.0
107.01380	3.1
108.21993	0.8
109.02953	3.6
111.00918	1.9
113.02418	4.1
113.31034	0.7
114.02805	0.9
119.03506	2.0
119.04996	0.9
121.02968	1.3
122.03785	0.9
123.00904	2.1
123.04520	2.9
124.01694	7.7
124.18011	0.8
125.02460	100.0
126.02760	2.3
131.03487	3.4
133.03003	1.3
137.02415	2.3
137.05066	0.8
139.00406	1.0
139.04012	1.2
146.03705	0.9
146.45828	0.9
147.04558	1.4
149.02531	3.8
149.03714	0.8
149.04572	9.0
150.03203	2.7
150.04895	3.1
151.00374	11.4
151.03992	4.7
151.05000	1.4
151.99992	0.9
152.01178	15.9
153.01947	6.7
161.06123	1.1
163.00359	1.5
165.01929	1.1
165.05574	0.8
171.04497	0.9
172.05251	0.8
173.06015	1.9
174.03186	2.6
175.04034	6.1
176.01129	2.2
177.01974	4.3
178.99898	7.0
179.05632	1.1
181.01495	1.0
188.04753	1.3
189.05623	4.7
191.03648	1.6
191.05609	16.6
192.05920	1.0
193.05006	3.1
199.04024	1.0
201.01901	0.8
203.07103	1.0
213.05521	1.5
213.87541	0.7
215.07080	1.3
217.05045	9.6
230.05632	1.0
231.06580	2.0
241.05006	2.1
257.04514	1.2
258.05243	0.8
259.06131	12.4
274.04922	1.5
275.05612	9.2
284.03220	1.6
285.04056	24.4
286.04468	1.0
303.05142	10.6
303.13446	1.6
421.11267	2.1
437.10886	19.0
447.09357	7.6
464.21976	5.3
465.10263	88.2
465.22177	8.8
466.10623	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3068
Annotation	ponasterone A
Peak:m/z	Relative Intensity
59.01382	6.4
61.98828	1.0
67.01865	0.4
68.99835	0.5
69.03460	0.4
69.39217	2.3
71.01391	0.9
73.02953	3.6
89.02445	0.7
98.13944	0.3
98.20635	0.6
101.02436	1.4
109.02884	0.5
111.63490	0.3
117.56488	0.3
119.39433	0.3
127.03996	2.5
131.41698	0.3
145.02959	0.3
146.03271	0.4
152.99585	0.4
161.02432	0.3
179.05612	0.4
191.03369	0.4
193.04970	0.4
209.11775	0.6
213.82912	0.3
216.85793	0.3
223.06165	0.4
241.07147	3.4
255.03055	0.5
271.02603	0.5
300.02881	1.1
301.03580	0.7
315.26913	1.2
345.28024	0.8
353.28250	0.4
371.29517	0.7
374.90948	0.4
389.27032	1.9
392.02573	0.4
403.12506	0.6
417.30020	4.0
419.31635	1.4
445.29605	9.0
446.30148	0.6
462.73834	0.6
463.30652	100.0
464.31042	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	464.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81820	0.2
54.08480	0.3
59.01378	5.1
60.01698	0.3
61.98828	100.0
65.04957	0.3
65.78989	0.3
67.01888	0.4
68.99810	1.5
69.03433	0.3
70.70238	0.3
71.01385	2.2
71.55684	0.4
72.99294	0.3
73.02943	0.3
75.00902	0.6
82.80928	0.3
83.01387	0.6
85.02952	1.0
87.00859	0.5
89.02451	2.2
91.69095	0.3
93.03464	1.3
96.96047	1.5
99.00888	0.4
101.02439	5.6
109.02927	0.4
113.02472	0.7
119.03517	0.5
127.04009	2.1
128.04352	0.8
133.02945	0.5
135.04431	0.5
150.03197	0.4
151.00348	1.5
161.04617	0.4
163.03973	0.4
172.99306	0.3
173.04585	0.6
177.05528	0.4
179.05630	0.7
179.71213	0.3
191.05614	5.5
192.05949	0.4
193.05241	0.3
195.06618	1.4
209.11830	4.2
210.12196	3.4
219.03827	0.3
223.06213	0.4
227.12950	0.4
228.13173	0.6
239.05687	0.4
241.07225	1.2
242.07382	1.7
253.09296	0.5
285.04126	0.8
333.15710	0.5
382.55933	0.4
401.10822	3.2
403.20114	0.3
404.13208	0.5
464.23026	0.4
465.14343	0.9
465.19730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3065
Annotation	ponasterone A
Peak:m/z	Relative Intensity
53.87090	0.3
58.00589	0.3
59.01381	5.7
61.98819	1.0
67.01880	0.9
68.99825	0.8
69.66307	0.8
71.01382	1.8
72.38469	0.3
73.02946	13.8
75.00851	0.6
82.43414	0.2
89.02448	1.0
96.95972	0.3
101.02441	2.5
109.02960	0.3
113.02430	0.4
116.22737	0.3
119.03523	0.4
121.02950	0.4
127.04012	3.2
127.04879	0.4
140.54108	0.2
161.02396	0.3
177.05556	0.2
179.05598	0.7
191.03545	0.5
193.04997	0.5
202.08521	0.2
209.11786	0.7
223.05968	0.4
241.07175	5.1
250.20755	0.2
255.02942	0.5
271.02509	0.9
295.22885	0.3
300.02728	1.3
301.03452	0.6
315.26923	4.6
316.27039	0.3
329.23318	0.7
345.27975	2.2
353.28387	0.3
389.26938	5.5
403.12424	0.9
403.28519	0.5
427.28677	0.6
445.29669	5.2
446.29727	0.5
463.09387	1.3
463.30630	100.0
464.24759	0.5
464.30994	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.8
67.04001	0.3
70.56702	1.0
71.01384	2.3
73.02940	0.4
76.75221	0.3
79.70794	0.3
80.02674	0.9
81.03448	0.9
82.11256	0.3
83.01363	0.3
83.05035	4.8
84.02171	0.9
85.02949	0.6
87.00869	0.5
89.02453	2.4
95.05022	0.7
101.02432	2.9
113.02438	1.1
119.03509	0.7
125.06139	0.5
127.04018	0.4
135.08116	0.5
143.03508	0.3
153.12921	0.3
154.58170	0.3
161.04549	1.2
163.11325	3.2
165.12814	2.6
173.55414	0.3
181.12363	0.3
186.80348	0.4
191.05618	0.4
191.10791	0.7
209.11829	100.0
210.12146	3.4
227.12886	16.1
228.13277	0.4
235.08255	0.4
241.07190	0.7
253.09306	13.3
254.09525	0.3
255.03029	0.5
271.02563	1.2
271.05902	0.5
300.02774	1.2
301.03555	0.5
463.08908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70917	0.1
55.01864	0.2
57.03442	0.3
57.44949	0.1
58.00592	0.3
59.01376	5.1
61.98815	0.2
67.01884	0.2
68.99821	0.2
69.03482	0.1
69.26228	0.3
69.26629	1.3
71.01373	3.3
71.05033	0.2
72.99292	0.2
73.02962	0.7
74.03149	0.1
80.02675	1.0
81.03439	1.0
83.01389	0.6
83.05022	4.5
84.02170	1.0
85.02948	0.8
87.00864	0.4
89.02442	3.1
93.03471	0.4
95.01368	0.3
95.05021	0.7
97.02943	0.2
99.00884	0.2
101.02437	3.9
107.01396	0.3
108.02145	0.2
109.02949	0.4
109.06597	0.2
111.08109	0.2
113.02444	1.5
119.03519	0.9
121.02962	0.5
123.38729	0.1
125.06051	0.3
125.09725	0.3
127.04002	1.0
135.04472	0.2
135.08139	0.5
143.03531	0.3
147.11755	0.2
148.01669	0.3
150.77307	0.2
151.00392	1.6
161.02422	0.2
161.04568	1.2
163.00336	0.4
163.11281	3.7
165.11572	0.2
165.12845	2.4
175.03813	0.1
177.05666	0.1
177.79132	0.1
178.99797	0.7
179.05603	0.5
181.12331	0.5
191.03818	0.3
191.05612	1.1
191.10782	1.0
193.04965	0.2
194.56361	0.1
199.13371	0.4
209.11810	100.0
210.12151	3.8
215.03516	0.2
226.02681	0.3
227.03493	0.5
227.12866	18.6
228.13179	0.7
235.08220	0.5
241.07130	1.3
243.03004	1.6
245.04611	0.3
253.09271	13.7
254.02266	0.3
254.09705	0.4
255.02980	3.6
256.03256	0.2
271.02454	9.0
272.02997	0.7
299.01959	0.2
300.02731	12.9
301.03467	7.2
302.03851	0.4
324.13220	0.2
445.20758	0.2
463.08780	11.5
463.22040	0.5
464.08859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60709	0.2
52.35961	0.2
55.01882	0.6
55.71501	0.2
56.15047	0.2
57.03455	0.4
58.00599	1.2
59.01383	28.3
60.01724	0.3
61.98843	0.3
63.02407	0.7
65.00326	1.3
67.01895	1.0
68.99819	0.5
69.03466	0.5
71.01387	23.1
72.99313	1.2
73.02954	6.8
81.03447	0.5
81.07961	0.2
82.36295	0.2
83.01392	2.2
83.05019	0.3
85.02959	4.7
86.03324	0.1
87.00877	1.3
89.02450	30.8
91.01902	0.4
93.03458	1.0
95.01411	0.7
96.96016	0.3
97.02955	0.8
99.00888	10.0
99.04520	0.3
101.02449	17.3
107.01406	2.9
108.02183	1.8
109.02957	2.0
111.00916	0.3
113.02460	6.6
115.04014	0.6
117.03438	0.2
119.01382	0.3
119.03513	4.0
121.02966	2.6
123.00915	0.3
123.04523	0.3
124.01663	0.3
125.02460	2.4
127.04015	3.2
127.04864	0.3
131.03514	5.5
133.02008	0.1
133.02983	0.5
135.00870	0.8
135.04510	0.5
137.02446	0.2
139.04036	0.3
143.03508	1.1
145.02972	0.3
147.00897	0.2
147.04507	0.2
148.01695	1.6
149.04565	20.5
151.00380	11.3
152.01117	0.2
153.01888	0.2
159.03044	0.2
159.04518	0.5
161.02477	0.9
161.04565	2.2
163.00385	3.1
163.04004	0.2
164.01147	1.0
165.01935	0.3
169.01436	0.3
172.05347	0.2
173.02470	0.2
173.04594	0.6
173.06021	0.2
174.03265	0.3
175.03960	0.4
177.05592	0.3
178.99873	5.7
179.05589	1.9
180.00243	0.2
181.90610	0.2
183.04538	0.3
185.02402	0.2
187.03958	0.7
188.04909	0.2
189.02002	0.2
190.99977	0.4
191.03621	0.6
191.05621	8.7
192.00621	0.3
192.05962	0.4
193.01443	0.3
193.04967	0.3
198.03189	0.3
199.03995	0.9
199.13434	0.5
201.01947	0.4
201.05557	0.6
203.03479	0.7
205.04979	0.2
209.11850	2.4
211.03992	1.2
213.01898	0.2
214.02733	0.2
215.03514	0.9
216.04245	0.7
221.06705	0.7
223.06140	0.5
226.02728	2.4
227.03525	3.6
227.07126	0.4
227.12871	2.4
228.04143	0.3
229.01366	0.2
229.05028	0.8
233.06685	0.6
239.03516	0.2
241.07193	4.2
243.02995	13.1
244.03438	0.7
245.04572	1.4
251.07698	1.6
253.09319	0.5
254.02197	2.5
255.02995	27.3
256.03329	1.4
271.02481	65.3
272.02985	4.4
273.04175	1.0
283.02396	1.2
284.03104	0.2
289.07382	0.2
293.08875	0.8
299.02014	1.6
300.02756	100.0
301.03500	41.8
302.03894	1.6
331.17673	3.3
343.04590	0.5
365.94696	0.2
403.12637	0.7
403.19672	0.2
463.08820	73.8
463.21854	19.4
464.09113	5.3
464.22369	1.5
464.28281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73075	0.7
55.01879	1.1
56.57475	0.7
57.03459	1.9
58.00590	1.4
59.01381	100.0
60.01725	0.9
61.98829	7.3
67.01891	5.0
68.99820	4.4
70.28871	1.1
70.29240	2.6
71.01382	29.7
72.99319	2.8
73.02946	6.9
81.03445	1.5
82.95390	3.5
83.01401	2.5
85.02955	9.3
87.00878	2.4
89.02442	25.2
93.03483	2.9
95.01408	2.1
96.96046	2.6
97.02956	1.2
97.55193	0.7
98.19996	0.9
99.00908	4.3
99.04515	1.0
101.02444	33.4
108.72046	0.7
109.02975	2.9
113.02449	12.7
119.03513	8.5
121.02978	2.5
123.04497	0.8
125.02438	1.0
127.04020	24.4
128.56558	0.8
131.03493	2.1
133.03004	1.1
139.03979	0.9
143.03554	2.8
145.02946	1.4
149.04588	2.8
159.03119	1.9
161.02469	2.5
161.04559	10.8
169.08659	1.0
173.02585	0.8
173.04578	1.7
177.05650	1.3
179.05615	7.1
186.84793	0.7
191.03607	3.6
191.05681	10.4
193.05132	1.8
205.05113	1.1
209.11858	1.1
223.06166	3.3
241.07159	28.6
241.14394	1.2
271.06271	1.5
300.02869	1.2
301.03592	1.2
307.14572	0.8
322.19928	0.8
329.16257	1.0
331.14252	1.3
373.18768	4.1
403.12534	5.2
403.19717	52.8
404.19788	3.7
445.17300	1.1
463.17288	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03458	2.6
58.00593	3.9
59.01379	88.2
61.98831	0.8
67.01900	0.9
68.99848	0.6
69.03452	2.0
69.30208	0.6
69.30619	2.3
71.01381	72.0
72.01702	0.5
72.99313	3.6
73.02945	23.2
75.00879	3.0
81.03475	0.9
83.01395	5.2
83.05028	0.5
85.02950	16.8
87.00866	3.4
89.02444	100.0
90.02777	0.7
93.03461	1.9
95.01375	3.3
97.02948	2.7
99.00881	28.6
99.04539	0.4
101.02442	56.8
107.60542	0.4
109.02992	0.7
110.18505	0.4
111.00884	0.6
111.04490	0.4
113.02450	20.7
115.04034	2.3
119.03506	16.1
119.75005	0.3
121.02975	0.4
125.02448	7.0
127.04015	3.6
131.03502	19.5
135.04517	0.6
137.02454	0.7
143.03508	3.9
149.04553	68.6
150.04909	1.3
159.02968	0.7
161.02507	0.8
161.04541	7.5
169.12373	0.5
173.04480	0.8
177.05650	0.5
179.03900	0.5
179.05606	6.5
191.05609	25.7
192.06012	0.7
205.05161	0.4
209.11867	1.7
221.06653	3.1
223.06123	0.7
227.12868	1.6
233.06688	2.3
234.17868	0.4
241.07166	4.4
251.07671	4.8
271.02502	0.5
271.05981	0.8
275.07709	0.4
281.32101	0.4
293.08777	2.5
296.93161	0.5
300.02811	0.8
311.09933	0.7
331.17685	5.0
359.17496	0.4
403.12317	0.8
403.19708	0.8
463.21832	67.6
464.22076	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	33.3
61.06725	2.2
67.01891	17.3
68.99818	12.5
69.48117	15.5
69.48444	3.8
71.01384	10.4
85.02940	4.7
89.02449	17.3
99.04504	3.4
101.02444	54.9
109.02962	9.5
113.02465	4.5
119.03519	7.6
121.02963	7.7
127.04021	92.7
135.79967	2.1
139.03995	4.3
142.27539	2.5
147.04475	3.2
161.02426	13.4
163.04070	2.3
173.02423	2.4
175.26071	2.3
176.68143	2.3
177.05565	6.9
191.03534	15.3
191.05049	3.1
193.05052	11.5
195.06602	4.8
223.06148	11.7
241.07191	100.0
242.07433	5.5
370.64130	2.2
403.12552	19.7
416.00131	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	25.4
63.02027	0.9
64.86048	1.0
68.99818	18.8
69.47546	7.6
71.01377	3.8
80.01369	1.0
81.03468	6.7
84.02148	1.0
85.02934	1.6
89.02464	2.6
93.03481	1.5
97.02978	1.2
99.04510	8.9
101.02444	52.1
111.00882	3.0
111.04511	3.0
121.02937	3.8
125.02407	4.2
127.04021	2.3
129.25958	1.2
135.04547	2.1
139.04027	43.3
140.04306	1.4
143.03490	2.7
161.02408	3.6
181.63864	1.1
191.03503	3.2
191.09668	1.0
193.05028	1.3
195.06593	1.3
209.04482	2.1
223.06154	3.4
241.07173	100.0
242.07640	1.9
403.12482	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	463.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
69.05346	0.4
71.01411	0.5
71.32050	0.7
71.32381	0.6
75.36381	0.4
89.02425	0.6
107.01367	2.2
108.02196	0.8
109.02913	1.0
121.02953	1.4
135.00792	0.5
136.21606	0.4
148.01672	0.7
151.00369	10.6
156.13193	0.4
163.00307	2.2
164.56346	0.5
165.01910	0.4
178.99852	6.0
199.03912	0.5
211.03947	0.5
215.03535	0.7
226.02744	0.6
227.03450	2.0
229.04903	0.6
243.02979	5.9
244.98608	0.5
245.04439	0.7
254.02194	2.3
255.02953	18.1
271.02460	39.1
272.02963	2.9
273.04037	1.2
283.02512	1.2
299.01843	0.9
300.02728	100.0
301.03461	53.4
302.03806	2.2
463.08783	83.2
464.09076	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	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
58.00587	0.7
58.09491	0.2
59.01377	22.4
63.02400	0.4
65.00320	0.9
67.01878	0.4
69.03445	0.3
69.68823	0.3
69.75578	0.5
69.75998	1.2
71.01378	16.5
72.99290	0.9
73.02946	4.5
75.31827	0.3
83.01376	1.3
85.02942	3.2
87.00874	0.7
89.02442	23.2
91.01922	0.4
92.26636	0.3
93.03452	0.3
95.01373	0.6
98.19969	0.4
99.00877	6.6
101.02438	13.1
107.01401	2.5
108.02168	1.4
109.02937	1.4
111.00909	0.3
113.02441	4.3
115.03957	0.3
119.01363	0.3
119.03500	3.1
121.02955	2.1
124.01689	0.4
125.02451	1.6
127.04008	1.4
131.03488	4.6
135.00871	1.1
143.03493	0.5
148.01674	1.5
149.04547	16.8
151.00356	10.2
161.02441	0.4
161.04527	2.0
163.00356	2.3
164.01099	0.9
165.01865	0.3
173.04527	0.3
178.99844	5.6
179.05583	1.5
183.04451	0.6
187.03926	0.3
190.99849	0.5
191.03751	0.4
191.05579	4.0
199.03900	0.8
201.05472	0.4
203.03587	0.4
209.11765	1.3
211.03949	1.0
215.03412	0.5
216.04099	0.3
221.06609	0.9
223.40079	0.3
226.02696	1.9
227.03452	3.1
227.12874	0.9
229.05069	0.9
233.06827	0.6
241.07130	2.2
243.02965	11.7
244.03510	0.8
245.04558	1.2
251.07819	1.7
254.02234	2.8
255.02951	24.4
256.03329	1.4
271.02454	56.4
272.02954	4.0
273.03934	1.4
278.05484	0.3
283.02371	1.1
293.08905	0.6
299.02026	1.5
300.02725	100.0
301.03458	40.8
302.03851	1.9
331.17639	2.4
343.04382	0.4
403.12427	0.5
433.86572	0.3
463.08777	79.7
463.21786	14.9
464.09015	5.7
464.22250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96662	0.7
57.03449	0.8
59.01381	5.7
69.37588	3.1
69.38013	2.5
71.01377	2.3
71.05021	3.4
78.95911	10.5
83.05027	0.9
96.96024	4.2
97.02938	1.2
101.02433	1.6
109.06586	6.0
110.98534	7.3
111.04459	0.8
113.64169	0.7
152.99631	1.4
161.04437	0.8
163.11299	2.9
167.01158	3.6
171.10300	1.1
179.93860	0.8
181.12276	1.7
185.02185	7.6
207.10263	18.0
208.84021	0.8
209.15378	1.2
214.35733	0.7
223.17096	3.1
224.05798	0.8
225.11327	9.6
231.21181	1.7
235.17023	23.3
236.17290	1.3
253.09296	2.3
270.01907	1.1
275.20154	27.4
285.03928	0.9
293.21228	100.0
294.21530	6.7
399.29193	0.9
461.07602	1.1
461.22687	17.6
461.29260	7.5
462.23230	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.9
61.39629	1.3
63.15963	1.2
63.78107	1.2
69.20190	13.6
71.01369	2.7
78.95907	14.1
85.03033	1.7
89.51424	1.3
91.74501	1.4
96.01447	1.3
96.96010	8.7
104.09484	1.6
109.06557	4.2
109.07292	1.3
110.98555	7.8
134.39253	1.3
134.54910	1.4
152.99637	9.5
162.83411	1.4
167.01152	2.6
171.10219	2.2
183.13821	7.3
185.02217	8.8
188.36725	1.5
195.14000	1.9
207.10268	13.3
223.13365	2.3
223.75827	1.5
225.11244	5.8
235.17038	18.0
253.09274	1.7
275.17331	2.6
275.20139	37.1
276.20416	2.0
293.21222	100.0
294.21527	4.5
337.16302	1.4
383.16525	1.5
443.27802	1.9
461.17761	6.0
461.22879	26.7
461.29105	20.7
462.23911	2.0
462.29578	1.8
478.98676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01381	90.6
61.98848	2.2
69.03465	2.1
70.44990	3.0
71.01382	15.4
72.70475	1.3
72.99348	2.1
73.02940	1.9
79.95750	1.9
81.03452	1.5
83.01388	1.6
84.95140	1.2
85.02951	13.0
85.48694	1.2
89.02453	16.7
91.04008	18.4
96.96010	18.3
97.02944	3.4
97.06566	1.5
98.19957	1.3
101.02443	4.4
105.60599	1.1
109.06589	2.8
111.00884	1.4
113.02452	3.4
113.88731	1.6
125.02433	4.5
131.03529	3.0
137.09691	2.3
149.04555	4.6
167.10753	16.0
171.10269	23.9
177.04140	1.4
183.13899	2.9
191.05644	5.2
202.59836	1.2
207.10245	4.7
211.13348	7.1
225.11362	4.2
229.14413	5.5
239.12735	1.4
253.09256	1.3
256.99863	1.4
270.01770	1.2
271.97534	1.1
291.19720	4.1
293.08783	3.1
309.20630	13.2
327.21756	100.0
327.66861	1.4
328.22070	4.7
401.25543	1.4
461.11429	12.7
461.19568	2.6
461.24564	2.2
461.29282	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	461.2911
Annotation	Verbacine
Peak:m/z	Relative Intensity
57.03440	0.5
58.95176	0.3
59.01107	0.5
59.01381	6.1
61.98827	1.1
63.84776	0.4
64.32345	0.3
69.30180	3.1
71.01385	3.6
72.99294	0.6
73.02932	1.2
75.00875	1.9
78.95905	6.0
83.05007	0.4
85.02959	1.8
87.00886	0.4
89.02474	0.5
93.66470	0.3
94.37867	0.3
95.01420	0.4
96.96005	3.6
96.96954	0.9
97.02939	1.1
99.00883	1.1
101.02432	0.6
108.45946	0.4
109.06592	3.1
113.02453	0.6
117.03471	8.8
118.03745	0.4
119.05019	3.9
135.08211	0.4
145.02962	34.8
146.03302	1.8
152.99600	12.2
153.00685	0.3
163.04012	4.0
163.11253	1.4
165.53143	0.4
181.12346	0.6
207.10287	8.0
208.10477	0.4
225.11340	4.7
253.09193	1.8
287.23779	0.4
293.21210	0.8
327.21851	0.9
345.05307	0.4
387.25397	0.6
388.21863	1.6
388.72260	0.4
389.30618	1.3
415.28262	0.7
417.30322	0.7
428.24588	0.4
433.29620	3.6
443.28226	2.4
455.35297	4.7
456.35596	1.2
461.23447	34.2
461.29166	100.0
461.73819	20.1
462.23749	2.1
462.29504	8.0
485.74512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
58.00592	0.4
59.01378	14.3
63.96147	0.3
69.03480	0.3
70.00408	0.4
70.00745	1.5
71.01386	6.5
71.05013	0.4
72.99310	0.6
73.02946	1.2
75.00858	0.5
79.95731	0.6
80.02686	1.0
80.96529	1.2
81.03467	2.7
83.01393	1.2
83.05016	2.8
84.02168	0.7
85.02947	2.7
87.00880	1.0
89.02448	5.2
93.03465	1.5
95.01395	0.8
95.05042	0.9
96.96009	0.6
97.02948	6.8
97.06580	0.5
98.20570	0.5
99.00893	1.3
99.04512	0.4
101.02448	5.9
106.04234	0.5
107.05031	0.8
109.02953	0.5
109.06590	36.2
110.03729	1.6
110.06906	0.8
111.04543	1.0
113.02464	3.0
119.03487	1.1
119.05003	0.4
121.06598	2.2
123.04486	0.4
125.02481	0.4
125.09686	0.7
135.08167	3.7
136.05295	1.3
142.02724	2.0
143.03488	0.5
145.10153	0.4
161.02408	0.4
161.04565	2.6
161.09694	1.6
163.11287	20.1
164.11610	0.9
165.09157	0.4
167.07173	0.4
173.04630	0.5
179.05617	0.9
179.10748	0.8
181.12340	5.8
185.08281	0.3
189.09193	1.6
191.05643	1.7
207.10248	100.0
208.10608	3.7
209.11778	0.8
225.11310	53.1
226.11659	2.5
235.08247	1.1
241.01369	0.7
243.12370	0.8
253.09274	21.7
254.09660	0.6
255.02943	0.5
270.01678	0.6
271.02393	0.7
281.09033	0.7
297.04065	0.4
299.01907	0.4
299.14948	1.4
317.05322	0.5
326.39783	0.4
443.19022	0.9
461.06830	1.7
461.14792	1.7
461.20221	41.8
461.64249	0.6
462.20596	2.5
466.45239	0.4
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
54.21705	0.3
55.01876	0.9
57.03454	0.5
58.00598	0.3
59.01379	14.5
63.35605	0.3
69.03450	0.5
70.85143	0.6
71.01385	5.5
73.02955	1.3
75.00851	0.4
79.95763	0.4
80.02678	1.0
80.96521	0.8
81.03457	2.7
81.06213	0.3
83.01408	0.9
83.05025	3.4
84.02161	0.6
85.02961	2.5
87.00900	1.2
89.02441	5.0
91.04014	0.4
93.03458	1.6
95.01389	0.6
95.05041	0.5
97.02949	6.7
99.00877	1.5
99.04518	0.4
101.02451	6.2
106.04244	0.5
107.05051	1.4
108.52633	0.3
109.02972	0.3
109.06594	37.9
110.03746	1.9
110.06928	0.8
111.04511	0.4
113.02444	2.3
119.03518	1.1
119.04971	0.3
119.78717	0.3
121.06608	2.2
121.10215	0.3
123.04493	0.5
125.02399	0.3
125.09739	0.3
131.03545	0.4
135.08176	3.6
136.05324	1.4
137.06030	0.3
142.02728	1.8
143.03543	0.5
145.10260	0.7
146.05609	0.3
148.97717	0.3
149.05989	0.3
161.04572	2.7
161.09734	2.2
163.11296	19.9
164.11650	0.5
173.04524	0.4
179.05580	0.5
179.10809	0.5
181.12349	5.6
182.12715	0.3
189.09181	2.5
191.05600	1.2
197.11848	0.4
200.37193	0.3
207.10265	100.0
208.10605	4.4
209.04622	0.3
209.11812	0.9
225.11317	54.7
226.11612	2.2
235.08199	0.9
241.01346	1.0
242.02173	0.4
243.12505	0.7
245.01025	0.6
253.09276	22.3
254.09596	0.7
270.01703	1.0
271.02399	0.7
281.13889	0.6
283.02469	0.7
298.01132	0.4
299.01932	0.6
299.15085	1.5
329.43863	0.3
443.19250	1.0
461.06931	1.3
461.20261	41.2
461.64337	0.4
462.20474	3.2
471.46536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2754
Annotation	Lucidenic acid N
Peak:m/z	Relative Intensity
53.64088	0.8
53.96869	0.8
54.98950	0.8
57.03436	3.2
59.01368	3.0
59.19798	0.8
61.98825	1.0
71.01382	1.3
73.02952	6.6
75.00880	2.0
79.52456	0.8
96.96040	1.0
98.19860	1.9
113.47980	0.9
222.99240	0.8
315.23254	1.0
319.22769	6.6
357.24353	26.9
357.28778	1.3
358.24753	1.9
371.25909	2.9
397.27463	55.4
398.27948	4.3
413.27063	1.6
415.24692	3.7
415.28619	4.2
431.27893	2.0
441.26239	2.7
459.27435	100.0
460.27875	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	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
61.22678	0.2
76.16748	0.2
78.89306	0.2
92.36069	0.2
97.08834	0.2
107.05033	29.3
108.05404	0.5
138.26570	0.2
147.08160	0.4
163.11292	100.0
164.11621	3.3
172.74887	0.2
181.31963	0.2
209.14368	0.2
209.22951	0.2
215.12306	0.2
238.07693	0.2
238.10059	0.5
280.14670	0.5
283.17038	29.0
284.17438	1.8
295.17044	15.7
296.17429	0.9
459.29047	90.9
460.29401	9.0
460.35873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98661	2.9
57.03451	14.3
58.73170	2.0
59.01379	65.8
69.52421	9.0
69.52844	6.7
70.73204	2.4
71.01380	45.0
73.02943	8.5
74.03913	2.4
83.01381	5.1
85.02930	16.3
85.64330	2.0
87.00861	6.0
89.02445	44.0
93.03450	5.7
95.01358	4.0
96.96008	15.4
97.02935	2.9
99.00880	8.6
101.02441	24.4
108.02203	3.3
109.02997	3.4
113.02458	18.8
119.03505	10.5
119.05008	7.0
123.04488	2.6
123.08154	7.3
131.03525	2.9
135.01233	16.5
135.04472	8.2
137.02464	4.1
138.95264	2.2
145.02951	7.1
149.04564	4.5
151.07628	18.1
152.01160	4.3
159.03040	2.4
161.04556	22.8
161.09700	5.6
163.04012	5.6
163.07646	12.5
165.09167	7.8
173.09616	2.5
177.09140	4.3
179.05603	13.0
179.10779	12.0
188.08408	8.0
191.05592	9.7
191.10757	2.3
191.36363	2.6
203.10771	63.1
204.11012	3.9
205.05049	3.7
221.11821	100.0
222.12193	2.7
235.06200	4.1
265.07147	5.8
325.09152	6.6
383.17004	9.0
389.47394	2.6
401.17984	7.8
461.11148	6.3
461.16476	18.3
462.16376	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03445	0.9
59.01382	100.0
60.01716	0.7
65.19123	0.2
69.03467	0.3
69.34627	0.7
69.35048	1.2
71.01388	8.5
72.99316	0.4
73.02948	2.6
75.00873	0.2
82.56393	0.2
83.01414	1.0
85.02955	4.3
87.00889	0.5
87.04517	1.1
89.02447	2.2
89.90880	0.2
93.03468	0.9
94.45185	0.2
95.01402	1.0
97.02962	0.2
99.00883	1.1
101.02456	3.4
104.07258	0.3
108.20611	0.2
111.00886	0.3
113.02451	6.9
119.03542	0.6
125.02495	0.6
131.03526	0.3
133.03061	0.3
135.04538	0.3
143.03496	0.6
159.02980	0.4
161.04552	2.9
173.04565	0.6
175.14581	0.2
179.05630	0.2
183.46735	0.2
191.03607	0.5
191.05663	2.3
192.05904	0.5
242.93146	0.2
255.19699	0.4
279.41138	0.2
399.23883	8.9
400.24371	0.6
417.24945	3.6
418.25626	0.3
449.64706	0.5
459.26688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96948	0.7
59.01383	13.4
70.04492	2.5
71.01385	7.9
72.99316	0.9
73.02958	1.2
75.00881	1.5
83.01408	1.2
85.02940	4.1
87.00874	1.0
89.02459	6.9
89.03956	1.0
90.14168	0.7
93.03493	0.9
95.01401	0.7
96.96009	2.5
99.00888	0.8
101.02448	5.6
113.02466	2.3
117.03487	2.2
119.03477	1.5
121.05083	4.4
123.04583	1.1
127.05215	0.7
127.38247	0.6
131.15732	0.6
132.02177	15.7
133.02960	1.9
134.03748	33.9
135.04524	0.9
137.02444	1.3
149.02470	0.9
149.06070	3.6
160.01663	82.7
161.02254	2.4
161.04541	1.4
165.05582	5.6
175.04005	95.7
176.04422	3.1
178.02711	1.2
191.05634	11.3
191.07185	1.6
192.05948	1.8
193.05049	42.5
194.05353	1.1
235.06120	4.6
236.06056	0.8
283.10248	0.9
295.08231	0.8
315.25540	0.7
336.50912	0.7
337.09232	0.9
424.99020	0.8
459.15051	100.0
460.15488	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	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01380	100.0
61.86367	1.0
63.35571	1.1
65.90823	1.1
66.68067	1.2
69.03468	1.4
69.92706	1.4
71.01389	9.6
71.55782	1.2
72.99274	1.1
73.02923	2.2
74.22971	1.3
77.20390	1.2
83.01368	2.1
85.02946	7.1
87.00880	2.5
89.02428	2.4
93.03466	7.5
96.96024	2.9
99.04478	1.2
101.02425	6.5
109.02937	2.0
111.04471	1.5
113.02439	3.6
133.02943	3.1
135.04576	7.8
137.02419	2.3
159.68037	1.1
161.02420	8.1
161.04512	2.8
162.02840	1.6
166.60962	1.3
173.04532	5.2
179.03487	2.6
188.82700	1.3
191.05617	26.3
192.05946	4.9
215.06976	1.3
256.54922	1.5
263.08594	1.3
323.07678	1.6
366.76291	1.3
373.22400	7.6
377.58594	1.2
449.64462	1.9
458.65527	2.8
459.18130	2.4
460.13208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98835	4.7
70.88643	0.3
71.01389	0.6
73.02950	0.2
75.00885	0.2
77.03950	0.2
80.96501	0.2
81.03461	0.5
83.05009	0.2
85.02969	0.3
88.98829	0.2
89.02451	0.7
89.03976	2.0
93.03466	2.5
94.03831	0.2
95.05051	0.3
96.96019	0.5
104.02673	0.5
105.03467	3.2
109.02956	0.4
109.33046	0.2
113.02431	0.2
123.02742	0.2
125.56715	0.2
132.03050	0.4
133.02968	8.2
134.03325	0.3
135.04544	0.4
137.02452	2.9
148.01683	0.4
149.02437	0.7
153.01976	0.2
161.02475	0.2
164.79781	0.2
173.04596	0.4
176.01193	1.2
177.01945	100.0
178.02284	3.2
185.03558	0.2
191.05621	1.5
192.05898	0.3
209.11841	1.5
227.12900	2.2
339.07257	1.6
391.19830	0.3
449.64703	0.3
459.09354	12.9
459.18665	1.1
460.09741	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
69.17432	0.6
71.01381	2.3
71.42807	0.7
71.43168	0.7
72.99294	0.7
73.02951	40.1
74.03240	0.7
84.29960	0.6
85.02969	0.6
89.02444	1.7
96.96032	1.0
97.37936	0.8
99.00889	5.9
101.02474	0.7
116.97245	2.0
117.01948	100.0
118.05128	1.3
147.02997	0.8
152.36090	0.6
191.05623	1.5
341.10788	1.6
459.09851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03438	0.5
59.01382	9.7
61.71859	0.4
61.89370	0.3
61.98837	0.4
69.97653	1.9
71.01385	11.1
72.69548	0.4
72.99294	0.5
73.02953	3.5
73.88080	0.4
78.95906	12.5
79.95738	3.0
83.01396	1.7
85.02949	4.9
88.04025	0.6
89.02448	6.5
95.01394	0.5
96.96016	100.0
96.96939	22.3
98.02465	0.8
98.20605	0.4
99.00882	1.1
101.02437	8.7
108.02176	1.2
109.02943	1.1
113.02458	4.4
119.03520	1.1
119.05030	10.8
125.02499	0.7
131.03534	0.6
135.04550	0.9
143.03557	0.6
149.04619	0.5
152.01106	2.0
153.01921	1.3
159.03014	0.9
161.04538	4.4
163.04008	7.3
179.05608	0.6
257.06857	0.5
265.12936	13.9
295.08090	0.5
375.06921	0.5
397.17154	15.3
398.17657	0.6
457.17313	4.0
458.12939	2.7
465.56650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01427	0.1
59.06865	0.1
69.41818	0.1
71.54550	0.2
74.61105	0.1
83.95625	0.1
99.90424	0.1
99.92583	5.5
100.92688	0.2
100.93359	3.5
101.93388	0.2
109.41581	0.1
113.92637	0.1
115.92076	100.0
116.92085	2.8
116.92864	6.2
117.92564	0.3
125.83100	0.1
130.94374	0.2
132.92354	1.2
142.94473	0.3
148.36938	0.1
155.95181	0.2
163.79599	0.1
172.95461	6.6
173.95558	0.2
178.98216	0.1
199.61006	0.1
283.26465	0.8
383.19254	0.6
384.19382	0.2
399.18353	0.3
409.20541	1.0
410.20944	0.2
426.81512	0.2
439.21378	0.4
457.22589	6.6
458.22787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2963
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
57.03448	1.9
59.01387	5.0
71.55719	0.9
79.06308	0.7
81.03484	0.8
87.00867	1.7
102.79700	0.7
140.68633	0.7
143.79575	0.7
173.78714	0.8
191.05560	1.3
191.62102	0.7
217.00165	1.0
235.52556	0.7
395.25473	3.8
395.30072	1.7
397.27277	5.4
398.27747	0.8
413.30621	6.4
427.28503	1.8
439.28564	2.4
457.29398	100.0
458.23782	0.8
458.29794	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	457.1719
Annotation	sasanquin
Peak:m/z	Relative Intensity
51.43288	0.5
55.01880	1.7
57.03440	0.7
58.00588	2.3
59.01384	48.9
67.30193	0.5
69.37929	4.0
71.01387	26.1
72.99313	2.0
73.02937	0.9
79.21550	0.6
83.01396	1.9
85.02960	4.6
87.00904	0.8
88.98782	0.5
89.02451	26.3
93.03451	0.6
95.01392	2.2
96.95998	1.8
98.19914	1.0
99.04528	0.9
101.02455	16.9
108.02206	0.6
109.02943	1.0
111.04533	1.6
113.02466	9.7
115.00367	0.5
119.03505	11.3
119.05022	9.1
121.06592	0.9
123.08190	3.5
129.07153	1.1
131.03545	1.2
135.04555	2.4
143.03545	0.9
149.04581	0.9
152.01208	0.7
161.04588	1.8
163.04031	6.0
171.11792	3.5
173.09676	0.7
179.03554	2.7
179.05605	2.1
189.12834	7.4
191.05682	1.3
215.10809	1.8
233.11877	1.6
277.10815	6.7
295.11957	1.0
341.08893	1.7
346.86774	0.5
377.97726	0.6
394.14963	0.6
413.18359	1.1
457.17236	100.0
458.17584	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	457.1748
Annotation	Neotrilobine
Peak:m/z	Relative Intensity
53.83556	0.3
59.01380	1.3
67.51440	0.3
71.01493	0.7
71.01896	0.3
73.02946	0.6
79.95738	3.3
80.96528	1.3
83.01403	0.3
85.02949	0.3
87.04497	0.6
95.95236	1.5
96.96011	77.1
101.02449	1.2
122.97598	0.5
131.17175	0.3
138.97038	0.5
150.97078	1.0
152.98640	1.0
173.04604	0.3
174.99179	0.3
180.98088	2.7
191.05641	0.8
208.18611	0.3
225.00919	0.6
241.00200	4.9
264.05527	0.3
369.12216	39.1
370.12540	2.0
409.96399	0.4
444.95874	0.4
457.17459	100.0
458.17746	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03449	0.7
58.00595	3.4
59.01376	84.5
60.01705	0.7
69.03453	7.7
70.72141	1.1
71.01379	76.6
71.05033	0.4
71.46606	0.4
72.01734	0.8
72.99309	2.5
73.02950	11.8
73.36564	0.5
75.00869	3.4
79.01885	1.5
81.03450	4.6
83.01380	4.5
83.05019	0.7
85.02952	7.9
87.00858	2.2
89.02441	100.0
90.02814	0.6
93.03458	0.7
95.01373	2.4
97.02948	11.7
99.00876	15.3
99.04523	2.3
101.02438	15.4
105.42500	0.5
107.01398	1.2
109.02977	0.7
111.00883	1.7
111.04491	0.5
113.02451	8.0
115.04005	7.3
119.03479	2.6
123.00926	0.5
125.02444	50.1
126.02788	0.7
127.04015	1.9
131.03500	11.7
143.03494	3.7
147.04558	1.3
148.05298	61.8
149.04561	14.4
149.05661	1.5
155.03554	0.7
161.04521	3.3
163.07631	16.4
173.04512	1.9
191.05588	13.3
215.05568	1.0
216.47696	0.5
233.06636	38.1
234.07011	1.2
239.12729	0.5
293.08749	33.6
294.09164	1.8
429.79800	0.5
465.27307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21758	0.3
54.13528	0.3
57.03434	0.3
59.01384	3.5
69.61074	1.7
70.85418	0.4
71.01385	3.2
73.02939	0.5
74.18436	0.3
78.95908	11.6
79.15346	0.4
79.95734	2.7
83.01379	0.7
85.02950	1.5
89.02452	2.8
93.03432	0.3
94.80817	0.3
96.96018	100.0
96.96945	23.0
98.02491	1.1
101.02452	2.1
113.02459	1.3
119.03516	0.8
119.05039	5.4
148.29095	0.4
161.04565	1.0
163.03989	4.2
189.12964	0.5
265.12900	2.4
277.10553	0.4
297.58191	0.4
397.17026	3.6
457.18002	4.4
458.12479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	33.9
60.54708	3.9
61.98830	11.2
70.29090	8.1
70.29441	6.5
71.01389	21.9
73.02968	5.2
78.95897	12.3
83.01376	4.4
85.02936	8.3
89.02457	27.6
96.96017	100.0
96.96944	28.2
98.20584	4.4
99.72652	3.7
101.02444	29.3
113.02430	15.9
119.03517	11.2
119.05038	55.2
143.03503	5.7
161.04489	7.4
163.04028	42.3
163.05283	6.1
172.72836	4.3
179.05574	17.9
218.06314	4.2
259.08310	5.8
265.12845	10.4
397.17075	32.1
421.13525	18.0
457.11249	65.9
457.17178	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	455.3532
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.28241	0.1
65.95245	0.1
68.70971	0.2
70.77692	0.5
72.12897	0.1
76.61517	0.2
121.80833	0.2
128.93440	0.2
129.74336	0.2
172.72415	0.2
173.86485	0.2
203.45827	0.2
407.33221	0.3
436.21567	0.2
455.35300	100.0
456.35681	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	456.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32740	0.3
59.01373	0.3
61.98832	100.0
71.55287	0.4
79.88174	0.3
85.02960	0.4
93.03487	0.4
96.96033	0.5
159.58733	0.3
160.01720	0.4
161.02454	0.3
173.04626	0.3
176.72766	0.2
191.05650	2.0
270.69315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
55.86249	0.9
57.03440	2.4
59.01381	27.3
61.98831	2.9
65.15441	0.9
69.03445	1.1
69.22790	9.3
71.01009	1.7
71.01385	27.0
72.99293	1.2
73.02955	16.8
75.00867	1.5
83.01385	5.9
85.02953	17.9
87.00860	2.9
89.02444	6.0
93.03446	4.6
95.01356	2.8
96.96004	3.0
97.02955	2.2
98.19913	1.7
99.00902	4.8
99.04519	1.2
101.02446	36.3
111.00896	1.1
113.02470	11.1
120.99655	4.9
121.99932	0.9
122.99251	6.2
123.00021	1.5
125.02421	1.4
129.01886	1.5
132.46667	1.2
137.02426	1.4
149.04547	1.4
159.02945	2.3
160.04001	1.4
161.02510	6.0
161.04555	11.0
173.04561	3.4
179.03502	1.7
191.05585	11.8
192.05957	1.2
219.46107	1.1
253.83804	1.0
263.15002	39.5
264.15421	1.8
293.07968	1.1
353.08792	2.6
354.37598	1.0
395.19196	100.0
396.19473	5.9
450.50787	1.1
455.10022	1.2
455.16382	1.4
455.34933	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	2.8
58.79959	1.5
59.01382	66.8
69.03461	6.2
71.01382	67.8
71.54440	1.8
72.97540	2.3
72.99320	2.4
73.02959	8.8
75.00876	17.0
78.95895	3.4
79.95735	21.6
81.03468	3.3
83.01396	6.1
85.02940	14.3
87.00900	3.2
89.02447	100.0
93.03468	4.6
95.95234	13.6
96.96014	59.5
96.96970	4.3
97.02946	6.3
98.95619	3.1
99.00894	2.6
100.92686	2.1
101.02447	25.2
101.06084	72.3
108.02229	2.2
109.02997	3.9
110.97581	6.1
112.20874	1.7
113.02464	8.4
118.98093	2.9
119.03510	4.0
121.06676	1.9
125.02460	29.4
131.03502	24.7
133.02998	3.4
135.04570	2.1
137.02454	5.5
143.03450	3.8
149.04564	49.9
149.99930	2.3
151.07637	2.5
159.04344	1.9
161.02475	9.3
163.04106	2.0
169.30009	1.9
179.03601	2.6
191.05620	36.6
191.90318	1.7
192.05948	2.9
229.01382	2.2
233.06694	5.9
263.27484	1.8
293.08792	90.3
294.09271	4.5
314.31143	1.8
374.09406	2.8
375.00449	4.3
395.15289	8.8
437.08768	2.3
437.49451	2.1
455.10141	59.9
455.35400	3.2
456.10172	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	455.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.8
61.98819	0.6
64.50104	0.5
69.24512	4.7
71.01397	2.8
71.04993	0.6
73.02943	1.8
74.28799	0.6
78.91856	0.6
78.95902	29.2
79.91341	0.5
80.02673	2.1
81.03451	2.6
83.01374	1.0
83.05025	9.1
84.02174	2.9
85.02940	1.9
87.00877	1.2
89.02435	1.1
91.02281	0.5
93.03441	1.8
95.05035	1.5
96.95980	1.1
96.96950	1.9
98.19891	0.8
101.02450	2.5
110.12488	0.5
113.02426	1.3
125.06066	1.1
132.03117	0.6
135.08217	0.9
141.69972	0.6
150.98004	0.9
152.99577	40.6
158.73984	0.5
159.03030	0.6
160.01683	0.8
161.02444	0.6
161.04523	0.6
163.11272	6.8
165.12863	5.3
171.00713	3.9
173.04535	1.2
175.03995	1.3
181.12299	1.1
191.05600	7.3
191.10760	1.5
209.11818	100.0
210.12172	5.3
213.54355	0.5
221.90720	0.5
227.03229	3.4
227.12872	11.5
228.13283	0.5
245.04268	1.6
263.14966	2.6
363.12122	1.9
372.07938	0.5
389.53577	0.6
395.19174	5.7
455.16855	93.1
456.17084	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	454.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92942	0.2
59.01388	0.6
61.76091	0.2
61.98833	100.0
68.88786	0.2
69.77049	0.8
71.01376	0.3
77.48518	0.2
81.75893	0.2
84.30932	0.2
85.02949	0.5
87.00857	0.4
93.03460	0.5
96.96045	0.8
98.03213	0.2
101.02436	0.2
108.02184	0.3
109.02975	0.4
122.24579	0.2
135.04506	0.5
140.67709	0.2
143.55452	0.2
148.59480	0.2
154.63803	0.2
161.02469	0.6
173.04596	0.4
191.05589	2.6
412.13617	0.3
454.15292	0.3
455.15985	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77406	0.4
59.01376	1.9
70.73021	0.6
71.01376	2.1
74.99100	1.0
75.00877	0.6
76.65612	0.4
78.95914	0.7
79.95737	38.6
80.96530	0.9
83.01388	0.6
85.02953	1.3
87.00888	0.6
89.02438	1.9
93.03454	1.8
95.95237	21.3
96.96011	100.0
101.02456	1.4
101.06093	1.3
108.02156	2.1
109.02982	0.6
109.96786	0.6
110.97584	8.8
113.02438	0.6
118.98112	3.3
119.05039	1.4
121.02920	0.4
123.04539	1.1
125.02397	0.4
129.01973	0.7
131.03540	0.5
133.02960	1.0
135.04532	0.4
136.01648	1.1
137.02449	6.5
138.05634	0.7
141.95784	4.1
142.72701	0.4
149.04568	0.6
149.99922	6.0
151.04039	1.3
161.02425	3.2
161.04588	0.5
163.04002	1.5
173.04543	1.1
177.05618	0.5
179.03423	0.7
181.98941	1.4
190.09612	0.4
191.05586	5.6
191.07117	0.6
225.92703	0.3
229.01459	0.4
231.10239	0.6
259.02670	0.5
267.06702	0.4
279.06769	0.4
293.08533	0.5
293.10526	0.3
297.11206	0.9
327.12399	1.4
331.05060	2.7
403.21582	0.4
437.09021	3.2
440.07513	1.2
455.10165	87.5
456.10437	7.2
479.54355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69347	21.9
78.95898	46.4
81.99348	8.3
152.41470	9.2
152.99536	9.0
253.21825	100.0
255.23363	41.5
256.23648	74.6
266.62866	8.0
274.70474	8.2
316.01419	8.4
337.05746	8.9
369.58798	8.7
396.06274	8.8
423.38101	8.6
453.28333	64.1
453.34521	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98830	100.0
70.54462	0.9
71.01385	0.6
85.02965	0.3
89.02460	0.9
96.96037	0.6
98.95567	0.7
112.15257	0.3
161.93536	0.3
178.97705	0.3
185.08171	0.4
216.69647	0.3
218.05881	0.3
286.73099	0.3
391.12430	4.4
391.17249	0.3
392.13068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93258	1.7
59.01385	81.6
61.98817	2.7
64.41647	1.6
69.33695	16.1
71.01006	2.8
71.01386	52.5
73.02957	8.6
81.62774	2.1
83.01405	2.1
85.02957	8.3
87.00875	6.4
89.02453	100.0
96.96024	3.7
99.00885	4.8
101.02454	41.4
113.02462	11.6
119.03514	9.9
125.02455	2.7
131.03528	39.6
133.78145	1.6
135.04482	1.7
149.04570	83.2
160.19550	1.9
164.77855	1.8
173.04497	2.1
179.05699	2.5
191.05632	21.9
203.82414	1.6
251.07626	4.8
251.79500	1.7
261.13519	2.8
282.83566	1.8
287.09729	1.8
292.03040	2.7
294.13742	1.9
358.84424	2.1
373.05594	3.8
381.54211	1.8
393.17700	62.4
394.17978	4.5
415.16196	12.1
416.16354	1.8
453.13519	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1802
Annotation	Trp-Lys-OH
Peak:m/z	Relative Intensity
51.40842	0.3
59.01374	0.4
60.00429	0.2
63.75491	0.2
71.01392	0.9
71.01782	0.4
73.02928	0.3
73.70048	0.2
76.68025	0.3
78.52984	0.3
79.95726	3.0
80.96529	0.9
95.95245	0.9
96.96018	61.0
101.02454	0.7
122.97581	0.4
129.27504	0.2
138.97112	0.7
147.88014	0.3
150.97052	0.4
152.98634	0.8
180.98206	1.9
241.00261	3.7
304.17023	0.3
321.64355	0.3
453.18018	100.0
454.18350	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	453.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
56.42849	1.1
57.03429	2.1
57.17908	1.1
59.01380	16.0
61.98829	12.5
69.95956	3.0
71.01004	1.8
71.01381	26.4
73.02944	16.9
75.00886	1.3
79.95749	1.2
81.03455	1.2
81.86980	1.0
83.01384	5.1
83.25059	1.1
85.02950	16.7
87.00877	2.7
89.02441	6.9
93.03421	2.6
95.01380	1.5
95.99141	1.1
96.96014	13.7
97.02952	1.5
97.41592	1.0
99.00874	6.4
101.02441	35.2
113.02451	13.2
119.05000	1.2
120.99625	4.4
125.02464	1.8
131.03426	1.7
143.03474	2.1
151.56349	1.1
159.02966	2.1
161.04552	11.4
161.09261	1.2
173.04604	1.3
176.03680	1.2
181.06177	1.1
191.05588	10.5
261.13437	29.8
306.60007	1.3
390.18323	2.8
393.17645	100.0
394.18103	6.8
453.13953	14.4
453.19443	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2779
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.88325	0.3
55.21566	0.2
55.38713	0.2
59.01358	0.3
61.98830	0.3
71.56123	0.4
78.95903	18.2
82.41563	0.2
85.10159	0.2
96.96936	0.3
99.23816	0.2
106.42876	0.2
115.91523	0.2
122.00153	0.9
134.98532	0.2
140.01192	5.1
152.99554	1.6
153.21336	0.2
184.76894	0.3
196.03789	8.9
201.58189	0.2
214.04832	2.2
255.23280	100.0
256.23624	5.0
452.27802	31.8
453.28110	2.3
453.33386	0.3
463.34827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62652	0.3
57.07314	0.3
58.07021	0.3
59.01385	3.2
59.67416	0.3
61.98831	100.0
64.49749	0.3
69.35387	2.9
71.01395	0.5
73.02982	0.4
79.95754	0.8
96.96014	23.5
98.19827	0.7
98.87817	0.3
101.02464	0.5
101.79903	0.4
108.02163	0.5
109.02976	0.6
122.83163	0.3
135.04605	0.4
152.01196	0.6
153.01877	0.8
154.02318	0.4
174.40102	0.4
179.03532	0.4
185.03917	0.7
191.05701	1.5
328.40631	0.4
360.98840	0.4
392.22873	0.6
432.53284	0.4
452.09357	1.5
452.16165	0.5
453.18018	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	452.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83342	0.3
59.01380	2.9
60.01719	0.5
61.01807	0.4
61.98830	100.0
64.41320	0.3
67.01909	0.4
69.27913	0.5
69.28316	2.0
71.01376	1.7
73.02953	0.5
76.50263	0.2
78.81314	0.2
85.02972	0.8
87.00867	0.4
89.02462	0.9
93.03452	1.0
94.03820	0.3
95.09673	0.2
96.96022	0.8
98.20705	0.5
101.02441	1.7
107.07430	0.2
113.02439	0.3
117.81989	0.3
118.98077	0.3
137.02460	0.4
149.04561	0.4
161.04555	0.3
167.51022	0.3
168.00571	0.3
173.04564	0.6
174.04951	0.3
187.07758	0.3
191.05621	2.4
192.05939	1.3
193.06055	1.3
194.06377	0.7
234.76590	0.3
235.07977	0.3
305.82401	0.3
321.19189	0.8
392.22842	0.9
393.17804	0.4
452.08917	1.8
453.23404	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.283
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96394	0.5
66.04308	0.3
70.04379	1.3
73.02956	0.3
78.95906	13.4
79.01349	0.3
93.68494	0.4
94.99065	0.3
95.26999	0.3
96.96026	0.4
98.19958	0.4
104.97498	0.9
110.98537	10.1
120.27133	0.3
137.00107	0.4
152.99605	0.4
167.01152	11.2
178.26370	0.3
185.02205	2.8
208.58542	0.3
246.99257	0.3
283.26425	100.0
284.26776	6.0
339.19769	0.3
366.54013	0.3
451.28308	27.6
452.28616	2.2
468.36090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56046	1.1
71.54467	1.0
78.95904	12.0
83.35786	1.1
93.03451	1.1
110.98536	10.7
151.49901	1.2
167.01144	11.4
174.85751	1.1
185.02153	2.3
249.45201	1.1
283.26413	100.0
284.26910	5.5
354.63556	1.0
413.47113	1.0
451.28351	28.8
451.34106	1.3
452.28430	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	9.2
68.42654	4.9
68.55912	5.5
69.41495	41.8
85.49393	4.4
87.33660	4.9
87.79021	5.6
93.91889	5.0
107.61318	4.8
190.19731	5.2
199.09846	5.3
207.10179	6.2
298.27502	5.4
305.81143	5.5
451.24518	100.0
452.24875	9.6
466.87421	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	451.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12523	0.6
54.69860	0.7
55.01881	1.4
56.02919	0.6
57.03448	4.2
57.13096	0.7
58.00590	2.4
59.01380	54.6
60.01708	1.3
61.01792	0.8
61.98835	11.9
65.00350	0.7
67.01897	0.8
69.03467	2.3
69.37228	5.5
71.01384	45.3
72.01750	0.9
72.99314	2.6
73.02945	17.0
75.00860	1.1
79.08242	0.6
80.14626	0.6
81.03454	0.7
83.01387	4.2
83.05041	0.7
85.02949	21.6
86.03326	0.6
87.00877	4.3
87.04533	1.7
88.55980	0.6
89.02441	32.5
93.03461	7.6
94.03796	1.0
95.01380	3.8
95.37871	0.6
96.96015	9.3
97.02959	1.8
99.00874	2.5
99.04526	3.1
101.02449	28.2
102.02760	0.6
103.04004	2.1
108.02179	1.7
109.02967	3.3
111.00885	1.3
111.04521	1.3
113.02449	16.9
114.02813	1.0
118.40212	0.7
119.03511	12.0
119.04881	0.7
123.04516	5.6
124.04828	0.9
125.02456	3.2
127.04005	1.2
129.01915	0.7
131.03523	1.7
133.02922	0.7
135.04549	4.5
137.02492	1.1
143.03487	3.4
147.11798	1.6
149.04564	3.1
151.00409	1.8
152.01221	0.9
153.01956	2.4
159.03026	1.5
159.04460	0.9
161.02461	1.1
161.04546	10.5
167.03487	6.3
173.04530	2.9
174.04875	1.3
176.46054	0.6
179.03488	4.8
179.05586	4.4
191.05614	42.4
192.05957	13.5
193.06163	5.4
258.08786	0.8
259.08667	1.0
261.38522	0.7
264.04471	0.9
265.04871	1.1
266.05685	1.0
267.06677	0.7
277.09738	0.7
289.20206	17.4
289.23306	1.1
292.03494	0.7
293.04443	1.6
293.56845	1.2
294.05258	2.4
308.06769	1.0
309.07574	1.9
310.07864	0.9
319.17715	1.1
391.22861	2.0
395.07657	0.8
407.10043	1.0
428.62317	1.4
429.13162	0.9
450.62140	2.3
451.08163	5.1
451.25552	100.0
452.25851	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
56.30036	1.7
59.01381	47.8
61.98832	100.0
62.98532	2.3
67.94522	2.2
69.40583	11.1
69.41004	3.0
71.01385	29.6
72.99316	3.3
73.02958	9.6
83.01414	2.1
85.02946	9.7
87.00900	1.8
89.02448	41.9
89.57058	1.5
93.03460	5.6
94.03821	1.9
97.29351	1.9
99.00893	4.8
101.02451	21.9
113.02473	10.6
113.03146	1.8
119.03504	12.1
123.52534	1.6
131.03459	4.7
143.03537	2.9
149.04561	19.9
161.04581	5.5
166.89571	1.9
169.90962	2.1
173.04579	2.9
179.05653	4.4
191.05632	19.5
192.05957	9.2
193.06097	10.0
200.22913	1.6
207.08597	1.6
251.07629	2.3
289.20230	6.3
301.59521	1.7
365.18369	2.5
378.53354	1.6
391.23474	1.8
407.19220	4.6
415.16074	23.6
451.13870	30.1
451.25558	36.8
452.14157	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	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
58.26496	0.3
59.01382	12.2
60.01714	1.2
61.98833	100.0
68.99847	0.4
69.03468	0.4
69.84607	1.7
71.01384	1.3
72.51720	0.3
79.71925	0.3
85.02962	0.9
87.00894	0.5
89.02445	1.9
93.03480	0.7
96.96009	0.9
101.02449	1.7
102.02811	0.5
111.00906	0.3
113.02480	0.4
119.03480	0.6
125.02463	0.7
135.04565	0.5
159.45079	0.4
161.04584	0.9
168.15091	0.3
173.04543	0.6
179.05685	0.3
191.05637	4.4
192.06041	0.7
227.09329	0.5
228.09688	0.5
229.09251	0.3
250.14897	0.3
269.04559	0.4
270.04822	0.3
276.09753	0.3
348.48438	0.4
390.22076	0.8
455.53693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
57.03455	4.9
59.01381	82.9
60.01710	4.5
60.99319	1.4
61.01804	2.5
61.98832	57.1
64.17444	0.9
67.01893	1.8
69.03458	1.3
69.40051	6.9
71.01385	38.9
72.01732	0.9
72.99313	2.4
73.02946	11.5
79.95736	2.1
81.03447	1.8
83.01403	5.4
85.02952	19.2
86.03297	1.7
87.00877	5.7
88.98800	0.9
89.02444	24.5
90.02834	1.0
93.03462	10.0
94.03805	1.4
95.01376	3.3
96.96015	65.0
97.02943	1.7
98.34817	1.2
99.00891	4.7
99.04521	5.0
101.01787	1.4
101.02449	26.1
103.02930	1.1
107.01402	1.4
108.02179	34.1
109.02960	38.5
111.00873	2.3
111.04508	1.4
113.02449	13.0
119.03492	7.4
119.04965	1.1
121.02905	1.1
123.00871	2.1
123.04529	4.4
124.98233	1.0
125.02473	4.3
131.03477	2.3
135.00867	1.7
135.04527	10.5
137.02460	1.7
143.03491	1.4
149.04561	2.8
151.00418	2.4
151.04082	2.2
152.01158	48.6
153.01947	60.8
154.02319	1.4
158.03848	1.0
159.02992	1.2
161.02417	2.8
161.04556	14.2
167.03493	4.6
171.02969	1.3
172.86508	0.8
173.04561	3.9
174.04941	2.1
179.03493	11.5
179.05629	4.0
185.03862	2.1
187.07663	1.9
191.05609	38.1
192.05937	11.9
193.06062	10.1
195.02983	2.3
205.08655	1.2
225.04158	1.5
232.10495	0.9
236.53227	0.9
257.08102	1.6
258.08527	1.1
259.08789	1.2
264.04178	1.3
271.05719	1.2
271.08282	1.6
273.11594	1.9
289.06976	1.6
289.20126	6.5
289.92545	0.8
293.04504	0.9
294.05112	0.9
297.06204	9.3
298.06519	1.0
307.08377	1.4
315.07217	9.4
319.17584	6.8
389.22067	1.1
390.22159	2.7
391.23199	11.5
407.09888	13.9
407.18491	1.3
451.08798	100.0
451.16037	16.5
451.26215	30.9
452.09131	7.9
452.25977	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
59.01377	4.9
60.01720	0.4
61.01825	0.4
61.98829	100.0
65.80753	0.3
69.29072	2.8
71.01397	0.9
73.02958	0.3
81.03469	0.3
83.00298	0.3
83.01398	0.8
85.02944	0.5
89.02435	0.8
93.03475	0.6
99.04507	0.5
101.02467	1.5
107.01367	0.5
109.02930	0.4
113.02412	0.5
116.10490	0.3
119.03510	0.5
121.02962	0.5
123.04564	0.7
125.02452	8.1
126.02777	3.1
135.04570	1.1
149.02435	0.5
150.02785	0.5
151.00356	2.5
152.00873	1.3
153.01938	0.6
154.02261	0.4
161.04607	0.5
173.04556	0.6
173.05937	0.5
178.99870	1.0
179.03549	1.1
180.00208	0.7
191.05640	3.8
192.06023	0.4
215.07155	0.6
226.06001	0.5
244.06982	0.4
259.06064	3.1
260.06442	6.8
261.06815	0.4
269.04535	2.9
270.04910	6.2
287.05566	1.7
288.05981	4.1
288.12656	0.5
387.16595	3.4
450.11203	9.9
451.11240	0.8
451.17181	0.6
454.96497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01385	13.6
61.98832	100.0
69.72801	2.9
71.01394	3.2
73.90318	0.5
79.63709	0.6
85.02975	1.7
89.02448	3.0
93.03487	0.8
96.95998	1.0
98.20647	0.8
99.04527	1.7
101.02454	3.8
113.02452	1.2
115.31302	0.5
119.03529	1.2
121.02985	0.6
124.04801	0.6
125.02470	0.9
135.04556	2.3
142.87038	0.6
147.89594	0.5
149.32208	0.5
161.02483	0.6
161.04561	2.0
163.11316	1.6
173.04608	0.7
179.03519	2.0
191.05611	4.8
192.05940	1.3
207.10349	2.4
217.06267	0.6
243.11368	0.8
248.06187	1.9
384.27493	0.6
387.16608	40.6
388.17056	3.2
409.24399	0.6
451.17172	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	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40295	0.2
57.03474	0.3
59.01384	5.7
60.01719	0.5
60.14207	0.2
61.98835	100.0
67.01894	0.7
68.04061	0.2
69.64639	1.1
71.01397	1.4
73.02936	0.2
85.02961	1.8
86.03296	0.4
87.00885	1.2
89.02448	1.1
93.03461	3.9
94.03800	1.5
96.60049	0.2
96.96037	0.3
99.04559	0.5
101.02467	1.0
111.04527	0.7
113.02474	0.5
119.03522	0.3
123.04536	0.2
127.04031	0.5
135.04486	0.2
143.60117	0.2
155.03476	0.3
156.03734	0.2
161.02470	0.5
161.04605	0.6
173.04596	1.7
173.05977	0.3
174.04927	0.6
175.94691	0.2
179.03546	0.4
187.07732	0.9
188.08028	0.9
191.05617	18.1
192.05952	7.4
193.06215	0.4
213.09320	0.4
214.09662	0.6
232.10855	0.3
233.71899	0.2
248.06139	0.5
257.08371	0.8
258.08511	1.9
275.09430	0.4
276.09726	1.0
317.13599	0.2
389.21494	0.5
390.22064	2.6
402.13211	0.4
407.19855	0.2
450.15231	1.6
451.25674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86501	0.4
55.01879	0.5
57.03444	0.6
59.01384	100.0
60.01717	0.6
61.04761	0.4
61.98836	5.1
65.11751	0.4
67.01891	0.8
68.94541	0.4
70.87131	1.1
71.01383	6.8
73.02950	1.5
78.55820	0.4
83.01414	0.5
84.51867	0.3
85.02959	3.7
87.00909	0.6
89.02463	3.4
90.47440	0.3
93.03475	3.5
95.01403	0.8
99.00885	0.6
101.02448	6.8
109.03057	0.3
111.04552	0.8
113.02453	3.1
119.03547	1.6
125.02509	0.5
125.06258	0.4
143.03542	0.6
149.04628	0.5
159.02968	0.8
159.04477	0.5
161.04555	4.6
173.04602	1.7
179.05701	0.9
187.07738	1.6
191.05618	17.1
192.06035	0.5
213.09235	0.5
228.04425	0.5
231.10309	0.6
245.85135	0.4
257.08212	2.3
275.09369	1.3
389.21799	19.3
390.22424	1.3
449.14890	0.8
449.24069	1.1
463.55795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47086	0.5
57.03452	5.6
59.01380	11.4
59.01679	0.6
59.32810	0.5
60.01693	0.5
61.98830	100.0
66.16992	0.4
67.01888	0.6
68.74380	0.4
68.99830	0.5
69.03443	0.4
71.01382	3.6
71.55517	0.7
73.02952	0.6
81.03479	0.5
82.03020	0.6
83.01381	0.5
85.02963	1.8
87.00862	0.8
89.02444	3.1
93.03457	2.6
96.96008	0.7
99.04516	3.2
101.02453	6.5
102.02782	0.5
103.02856	0.5
108.01881	0.4
111.04552	0.6
113.02477	1.7
119.03500	1.1
121.01095	0.4
123.04527	0.8
125.02457	1.3
127.04069	0.5
129.67581	0.5
131.32138	0.4
133.02968	1.0
135.04543	3.4
151.00473	0.7
155.03564	0.8
161.02473	4.4
161.04523	4.9
163.11327	1.4
173.04500	3.5
175.88200	0.5
176.04066	1.9
176.54337	0.5
179.03465	3.1
191.05615	6.2
192.05956	0.8
207.10416	0.7
216.07445	0.5
217.06137	1.5
226.08046	0.7
227.08397	0.7
228.08540	0.7
233.06660	0.7
243.11414	1.0
248.06143	6.1
248.56276	1.7
249.75815	0.4
259.06180	1.5
260.06461	1.4
266.97235	0.5
287.05722	0.8
288.06061	1.8
335.07651	3.2
387.16589	19.0
388.17114	0.8
422.11755	0.8
450.11453	0.9
451.17368	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	449.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
65.35754	0.3
67.01871	0.6
70.87868	0.5
71.01371	0.7
73.02942	0.4
76.91963	0.3
81.03500	0.4
81.26740	0.2
83.05039	0.3
85.02955	9.7
87.00874	2.5
93.03470	4.2
99.04551	0.5
109.02964	0.7
111.04513	1.3
117.16310	0.2
119.94794	0.2
127.04024	2.6
171.03018	0.9
172.05330	1.3
173.04561	1.7
173.05907	0.4
183.04488	0.4
187.07649	7.8
188.07916	0.4
191.05611	100.0
192.05933	1.9
199.03928	0.9
200.04729	0.5
213.09251	1.5
215.07092	1.6
227.03488	0.9
228.04298	1.1
229.08784	0.5
231.10197	1.3
257.08188	9.8
258.08484	0.3
275.09253	0.8
449.14465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
58.15898	0.6
58.69963	0.6
59.01381	2.7
60.96060	0.5
60.99312	4.7
62.91000	0.5
63.64360	0.7
65.03970	0.6
65.45111	0.5
67.01891	13.8
69.03445	3.7
69.42038	4.1
69.42437	1.0
70.06825	0.5
71.01379	6.2
81.03458	1.8
81.56502	0.6
81.91041	0.5
83.05043	1.6
85.02949	2.2
87.00880	21.0
93.03460	100.0
94.03799	2.1
95.30816	0.5
99.00900	1.8
99.04517	1.4
105.03441	1.5
109.02934	1.4
111.04518	16.7
113.02424	2.1
117.06843	0.6
124.01677	1.1
129.01945	2.4
132.02156	0.6
132.08084	0.6
133.02966	5.0
134.03763	8.5
135.04539	11.4
137.02449	1.3
143.03511	1.1
150.03241	0.9
151.03979	1.9
153.01894	0.7
155.03494	3.7
160.01685	2.9
161.02423	1.0
162.03261	1.8
173.04544	68.7
174.04918	2.0
177.01851	1.1
178.02757	0.9
179.03520	3.4
180.04274	0.6
187.07658	0.8
191.05608	21.3
231.10284	6.9
257.08224	2.0
275.09277	6.7
307.08405	0.7
308.08939	3.3
351.07159	1.4
352.08102	3.0
449.14526	57.4
450.14859	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	449.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37106	0.6
59.01379	0.9
60.99307	2.1
65.30424	0.6
67.01888	5.1
67.37015	0.5
69.03464	1.4
69.21225	5.6
69.35906	0.6
71.01378	2.8
72.71201	0.6
81.03445	1.2
83.05085	1.0
85.02952	1.7
87.00882	7.0
93.03461	31.4
94.03770	1.0
99.00823	0.7
99.04455	0.7
101.66097	0.6
104.01260	0.6
107.05021	0.7
108.02184	3.2
109.02972	0.8
111.00885	1.0
111.04529	4.8
113.02410	0.8
118.70284	0.6
121.02943	2.0
122.03750	1.6
124.01670	8.3
125.02457	2.8
126.03228	2.4
127.03975	0.7
132.02081	0.8
133.02994	4.5
134.03748	17.8
135.04530	100.0
136.05228	3.2
137.02452	2.7
149.02547	0.8
150.03198	5.4
151.04018	14.9
152.04242	0.7
155.03564	1.4
160.01688	2.6
161.02448	2.0
173.04541	14.8
177.01926	1.6
178.02747	1.3
179.03493	22.4
180.04300	5.3
191.05598	16.6
194.02141	0.7
257.08188	2.6
275.09244	1.9
290.08078	2.0
307.08224	7.4
308.09006	24.1
309.09430	0.7
323.07654	0.8
351.06915	1.4
352.07977	20.5
353.08514	1.6
420.83224	0.7
449.14532	18.0
449.24869	0.8
450.15012	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.3
59.01381	29.6
61.98819	2.1
63.28876	1.4
67.01891	12.3
67.18793	1.5
68.99817	24.9
69.03448	2.3
69.37601	10.5
71.01386	29.5
72.99298	2.3
73.02942	6.3
75.00854	1.9
78.54374	1.3
80.91681	1.7
81.03452	3.5
83.01386	5.3
85.02948	13.2
87.00883	3.5
87.04512	3.5
89.02452	18.8
93.03442	4.3
95.01379	3.2
96.96005	4.9
99.00873	3.8
99.04501	4.3
101.02444	100.0
102.02774	2.5
109.02958	53.9
111.04489	1.5
113.02451	12.6
119.03489	9.2
121.02955	5.5
122.85191	1.4
123.04450	2.6
125.02448	11.7
127.04018	46.7
127.04941	1.6
133.02937	1.7
135.04477	2.0
137.02390	2.4
137.53569	1.5
139.04025	47.7
149.02507	1.9
151.00328	3.8
151.04047	1.4
153.01895	1.5
159.03004	2.4
161.02399	2.1
161.04581	13.7
161.52336	1.4
163.04074	1.5
165.01924	3.0
172.05336	1.3
173.04561	4.6
173.06102	1.7
176.04015	2.2
178.99788	3.4
179.03514	2.6
179.05540	2.7
184.43301	1.8
191.05585	20.1
192.05833	1.7
193.06323	1.4
204.41835	1.5
209.04512	2.6
211.06097	6.2
215.07135	2.6
223.06105	6.4
241.07193	67.2
242.07507	2.0
243.06638	8.1
249.78741	1.4
252.82147	1.3
259.06134	21.2
275.08749	1.4
283.06119	5.1
287.05566	15.8
287.18561	4.0
371.10223	1.4
403.12247	1.5
421.11560	2.0
449.24011	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	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21047	0.4
51.63980	0.5
57.03447	6.5
59.01385	10.3
60.01711	1.2
60.72754	0.5
61.09275	0.5
61.98833	100.0
62.98541	1.4
63.02381	0.5
63.99262	0.6
65.00314	2.4
71.01382	2.2
78.33233	0.6
81.03462	0.9
81.64959	0.4
83.01389	3.8
85.02982	0.6
87.12489	0.4
89.02456	2.2
90.34872	0.5
93.03466	1.8
96.95921	0.5
97.02991	1.1
98.19875	1.6
101.02431	1.8
103.15510	0.5
107.01382	3.0
107.05050	0.9
109.02953	0.6
113.02453	0.8
113.11071	0.5
117.03466	1.1
121.02972	1.5
125.02454	55.2
126.02833	1.1
131.03499	0.5
133.02942	0.8
137.02458	0.8
139.04079	1.0
149.02435	4.8
151.00386	13.8
152.01202	3.2
153.01953	4.4
155.05086	0.7
163.00395	0.9
165.01964	2.7
172.05360	1.2
173.04726	0.6
173.06073	2.3
176.01147	0.7
177.05548	1.5
178.99867	8.2
179.03464	2.5
179.05617	0.6
181.01518	0.4
191.05632	3.3
197.06076	1.4
199.04004	0.6
201.05649	2.5
215.07144	2.2
225.05600	1.6
241.05064	1.8
243.06642	2.9
259.06116	43.9
260.06451	2.5
269.04550	37.9
270.04935	1.8
275.09207	1.0
283.06155	0.9
287.05618	31.7
288.05966	1.2
342.05862	0.8
349.20181	0.5
421.11465	1.0
424.03519	0.5
431.09836	0.8
449.10880	42.0
450.11481	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	449.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62459	0.5
56.10748	0.5
57.03447	5.9
57.74427	0.5
59.01378	10.3
61.98829	6.4
62.69919	0.6
63.02392	1.3
65.00320	2.9
67.01900	0.6
68.81091	0.5
68.99838	0.6
69.43087	4.2
71.01376	5.3
73.02924	0.8
73.11034	0.6
81.03451	3.8
82.69566	0.5
83.01386	5.6
85.02972	2.8
87.00880	1.0
89.02435	3.8
93.03455	6.3
95.01395	1.2
96.95992	1.3
97.02956	0.9
98.20614	1.2
99.00840	0.7
99.04500	1.0
101.02452	4.0
107.01393	5.4
108.02207	0.6
109.02946	2.3
111.04488	0.8
113.02429	2.0
119.03502	1.7
121.02930	1.8
123.00882	0.7
123.04568	2.8
124.01648	2.1
125.02444	46.8
126.02789	0.7
127.04000	0.7
131.05014	1.1
133.02940	3.4
135.04509	0.9
137.02428	1.5
139.04004	1.6
145.02982	0.7
149.02406	2.1
150.45470	0.5
151.00354	18.1
152.01205	3.7
153.01941	5.9
156.05782	0.7
157.06563	1.1
158.03757	1.3
159.04402	1.0
161.02448	1.2
161.04543	2.4
163.04077	0.5
163.11249	1.0
165.01930	1.2
166.02747	0.7
167.03516	1.5
171.04538	0.7
172.05247	4.2
173.04509	1.7
173.06056	9.7
175.00378	1.8
175.03975	2.0
176.01273	0.7
177.05536	4.0
178.99860	16.7
179.05635	0.6
181.01462	2.8
187.07558	3.1
191.05598	21.1
192.05901	0.8
197.05966	0.8
199.03987	0.8
199.07654	1.5
200.04800	1.3
201.05551	2.1
203.03577	0.8
214.06294	0.6
215.07129	15.7
219.06635	0.9
241.05025	2.5
241.07141	0.7
243.06573	6.8
244.06912	0.6
248.06110	0.8
255.06622	1.0
257.08069	2.8
258.05508	0.5
259.06091	100.0
260.06458	5.3
269.04514	2.0
271.05945	0.7
273.07687	1.5
275.09366	0.8
280.68625	0.5
283.06091	17.3
284.06439	1.0
287.05594	63.3
287.18481	1.1
288.05951	3.4
301.07166	7.5
311.05658	1.2
313.07239	2.7
329.06815	0.9
341.05252	0.7
387.16571	4.1
389.21790	0.8
421.11417	16.7
422.11801	1.2
449.10907	9.7
449.24426	3.0
450.10965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.2
60.01719	0.8
61.98832	100.0
68.99807	0.4
69.12800	0.3
69.32284	1.0
69.32703	1.5
71.01382	1.7
73.02954	0.3
85.02962	0.8
87.00912	0.3
87.66875	0.3
89.02457	2.4
89.97355	0.3
93.03488	0.9
101.02456	2.7
103.51447	0.3
113.02461	1.0
113.39519	0.3
115.02342	0.3
119.03533	0.7
149.04619	0.5
161.04573	0.9
173.04651	0.4
191.05623	4.3
227.09235	1.5
257.08371	0.5
388.20020	0.3
389.21948	0.8
416.52902	0.3
420.08856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72662	0.5
57.03445	6.8
59.01380	11.7
60.01712	0.7
61.01814	0.9
61.30513	0.5
61.98828	100.0
62.98540	1.3
63.02401	0.7
63.99257	1.0
65.00333	2.0
66.72814	0.5
71.01392	1.6
81.03470	1.0
83.01395	3.9
85.02975	0.9
85.27271	0.6
89.02460	1.6
93.03471	2.1
95.01344	0.6
97.03018	0.8
98.20754	0.9
101.02450	2.1
107.01421	2.8
109.02956	1.2
111.00909	0.6
113.02473	0.8
117.03471	1.1
118.30295	0.5
121.02965	1.8
123.04514	0.9
124.01669	0.7
125.02443	57.3
126.02789	1.2
133.02985	1.9
137.02501	0.7
139.04007	1.5
144.45213	0.5
149.02423	6.4
151.00371	15.0
152.01166	3.5
153.01932	4.5
156.05762	0.6
161.04532	0.6
163.00385	1.2
165.01962	2.7
169.06715	0.6
172.05313	0.9
173.04720	0.9
173.06021	3.4
176.01181	1.1
177.02011	0.9
177.05573	1.6
178.99838	9.1
179.03487	2.4
179.05634	0.5
180.05910	0.6
187.07639	1.5
191.05562	3.8
197.06071	1.2
199.04018	0.7
200.07892	0.6
201.05589	1.9
213.05571	0.9
215.07086	3.4
225.05527	2.9
241.05084	2.1
243.06607	3.9
251.98447	0.5
259.06088	47.1
260.06497	2.7
265.85883	0.5
269.04526	44.2
270.04767	2.7
275.09174	1.0
287.05597	35.2
288.05975	2.0
311.05765	1.1
342.05902	1.1
421.11676	0.9
431.10062	1.1
449.10849	52.7
450.11179	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	447.3113
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
57.01878	0.3
57.03426	0.4
59.01378	5.1
61.98808	1.4
66.17033	0.3
66.66405	0.3
66.94670	0.3
70.56359	0.9
79.72001	0.4
98.20523	0.5
121.41888	0.3
132.08214	0.3
137.02779	0.3
255.02846	0.4
297.93472	0.3
371.29681	0.6
401.30515	0.9
447.31131	100.0
448.31509	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	447.3118
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
50.60053	0.2
59.01366	1.0
61.98842	1.2
69.96631	0.4
69.97038	0.7
78.95911	1.1
152.99554	2.0
156.76457	0.2
185.54436	0.2
255.02866	0.3
287.00055	0.2
371.29434	0.8
401.30756	1.1
429.29901	0.3
447.31134	100.0
448.31509	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	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32578	0.3
59.01067	0.4
59.01381	16.6
60.01721	1.7
61.98831	100.0
68.99825	0.3
70.82850	0.4
70.83179	0.5
71.01387	1.1
83.01411	0.3
85.02978	0.4
89.02444	0.8
101.02439	1.1
102.02805	0.4
107.87380	0.3
113.02452	0.7
116.75410	0.2
119.03539	0.4
125.02476	0.9
135.04533	0.3
139.28976	0.2
143.03445	0.3
153.09064	0.3
161.04604	0.5
179.05650	0.3
191.05643	0.5
208.14258	0.5
225.07765	0.5
226.08092	0.4
259.06143	0.6
269.04572	0.6
287.05658	0.4
293.89456	0.3
340.49527	0.3
348.07053	0.3
388.20441	1.5
449.10934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29614	0.3
56.48563	0.3
57.03432	0.3
58.00599	1.7
59.01379	3.7
60.99302	1.1
61.92152	0.3
69.03458	0.5
70.85610	0.4
70.85960	0.9
72.89945	0.4
75.00871	1.7
78.74185	0.4
159.35194	0.4
191.05632	0.5
214.63089	0.4
237.64041	0.4
329.25467	0.4
337.25394	3.8
351.23172	0.6
353.24878	0.5
355.22842	0.5
355.26483	3.3
367.26532	4.4
369.24335	5.7
371.25909	6.5
373.28040	0.5
378.58945	0.4
381.24191	0.6
383.25958	5.4
385.27518	4.2
399.25287	4.4
401.27115	2.1
403.28629	0.7
411.25543	1.3
429.26437	6.3
430.26926	0.6
433.25952	0.8
447.27515	100.0
448.27853	9.7
468.16827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10625	0.3
55.01889	0.3
57.30943	0.3
59.01378	1.6
73.02944	13.4
82.21500	0.3
85.02953	0.6
85.57572	0.3
96.95996	0.4
98.19904	1.2
101.02464	0.5
104.08920	0.3
108.02175	0.5
111.00877	1.9
135.00829	0.6
146.27718	0.3
152.01166	0.5
191.05635	1.2
229.08524	0.5
243.06645	4.0
284.03076	0.4
327.23450	0.6
329.21201	36.8
330.21582	2.6
341.24759	1.7
342.25140	0.3
355.18707	0.6
355.22766	7.0
367.26282	0.6
383.25848	0.4
385.27505	5.1
386.27817	0.3
401.26831	0.7
403.24792	5.1
404.25317	0.5
411.24908	0.5
429.26633	1.5
447.27509	100.0
448.27847	9.4
457.97244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50766	0.4
59.01382	100.0
60.01712	0.8
61.50861	0.4
61.98829	4.2
65.44243	0.4
65.71181	0.4
67.53836	0.3
68.99821	1.5
69.25840	3.1
71.01391	4.3
73.02940	1.1
74.12481	0.4
85.02952	1.0
89.02467	2.3
99.00877	0.4
101.02445	7.4
113.02468	2.0
118.18965	0.5
119.03534	1.6
123.04531	3.1
123.08161	2.3
143.03407	0.6
148.74693	0.5
154.04857	0.4
161.04553	4.0
163.11322	1.4
179.05638	1.5
189.12924	2.2
191.05756	0.5
195.50974	0.6
207.13908	4.9
225.07661	2.9
225.15039	1.7
225.95244	0.4
284.07401	0.4
329.01230	0.4
387.20026	3.1
447.22519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
58.00592	1.2
59.01379	4.4
61.98812	0.5
65.77332	0.4
71.01383	0.6
71.09799	0.7
72.99289	0.4
73.02971	0.4
75.00874	7.5
76.35581	0.4
85.02951	3.2
87.00855	0.4
88.99583	0.3
89.02454	0.4
93.03458	0.5
96.96021	1.1
101.02438	0.7
116.45978	0.4
118.98098	0.6
145.56557	0.4
148.79002	0.3
191.01993	1.4
191.05600	2.9
199.01231	0.3
211.13368	0.6
227.03600	0.7
255.02946	0.6
284.03296	0.7
285.03851	0.6
328.97180	0.4
343.26361	0.4
353.47223	0.4
355.22806	0.5
365.24902	0.5
367.26447	6.0
369.24216	1.9
371.25940	6.3
372.26013	0.5
383.25845	1.0
385.27701	2.0
401.26959	6.4
402.27869	0.5
403.28714	2.3
411.25528	1.5
429.26453	11.2
430.26602	1.0
447.27512	100.0
448.27869	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
58.00582	0.4
59.01382	100.0
60.01718	0.8
61.98834	0.5
65.77311	0.3
69.52309	1.5
71.01383	10.3
72.99296	0.4
73.02944	0.5
74.91427	0.3
78.48697	0.3
83.01431	0.3
85.02964	1.8
85.99554	0.3
87.00916	0.9
87.84092	0.3
89.02448	15.2
96.96016	0.7
98.19882	0.5
101.02438	4.6
113.02456	3.4
119.03504	6.4
131.03557	0.8
131.72771	0.3
143.03508	1.8
149.04573	0.6
161.04568	2.6
173.04596	0.3
179.05612	11.9
179.07210	0.6
180.05910	0.4
184.17192	0.3
191.05585	1.6
197.08197	0.6
203.96960	0.3
273.28827	0.4
359.13635	0.4
387.20306	0.9
447.09082	0.5
447.22580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
59.01381	65.7
60.01721	0.8
62.67358	0.5
63.11883	0.7
68.99817	22.7
70.28992	0.7
70.29349	2.1
71.01382	6.8
73.02946	1.3
78.95915	0.7
85.02956	2.5
86.39760	0.6
87.00899	1.0
87.06673	0.7
88.98814	2.5
89.02447	4.9
91.65121	0.7
91.82851	0.6
93.03461	5.0
96.96005	4.5
98.20575	0.6
101.02444	100.0
102.02778	1.7
103.04040	1.4
105.03492	0.8
107.05018	2.2
109.02991	0.6
113.02451	1.3
119.03498	1.9
119.05016	1.4
120.09216	0.6
121.02937	2.4
122.27897	0.6
123.03244	2.6
123.04530	16.0
124.03609	1.0
125.02437	1.0
127.04053	0.6
135.04510	2.7
137.02463	1.1
138.05617	38.7
139.05981	18.2
143.03552	0.7
147.04524	0.8
151.03984	2.1
154.01413	1.1
161.04503	0.9
163.03989	1.4
163.06142	0.8
180.76389	0.6
191.05589	10.7
192.05946	0.8
195.06630	16.3
195.08334	1.3
225.07684	72.2
226.08015	2.8
229.08647	0.7
236.56653	0.7
255.06593	0.8
267.85013	0.6
273.07724	0.9
387.12900	1.9
447.13000	1.1
447.17395	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62793	0.5
57.07841	0.5
59.01386	1.4
62.81676	0.5
67.12064	0.5
68.69954	0.6
69.70727	2.1
69.71146	1.1
74.60881	0.5
85.02966	1.4
93.03487	1.2
98.19964	0.7
101.02438	0.6
107.01407	1.1
108.63003	0.5
113.02375	0.6
145.99878	0.5
151.00369	2.2
152.46584	0.6
163.00320	0.6
163.27855	0.6
169.01396	0.6
181.22623	0.5
183.04521	1.0
185.06094	0.5
187.04059	1.0
191.05615	19.9
202.42725	0.6
211.03896	1.3
227.03496	59.5
228.03694	3.1
229.04968	1.4
229.08658	1.4
240.04135	0.8
255.02985	78.4
255.06622	2.9
256.03613	9.5
257.04312	1.6
280.36874	0.6
284.03265	69.6
285.03976	20.4
286.04379	1.7
327.05170	1.7
384.13229	0.6
447.09274	100.0
448.09622	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49941	0.4
63.42006	0.4
69.43385	1.2
69.43811	1.4
72.27497	0.4
76.25607	0.4
83.01398	0.4
89.71045	0.4
96.30072	0.4
100.79089	0.4
107.01389	0.9
117.03413	0.4
125.02436	0.9
132.58301	0.4
140.20609	0.4
151.00339	1.7
174.03185	0.6
183.04477	1.2
187.03960	0.7
191.05623	1.6
211.04002	1.8
213.05565	0.6
227.03481	64.7
228.03880	3.1
229.05017	1.6
255.02968	75.7
256.03613	9.3
257.04529	1.3
284.03244	61.5
285.03961	25.4
286.04477	1.3
327.05051	1.3
447.09283	100.0
448.09628	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	447.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49235	0.7
51.63883	0.7
59.01378	14.3
65.03963	5.7
65.12926	0.6
65.13281	0.7
67.01914	2.4
68.32356	0.6
69.03464	1.1
71.01379	14.0
71.56051	0.9
72.99348	0.8
73.02950	2.0
78.86890	0.6
81.03474	0.7
83.01420	1.2
85.02943	3.9
87.00869	1.7
89.02441	11.7
89.02937	1.0
91.01905	1.1
93.03497	1.3
95.01404	0.9
96.96024	2.2
97.02954	1.4
98.95603	1.3
99.00910	0.8
101.02441	6.3
109.02956	70.3
110.03339	1.5
111.00919	1.4
113.02474	2.2
119.03569	0.9
120.99678	1.0
125.02467	4.5
127.75620	0.7
131.03534	2.0
135.00879	9.3
143.03470	0.8
149.04561	2.1
151.00391	1.6
152.01094	0.9
153.01941	100.0
154.02287	2.9
161.04533	1.1
191.05568	5.4
200.11986	0.7
293.08667	1.4
447.11380	48.7
448.11862	3.7
451.04355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2953
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
55.28662	0.3
57.03418	0.3
59.01378	36.0
67.11250	0.3
69.03446	0.3
69.35572	0.7
69.35978	1.9
85.58543	0.3
91.04013	1.1
144.83458	0.3
193.65938	0.4
311.22256	5.5
325.25397	0.6
353.28415	2.3
397.27502	0.7
399.29062	0.5
415.28531	1.7
427.28427	2.3
438.65393	0.4
445.29559	100.0
446.29877	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	445.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.2
61.98834	0.3
69.58520	1.4
71.05023	0.3
73.86040	0.2
75.05440	0.2
76.80281	0.2
95.97166	0.2
126.87552	0.2
269.75311	0.2
290.26816	0.2
325.25250	0.4
341.28275	0.3
353.28516	2.2
355.26447	0.3
365.28860	0.2
397.27417	0.5
399.29099	0.3
415.28522	1.5
418.69604	0.2
427.28528	2.9
443.27887	0.3
445.29559	100.0
446.29929	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	445.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.4
59.01381	11.8
60.99292	0.7
61.98538	0.4
61.98830	6.8
69.03449	1.4
71.01391	1.9
73.02930	0.6
75.00858	1.8
79.96231	0.3
82.20789	0.3
89.02415	0.9
89.28515	0.3
98.20731	0.6
101.02422	1.2
102.69428	0.3
107.04994	0.3
110.01968	0.4
121.02932	2.0
153.09300	0.3
179.90607	0.4
205.05016	0.9
209.11794	0.6
211.13426	1.9
214.24246	0.4
223.06107	1.1
238.05881	0.4
253.60080	0.4
271.17444	0.4
290.93610	0.4
293.18881	0.8
297.22263	0.5
307.20737	0.7
309.22253	12.1
310.22495	0.5
311.19958	0.7
315.23441	0.5
325.21567	1.2
327.23236	4.2
328.23596	0.5
341.20938	0.3
353.20816	0.5
353.24866	2.0
363.23117	0.6
365.20877	0.5
365.24869	3.5
367.22708	3.6
369.24405	6.1
371.25864	0.8
381.24332	5.1
383.25943	4.8
385.19171	0.4
385.23752	1.7
397.23801	5.1
399.25406	2.1
401.26968	0.8
409.24002	1.1
427.24875	5.1
428.25510	0.5
431.24084	0.5
445.25882	100.0
446.26251	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	445.2079
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.87514	0.6
57.03446	10.2
59.01378	70.3
61.98829	3.1
67.40946	0.6
69.03453	1.2
69.40778	5.1
71.01382	10.9
73.02947	2.6
82.95430	3.4
83.01373	1.2
85.02946	4.4
87.65230	0.6
89.02445	3.7
95.05044	2.2
96.96008	4.1
97.02945	1.2
97.06581	3.0
98.53876	0.6
99.00858	1.0
101.02429	7.1
107.05020	0.7
108.02216	0.8
109.06599	2.9
112.05143	0.6
113.02439	3.6
119.03525	1.1
121.06598	1.0
123.04523	5.8
123.08147	1.6
135.08167	1.5
143.03531	1.3
147.08167	6.2
149.06035	1.0
149.09726	2.3
151.11256	3.3
153.09215	1.9
155.94511	0.6
159.03014	1.2
161.04546	22.7
161.09705	3.2
163.07693	1.4
163.11229	4.0
164.08405	1.4
171.08177	0.9
175.11295	0.8
177.12799	2.2
179.10771	100.0
180.11121	4.5
185.03847	1.5
187.11272	9.8
188.08386	1.1
188.11681	0.7
189.09201	2.8
190.09985	1.2
191.05577	2.9
195.13881	2.0
203.10841	3.3
205.12325	97.0
206.12697	5.6
209.11842	5.0
223.13377	14.6
227.07043	0.8
308.56879	0.7
341.16019	7.7
342.16110	0.7
367.17511	2.2
446.08655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.0
59.01380	12.5
61.98844	0.6
68.99855	0.6
71.01398	1.5
71.32864	0.6
71.54574	0.8
73.02948	6.6
78.26591	0.6
89.02459	1.5
96.96016	1.5
101.02430	1.6
121.02962	2.8
129.62663	0.6
143.92015	0.6
177.05560	0.8
178.05966	0.7
179.05626	0.7
205.05074	2.1
212.22696	0.6
223.06134	2.2
305.21210	13.5
306.21558	1.1
331.22787	0.9
339.26920	1.6
343.08548	0.7
343.22778	15.1
344.22958	0.8
355.22754	0.8
357.24326	1.9
369.43466	0.6
371.22266	1.0
381.24136	0.9
383.25912	61.4
384.26199	5.9
399.25436	1.0
401.23077	4.3
401.27530	12.4
402.27502	1.3
417.26477	2.5
445.25922	100.0
446.26306	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.34664	0.8
69.35074	3.1
78.91888	2.5
91.04016	0.8
93.44670	0.4
98.20667	0.7
123.64119	0.4
128.60196	0.5
143.22554	0.5
144.94098	1.5
179.14948	0.5
192.72353	0.4
206.23790	0.4
233.15489	0.6
251.16501	0.6
291.19669	1.3
309.20844	2.5
347.90677	0.5
397.28262	0.5
429.27686	0.5
443.28055	5.3
444.28394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.28
Annotation	Hyrtios sesterterpene 3
Peak:m/z	Relative Intensity
57.03441	2.9
59.01384	6.6
60.99295	1.7
61.98832	1.2
71.01419	0.8
71.05035	1.5
71.24351	1.1
71.24693	1.0
73.02940	1.7
79.56638	0.8
101.06119	0.9
138.95364	0.9
140.10115	0.8
208.07614	0.8
273.04169	0.8
285.90289	0.9
323.23956	0.8
335.23782	2.0
338.52881	0.8
345.99860	0.8
349.21490	1.1
351.26910	4.5
353.24759	1.0
363.26718	1.0
365.24844	2.6
381.27945	6.9
397.27460	3.7
399.29074	2.7
403.67621	0.9
415.28580	3.2
443.28027	100.0
444.28427	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	445.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83684	0.3
55.01864	0.4
57.03443	0.6
59.01379	7.9
68.99835	0.3
71.01389	4.7
71.55862	0.5
73.02959	0.7
83.01391	0.5
85.02940	1.3
87.00862	0.3
89.02461	1.2
92.11619	0.4
92.35309	0.3
93.03461	11.1
95.01366	0.4
96.96043	0.4
99.00867	0.5
101.02441	4.0
107.05130	0.4
107.05833	0.3
113.02452	2.1
119.05029	100.0
120.05364	3.0
121.02976	2.3
133.06601	0.5
135.04532	0.4
136.01662	1.0
137.02443	22.6
138.02803	0.3
145.02972	0.5
149.06093	0.4
151.00435	0.4
163.04010	43.3
164.04318	1.7
179.03511	0.7
191.03477	0.3
191.05591	0.8
205.04997	0.8
205.12486	0.5
209.11839	0.6
221.04640	0.5
223.06163	0.9
223.13533	0.3
225.11157	0.4
239.05629	0.5
271.02603	0.9
281.06668	33.0
282.06979	1.8
300.02811	1.5
301.03552	2.3
401.12521	1.2
445.11459	34.7
446.11707	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98805	1.8
70.27888	5.4
71.37547	1.5
74.70780	1.4
159.08473	2.5
172.50346	1.3
217.07220	1.7
357.13950	2.8
359.15350	100.0
360.15320	8.1
427.21597	46.8
428.21786	6.7
443.24850	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	442.101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.1
57.61372	6.1
59.01382	50.4
59.95546	6.5
61.98835	36.5
71.01380	57.9
72.99306	9.1
73.02941	16.9
73.16653	6.0
85.02944	23.1
89.02425	15.5
96.96013	44.1
99.00867	17.1
101.02435	49.5
109.63804	6.4
113.02443	18.2
124.24298	7.4
127.03928	7.8
150.15724	6.1
152.01118	19.6
159.04453	9.3
161.04524	25.9
163.03978	18.2
167.03470	24.6
173.02449	10.5
175.03978	14.4
191.05652	39.5
217.01451	13.6
219.03091	10.7
225.02208	8.6
232.99051	14.4
242.07440	7.8
251.11319	82.2
284.44626	6.4
383.15530	100.0
442.10144	31.6
443.06384	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	442.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01371	1.3
60.00691	0.2
61.98830	100.0
62.98532	0.3
67.76511	0.3
69.45580	1.3
69.45992	0.6
71.01386	1.0
74.02477	0.3
74.03283	0.3
85.02964	0.8
87.00858	0.4
88.98826	0.6
89.02451	0.4
93.03453	1.6
96.96043	0.8
98.20654	0.7
99.04524	1.0
101.02437	1.0
111.00883	0.7
113.02425	0.4
127.04034	0.4
128.03520	0.4
133.02980	0.5
135.04550	1.3
137.02454	0.7
143.04604	0.4
161.02457	1.3
161.04567	1.0
167.04716	0.3
173.04552	1.4
176.04031	1.3
179.03461	0.7
191.05608	8.6
192.05989	0.4
222.92615	0.3
246.48161	0.3
248.06171	0.8
271.05978	0.3
272.09018	0.4
335.07858	0.5
353.08853	0.7
382.17337	0.4
443.16483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.4
57.03439	3.4
58.00608	1.2
59.01379	40.7
59.35942	1.4
61.98834	9.9
70.54626	1.6
70.54967	3.8
71.01385	52.8
71.01778	3.2
72.99293	1.3
73.02949	19.0
75.00893	1.8
82.38048	1.3
83.01393	6.4
84.95158	1.4
85.02954	20.5
86.57043	1.4
87.00887	2.7
88.98828	2.2
89.02454	18.0
95.01434	3.0
96.96000	15.6
99.00883	6.3
101.02444	48.3
108.02190	3.4
113.02450	20.3
119.03498	3.4
120.07578	1.5
121.56216	1.4
123.04521	2.1
125.02435	3.9
131.03488	2.3
139.19382	1.3
143.03487	4.9
152.01120	9.1
154.64751	1.2
159.02948	3.1
161.04544	30.3
167.03488	11.6
191.05589	3.9
251.11365	95.9
252.11633	2.2
383.15585	100.0
384.15866	6.8
410.08130	1.6
443.06424	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	441.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15015	1.3
55.01888	3.5
57.03449	8.8
59.01381	31.0
61.98842	4.2
63.02409	1.3
67.01889	4.0
69.03455	4.1
69.72287	7.2
71.01386	38.9
72.99303	3.1
73.02952	12.8
75.00887	4.0
83.01386	6.2
83.05061	1.2
85.02956	28.4
87.00882	7.4
89.02451	8.9
93.03450	6.9
95.01379	2.4
96.96012	7.2
97.02965	1.5
98.95599	2.6
99.00883	6.7
99.04540	3.4
101.02451	42.4
101.03104	2.4
108.02161	2.3
109.02972	4.4
111.00887	70.4
112.01230	3.0
113.02468	16.9
119.03551	1.6
119.05046	8.5
120.99666	2.3
131.03522	2.7
133.02956	5.5
134.03836	1.5
135.04552	7.2
137.02467	2.6
139.04092	2.7
143.03516	1.5
145.03030	1.3
146.43671	1.3
159.03030	2.4
161.02458	16.0
161.04544	12.9
162.02815	1.6
163.04008	7.3
173.00941	5.6
173.04573	5.4
176.04044	9.8
179.03519	6.6
191.05624	31.3
192.06007	2.1
233.06721	1.5
236.89348	1.5
249.13440	64.7
250.13812	2.8
258.31738	1.5
300.02057	1.7
301.45364	1.4
308.03870	1.3
381.17664	100.0
382.17834	6.7
403.12393	1.8
441.13855	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	441.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35339	5.6
57.03445	9.1
59.01383	77.5
61.98823	21.2
65.39793	5.6
69.36753	20.2
69.37175	26.1
71.01383	57.8
73.02929	15.7
83.01383	8.8
85.02936	34.8
87.00874	7.2
88.98824	7.6
89.02438	12.0
93.03455	18.8
96.63996	5.4
96.96011	34.3
98.49728	5.8
98.95545	6.0
99.00883	6.8
99.04546	6.2
101.02436	48.2
109.02925	9.0
111.00908	30.0
113.02451	23.9
133.02934	21.8
135.04524	14.8
161.02496	9.5
161.04535	26.7
163.03947	9.5
173.04578	27.1
176.03981	13.0
177.01985	7.9
179.03522	8.7
191.05620	91.8
235.11835	60.7
248.06078	11.5
262.73212	6.1
299.72455	6.1
309.15668	9.2
351.07220	12.2
381.17630	84.7
441.09903	8.8
441.13120	5.8
441.19019	100.0
442.19409	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	441.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.9
57.03445	4.6
58.00599	1.6
59.01103	2.7
59.01382	35.4
61.98847	1.8
62.53594	1.5
67.01886	2.3
69.63641	6.5
69.64050	2.4
71.01387	40.6
72.99311	3.1
73.02953	17.1
75.00880	2.4
79.95756	1.7
83.01384	7.2
85.02959	25.9
87.00867	5.8
89.02436	7.3
91.12220	1.5
93.03483	4.1
95.01390	4.0
96.96015	15.4
97.02957	2.4
99.00871	8.3
99.04544	2.8
101.02445	42.2
109.02935	3.0
111.00893	28.2
113.02460	18.8
113.93404	1.5
118.98084	1.8
119.03532	2.9
119.04996	1.6
125.02480	2.9
129.01892	2.9
143.03482	2.0
159.02997	4.6
161.04515	14.6
163.04008	2.6
168.48779	1.7
173.04507	3.1
174.01762	1.5
176.04015	2.3
179.03433	1.9
191.05612	23.1
192.06010	7.1
193.06052	6.6
221.72954	1.6
230.97800	1.5
249.13437	89.0
250.13832	4.3
381.17661	100.0
382.18015	7.2
441.08902	2.1
441.13696	4.5
441.18338	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67559	2.3
55.01899	2.6
57.03446	5.4
58.00591	4.0
59.01379	99.7
64.12437	1.8
70.83115	4.7
71.01383	61.0
72.99297	5.0
73.02945	4.8
76.94813	1.9
79.95747	4.0
83.01403	5.3
85.02953	20.5
87.00876	6.3
89.02446	68.1
92.06689	2.0
93.03462	7.7
95.01392	6.7
96.96011	38.2
99.00937	2.9
99.04499	4.3
101.02438	38.6
109.02951	8.0
109.06612	3.0
111.00922	4.3
113.02442	29.0
118.98083	3.0
119.03503	33.5
124.05227	2.6
131.03481	2.9
133.06599	14.2
134.03639	2.7
135.04524	6.6
137.02461	2.6
139.07678	12.3
143.03459	4.4
145.02840	2.2
147.04518	5.9
149.04491	3.4
149.06056	4.3
159.03081	2.9
161.02441	3.4
161.04556	13.7
169.08749	3.0
172.84938	2.2
173.04535	3.9
179.03571	2.2
179.05617	6.4
191.05576	20.9
192.05949	2.6
193.05064	5.9
205.12361	3.0
217.12245	4.0
219.53677	2.3
235.13240	2.8
240.49976	2.2
294.70132	2.6
330.13168	28.5
331.13873	18.6
397.18680	5.2
424.03448	2.2
441.18158	100.0
442.18179	10.3
462.39395	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	440.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01385	5.7
60.01722	0.5
61.98827	0.9
67.01894	0.6
68.99817	3.9
69.03448	0.6
70.00154	0.4
71.01380	5.4
72.01722	0.7
72.99290	0.6
73.02955	1.7
81.03452	0.6
82.95422	0.7
83.01382	0.7
83.05035	0.6
83.93007	0.4
85.02951	13.9
85.03460	0.8
86.03288	2.5
87.00890	3.3
89.02448	1.4
93.03464	4.8
94.03803	2.6
96.96017	5.4
98.20686	0.7
99.00916	0.6
99.04525	0.8
101.02440	13.5
102.02785	2.9
109.02943	0.9
111.00877	1.6
111.04510	1.3
113.02455	1.6
114.02831	0.4
117.03455	0.4
119.05022	1.3
120.05408	0.6
121.02982	0.7
127.04021	2.6
128.04359	0.8
133.02930	0.4
135.04527	1.2
136.04854	0.6
137.02452	0.6
143.03519	0.4
145.02957	0.5
146.03662	0.5
147.04460	1.7
148.04854	1.2
151.00235	0.4
159.04352	0.8
160.04907	0.6
161.02420	0.9
161.04544	1.1
163.03969	1.4
164.04416	0.9
171.02994	0.9
172.03423	0.4
173.04546	2.0
174.03154	3.0
174.04787	0.8
175.03964	6.8
176.04337	6.6
185.03816	1.0
185.53896	0.4
189.01895	1.5
190.02283	1.2
191.05614	100.0
192.05951	57.2
193.06070	4.2
195.06586	2.4
196.06958	3.1
197.07022	0.4
203.03352	0.5
204.03671	0.5
207.51582	0.4
216.00287	0.6
221.04605	0.9
222.04854	1.0
222.51352	0.4
240.05988	0.6
244.24437	0.4
245.60121	0.5
247.02509	1.3
248.02788	1.7
249.13416	4.1
265.03506	0.6
307.17661	1.2
308.18018	0.7
381.17618	3.8
390.05429	1.8
402.11176	9.8
403.11606	1.1
404.11984	1.0
422.08057	1.4
439.21875	1.5
440.09146	2.9
440.22235	1.8
441.14426	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2852
Annotation	CHEBI:69411
Peak:m/z	Relative Intensity
52.90862	0.1
55.01812	0.2
57.03379	0.3
59.01305	0.3
59.01560	0.1
69.03360	14.6
69.03777	2.0
69.03980	0.6
70.03738	0.2
70.30870	0.3
70.31266	0.3
71.01307	0.2
71.04921	1.1
83.04922	3.5
83.05470	0.3
85.02871	0.2
97.06480	0.2
99.04443	0.3
109.06484	0.5
121.06464	0.4
123.08167	1.1
133.06429	0.2
135.08023	0.6
136.05249	0.2
137.05940	0.1
147.08084	0.1
149.09547	0.2
151.07553	0.2
153.09207	0.9
159.11668	0.2
161.09598	0.2
161.33276	0.1
165.09068	0.3
169.10120	0.3
175.06236	0.1
175.11130	0.5
177.12737	0.2
181.93814	0.1
185.13295	0.3
187.11118	0.4
201.12788	0.3
205.12308	1.1
237.12733	0.3
239.14102	0.1
277.16052	0.2
293.19009	0.2
307.20642	0.5
309.22125	0.2
321.18707	0.3
321.22195	2.0
322.19370	0.2
323.23767	0.7
327.48764	0.2
327.52896	0.1
333.22141	0.8
337.21591	0.4
338.22409	0.4
339.22885	0.2
349.21561	0.3
349.25327	0.4
351.23251	4.3
351.27496	0.2
352.23532	0.4
359.23779	0.1
361.25308	0.2
363.23181	0.3
373.25293	0.6
375.23248	0.4
375.27219	0.3
376.23672	0.2
377.24799	0.3
379.26373	0.5
385.25388	0.4
387.23431	0.2
389.20789	0.3
389.25195	0.2
391.26495	4.7
392.26785	0.6
393.23419	0.8
393.28741	1.0
401.24957	0.6
403.21570	0.2
403.26456	3.1
404.23141	1.2
405.24310	1.6
406.24670	0.2
407.22064	0.2
409.27551	3.3
410.27682	0.4
411.25543	0.2
419.25937	2.7
420.26260	0.3
421.27457	100.0
422.27805	12.7
435.25299	0.9
439.28513	9.3
440.29056	0.9
453.26566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	59.3
61.50911	7.5
70.66714	19.3
71.01398	12.9
75.51614	9.9
77.62974	8.8
77.63443	9.0
96.96009	100.0
101.02459	21.9
109.02975	34.0
135.04558	15.7
161.02516	12.1
161.18068	9.5
165.05530	9.0
173.04549	23.5
191.05594	66.3
195.06615	14.9
227.49034	9.3
233.06673	55.1
241.07199	14.0
249.74754	10.1
250.07265	8.7
267.11102	9.5
439.10172	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	439.101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
69.36467	1.3
71.01369	0.3
78.95904	46.4
79.95737	0.3
89.02456	0.5
93.03452	0.4
96.96037	22.3
96.96959	100.0
101.02434	0.5
102.90461	0.2
105.61192	0.2
127.03996	0.3
151.78795	0.2
171.14517	0.2
181.05032	0.3
233.06912	0.3
241.07098	0.9
246.73264	0.3
341.10931	0.8
385.31592	0.2
403.12170	0.4
439.09344	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	439.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76999	0.3
57.03454	0.5
59.01380	3.4
67.44054	0.4
71.01396	1.3
71.15067	0.9
73.02937	0.4
79.95744	4.3
80.16404	0.3
80.96528	1.9
83.94489	0.4
85.02953	0.9
87.00883	1.0
93.03450	1.3
95.95248	0.7
96.96013	97.4
97.95877	0.4
98.95579	1.3
99.00892	0.4
101.02466	1.5
111.00833	0.6
122.97594	0.9
127.54751	0.4
133.02927	1.4
133.31578	0.4
135.04524	1.0
138.97076	1.0
150.97063	1.4
152.98645	1.7
161.02449	2.1
165.78294	0.4
167.00183	0.9
173.04517	1.3
173.65807	0.4
176.60548	0.4
179.03438	0.8
180.86046	0.4
180.98178	2.3
191.05637	2.7
239.61292	0.5
241.00258	5.6
333.07669	0.9
339.10007	0.8
345.02176	0.5
439.16388	100.0
440.16580	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	437.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11469	1.3
52.74870	1.3
59.01382	9.3
71.01373	2.6
71.97912	1.6
73.02960	1.9
75.00887	2.0
79.50773	1.3
85.02983	2.2
87.00878	2.8
91.05539	60.0
93.03453	7.7
96.96027	6.0
101.02442	2.1
109.02885	1.6
111.04568	1.9
135.04529	100.0
136.04938	2.1
140.40955	1.4
162.61781	1.4
173.04562	6.3
191.05632	17.0
209.11894	9.5
229.08711	2.4
253.03925	1.5
315.06955	1.5
350.33585	1.5
350.37860	1.4
376.52512	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40445	0.4
56.73729	0.4
59.01373	1.3
61.98833	100.0
71.01402	0.5
71.56105	0.6
80.43768	0.4
84.92135	0.4
96.96043	1.2
111.76205	0.4
113.84621	0.3
182.95010	0.4
191.05675	1.1
347.35010	0.4
394.00894	0.4
439.18845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43774	1.0
70.44165	0.6
71.45161	0.3
78.95905	12.1
79.95751	2.2
96.96009	100.0
96.96960	29.0
107.16015	0.3
113.65318	0.3
157.88531	0.3
191.09525	0.3
212.10612	0.3
439.08920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.7
61.98831	100.0
71.01387	1.2
71.55383	0.5
75.00892	0.7
85.02966	1.4
87.00903	0.8
93.03461	2.2
94.03793	0.8
96.96021	1.2
111.00893	0.8
111.04510	0.7
113.02441	1.1
119.05035	1.3
123.04549	0.6
124.04883	0.5
128.43694	0.5
135.04550	1.3
139.46953	0.4
161.02504	1.1
161.04585	0.5
163.04028	0.8
167.03484	1.8
168.03850	0.9
173.04631	1.3
176.03896	0.4
179.03523	1.2
183.05011	0.4
191.05623	4.4
267.07364	0.7
273.07791	1.0
274.07999	2.4
348.28339	0.4
436.07141	0.5
436.14243	0.9
437.09018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1483
Annotation	Semicochliodinol A
Peak:m/z	Relative Intensity
50.53291	0.3
54.57516	0.3
59.01389	1.9
62.90603	0.3
70.01537	1.4
71.01378	1.9
72.99303	0.5
73.02972	0.4
76.79449	0.3
76.98830	0.3
78.07073	0.3
79.95731	6.5
80.06675	0.3
80.96518	1.7
82.38226	0.3
83.01388	0.7
85.02934	0.4
89.02447	0.9
93.03450	0.6
95.95216	4.5
96.96010	91.9
100.51964	0.3
101.02445	1.8
111.00832	0.5
117.03480	1.6
117.25332	0.2
119.05025	1.4
121.02960	0.6
122.97591	0.4
125.02447	0.6
129.01984	0.3
135.04529	0.4
138.97078	1.0
143.10811	0.7
145.02963	6.2
147.04518	0.3
150.97061	1.2
152.98619	2.0
161.02380	0.4
163.03995	0.9
169.83844	0.3
171.35928	0.3
172.83627	0.3
173.04527	0.5
180.98141	3.1
191.05608	1.2
191.91673	0.3
209.11760	0.4
225.00658	0.4
241.00220	6.0
256.99731	2.5
338.82947	0.3
437.14816	100.0
438.15109	8.2
438.19818	0.2
461.99603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0707
Annotation	Cladoniamide A
Peak:m/z	Relative Intensity
59.01371	2.1
63.79836	0.8
69.18956	4.0
69.19389	4.5
71.01382	1.0
72.00907	1.9
75.35947	0.8
79.95733	16.4
80.96507	4.0
93.03440	2.6
98.19924	1.8
100.00391	6.1
107.05019	2.1
119.05033	19.4
132.02193	1.4
133.05275	1.6
134.03746	28.1
134.06131	7.0
135.04494	3.3
148.05334	9.5
149.06088	17.4
160.01660	12.3
161.02411	1.9
161.04703	0.9
162.60616	1.0
163.04018	13.9
175.03999	18.0
178.05075	5.0
180.06665	4.3
181.39247	0.8
184.54869	0.9
190.05150	2.8
191.05621	3.6
206.04585	14.9
206.06357	1.6
206.08139	1.3
207.04872	0.9
214.01828	7.2
242.21480	0.9
287.60016	1.0
297.10193	3.2
312.12396	10.2
313.12610	0.9
346.59055	1.0
356.11395	5.3
392.08170	6.4
436.07047	100.0
437.07407	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	436.071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83965	0.6
51.19001	0.6
51.35776	0.6
51.66876	0.6
52.96540	0.7
52.96798	0.6
59.01386	1.3
69.26388	6.3
71.01381	1.5
72.00915	4.1
77.53188	0.6
79.95742	11.9
80.96516	1.9
85.02959	2.0
86.52412	0.6
87.00883	0.8
93.03449	2.1
96.96011	1.1
100.00409	10.9
106.04260	0.9
107.05054	3.6
119.05033	25.5
125.02462	1.2
130.07047	0.6
132.02200	2.5
133.05255	0.6
134.03752	32.5
134.06104	8.8
135.04597	3.4
138.51219	0.7
148.05318	6.4
149.04898	1.3
149.06090	22.7
150.03215	0.7
150.06401	1.1
160.01677	17.7
161.02324	1.9
163.04015	23.0
164.04314	0.9
175.04010	30.8
178.05081	3.9
180.06635	5.3
190.05072	2.8
191.05658	8.7
191.29314	0.6
192.06052	1.2
206.04591	26.7
207.05008	1.2
214.01805	6.8
244.95520	0.7
297.10071	2.1
312.12482	7.1
356.11371	16.6
357.11542	1.3
383.73108	0.8
392.08185	3.0
436.07074	100.0
437.07074	8.7
437.20334	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65610	1.3
59.01380	41.3
61.98841	1.2
69.96233	5.2
71.01384	81.6
72.01733	1.4
81.03443	2.7
83.05069	1.2
85.02957	18.4
85.03452	1.7
88.44930	1.1
89.02431	7.5
93.03428	1.3
97.02940	1.9
101.02460	4.3
107.04974	2.0
109.02972	2.5
111.04510	1.3
112.01712	1.2
113.02454	16.9
119.03506	1.8
121.02929	2.2
123.04505	7.3
125.02432	2.7
127.04023	3.3
135.04510	4.7
149.06105	8.3
151.04013	7.5
167.07135	2.1
168.75183	1.2
169.05080	3.7
177.05605	3.4
179.03522	1.7
179.05576	2.1
191.05563	2.3
191.07190	2.2
195.06654	21.5
201.01656	1.3
209.08194	6.0
213.07689	100.0
214.08011	3.5
227.02238	1.3
237.07710	1.7
255.08789	8.4
285.09756	3.3
300.62479	1.4
315.10828	4.3
375.07349	5.5
375.12930	93.7
376.13376	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1294
Annotation	Phloridzin
Peak:m/z	Relative Intensity
57.03445	1.4
59.01372	2.3
61.98822	0.4
65.00330	1.0
67.01913	0.4
69.03452	0.5
71.01378	0.6
75.00868	0.4
77.35734	0.2
81.03452	10.3
82.29346	0.3
83.01373	4.4
85.02984	0.6
87.00869	0.5
93.03454	9.4
95.01374	0.5
95.05032	0.5
96.96016	1.0
98.19760	0.5
99.04539	0.3
107.01399	0.7
107.05007	0.3
111.00911	0.4
111.04515	0.4
117.03501	0.3
119.05023	10.1
120.05345	0.3
121.02934	0.3
121.67935	0.3
123.04521	30.0
124.04855	0.7
125.02440	14.3
135.04521	1.8
137.02411	0.4
147.04553	0.4
149.02425	2.2
151.00340	3.4
151.03993	0.5
153.01933	0.4
160.04059	0.5
161.02464	0.3
163.03954	0.4
165.05495	0.4
167.03487	78.9
168.03833	2.6
169.06581	0.3
171.04584	0.3
173.04544	1.2
177.01944	0.6
179.03493	7.2
187.07542	0.6
189.05603	1.6
191.03525	0.8
191.05624	1.4
229.06651	0.3
229.08714	1.0
255.06583	0.7
267.07208	0.3
269.50858	0.3
273.07660	100.0
274.08026	6.5
297.07697	0.6
315.08569	0.3
394.84775	0.3
435.12958	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	435.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00163	0.5
57.03445	1.0
57.23134	0.4
59.01150	0.5
59.01387	5.2
61.98833	8.6
63.96221	0.9
69.03460	0.8
71.01388	9.5
71.55378	0.5
71.55778	0.6
72.10800	0.5
73.02940	2.2
75.00902	2.4
78.95063	0.5
78.98605	6.1
79.95739	7.4
80.96523	62.3
81.03448	1.0
85.02961	3.8
87.00886	3.2
89.02439	1.5
89.93179	0.5
91.05531	1.5
92.65619	0.6
93.03457	1.5
94.98087	15.3
96.96028	4.7
97.02935	1.5
99.04504	0.8
101.02450	4.0
106.98091	3.1
113.02433	1.6
119.03519	0.5
119.05000	1.6
122.97593	5.2
125.02469	3.2
127.04018	1.0
134.03735	1.5
134.97612	3.4
135.04596	1.0
136.99139	0.8
140.07164	0.6
148.99147	5.2
152.98650	7.7
161.04521	1.1
163.04027	0.8
164.98639	9.8
169.13486	1.2
173.04526	1.0
175.03984	0.8
179.03510	0.7
179.05681	0.5
182.99712	3.8
187.06334	0.5
191.05634	6.1
204.06577	1.2
206.04753	0.6
206.99672	3.6
225.00752	18.1
241.34904	0.5
243.01756	2.4
255.13452	1.2
299.04446	4.8
317.05484	8.6
321.38922	0.6
327.13464	1.8
345.14478	2.1
435.09659	100.0
436.10724	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	435.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01382	14.5
68.00385	0.8
69.91738	4.4
71.01383	8.9
73.02964	3.6
79.95740	4.9
80.96530	2.5
81.03494	1.5
85.02962	7.0
87.00876	2.0
89.02466	3.3
93.03459	19.2
95.01425	2.8
96.96018	58.6
99.00870	1.0
101.02448	8.7
103.00399	4.0
104.59127	0.9
108.02183	54.3
109.02966	46.1
110.03265	1.2
113.02464	4.2
115.00403	1.3
119.05065	2.3
121.02981	2.2
123.00848	1.4
133.01492	1.0
134.03795	2.6
134.06145	1.2
135.04518	1.2
136.01706	2.4
137.02458	23.8
149.06139	1.8
151.04103	1.3
152.01164	68.5
153.01952	37.6
163.03998	1.8
164.98708	2.0
173.04509	1.6
175.04047	1.8
191.05614	23.7
192.06122	1.6
199.09775	2.4
202.20259	0.9
213.88124	0.9
214.02866	1.2
217.08647	1.1
221.04718	0.9
241.00385	3.3
243.06691	2.5
281.06693	5.4
312.12784	1.2
315.07245	11.5
334.58304	0.9
349.05981	55.2
350.06470	2.5
391.06952	20.8
392.07626	2.5
435.09592	100.0
436.09875	8.1
436.15842	1.2
436.18600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	62.2
61.15866	1.0
61.98839	1.2
67.01891	16.4
68.99821	5.7
69.83691	5.2
71.01385	5.8
73.02924	1.4
85.02940	1.8
85.13303	1.1
89.02426	3.9
93.03435	2.3
96.96001	4.8
97.02951	9.8
99.00851	1.5
101.02452	24.3
102.16253	0.9
109.02954	3.1
113.02433	1.2
120.39502	0.9
127.04016	81.3
128.04387	2.6
133.02943	2.0
136.03139	1.0
143.03493	1.4
159.97905	1.0
161.02440	8.1
161.04517	2.8
167.10719	1.2
178.49651	1.0
184.21561	1.2
191.03667	2.4
191.05597	8.7
193.05035	1.4
205.99092	1.1
211.06110	100.0
211.09402	2.5
212.06467	4.1
213.27121	1.1
241.00156	3.1
286.75928	1.1
373.11218	8.1
373.15265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	69.4
60.01717	1.4
61.98825	2.0
67.01895	20.1
68.99817	8.4
69.03473	1.0
69.47636	6.7
71.01385	6.3
73.02955	1.1
78.09669	0.8
79.93659	0.9
85.02956	2.9
86.98236	0.8
87.00897	1.8
89.02469	4.2
92.37249	0.8
93.03481	3.1
95.28215	0.9
96.96004	6.4
97.02956	9.3
98.20631	1.3
101.02454	26.0
101.87598	0.8
103.47053	0.9
105.03477	1.3
109.02948	3.7
111.00851	1.2
111.04517	1.3
113.02455	2.5
119.03519	0.9
120.99660	1.5
123.88548	0.9
127.04020	91.6
128.04358	2.5
133.02943	2.8
135.04529	1.5
138.05580	1.3
141.81465	0.9
143.03488	0.9
147.87041	0.8
149.04646	1.2
149.06042	2.0
161.02454	8.2
161.04552	2.1
165.05508	1.2
173.04544	1.5
179.03435	1.7
191.05597	13.0
193.05110	2.2
203.17912	0.9
211.06123	100.0
212.06445	5.6
241.00203	2.7
328.32300	0.8
339.05084	1.3
373.11270	6.1
373.15463	1.5
433.04105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2595
Annotation	(12S,15S)-15-O-Demethyl-10,29-dideoxy-11,12-dihydro-striatin C
Peak:m/z	Relative Intensity
52.10579	0.2
53.40953	0.3
55.00032	0.3
56.59254	0.3
59.01369	1.1
69.03448	0.5
69.81213	1.2
75.33778	0.3
93.03466	1.2
95.05003	0.3
96.95972	0.3
97.70832	0.3
126.86850	0.3
128.17691	0.3
161.02426	0.5
300.20297	0.3
339.23245	1.5
341.24850	0.6
353.20956	0.5
369.24323	7.5
370.24622	0.7
371.25903	33.8
372.26257	3.2
385.23700	0.5
389.26959	18.7
390.27307	2.0
403.25070	0.4
415.24835	2.8
433.25934	100.0
434.26276	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1137
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
52.69789	0.2
59.01368	1.7
63.02397	1.9
65.00323	6.0
67.01864	0.3
69.25694	0.7
69.26110	1.3
71.01382	0.8
83.01379	4.1
85.02959	0.9
87.00882	0.4
89.02480	0.6
93.03455	9.0
94.03801	0.4
96.96059	0.3
101.02422	0.3
107.01389	11.3
108.02215	0.5
109.02972	0.3
111.00835	0.3
113.02475	0.3
119.05025	36.2
120.05360	1.0
121.02952	0.6
125.02431	1.3
131.01385	0.5
133.03029	0.2
136.01660	0.7
137.02408	0.3
145.02972	0.4
151.00365	41.4
152.00662	1.3
164.01117	0.7
165.01910	2.0
169.01427	0.6
173.04539	0.7
175.00389	1.2
177.01920	5.7
178.02235	0.3
178.82062	0.2
185.06067	0.5
187.03946	0.5
191.05603	6.9
191.07346	0.3
193.01407	0.7
197.11789	0.4
227.07172	0.6
259.09665	0.9
271.06107	100.0
272.06427	6.5
290.21652	0.2
295.06186	1.2
313.07178	1.9
433.11005	0.8
433.15561	0.6
433.24326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
50.80793	0.4
56.50998	0.4
57.03449	0.8
57.52839	0.3
59.01381	6.8
63.02394	3.0
65.00323	9.9
67.01899	0.9
71.01377	3.2
72.99271	0.4
73.02952	0.8
75.00890	0.5
80.96562	0.4
81.03474	0.4
83.01388	8.1
84.98875	0.4
85.02943	3.6
86.06284	0.4
87.00863	1.8
89.02457	1.4
93.03462	8.8
95.01386	0.6
96.96032	0.9
99.00871	0.5
101.02418	2.3
107.01390	18.3
107.04996	0.4
109.02953	0.7
111.00864	4.0
113.02438	1.7
115.44888	0.4
117.03458	1.3
119.05029	35.2
120.05369	1.0
121.02913	0.9
125.02439	4.5
127.04060	0.5
133.03023	0.7
135.04536	0.6
137.02434	1.2
140.06015	0.4
143.05017	1.0
145.02940	4.4
151.00368	62.2
152.00685	2.0
157.06595	0.6
161.02542	0.6
161.04556	0.6
161.06041	0.7
163.03865	0.5
165.01950	5.5
169.01427	2.4
172.05360	0.4
173.00897	0.8
173.04544	1.2
177.01913	4.9
179.03452	0.6
184.05373	0.6
185.06061	2.8
187.04004	3.9
191.05609	15.6
192.05949	0.5
193.01398	0.6
197.11879	1.8
199.07649	0.6
204.04201	0.4
209.58986	0.4
215.10643	0.5
219.56247	0.4
227.07077	3.7
253.05110	0.6
259.09714	2.9
267.07153	1.5
271.06113	100.0
272.06445	7.2
295.06339	0.6
301.16486	2.0
313.05548	4.2
405.59787	0.4
433.10815	11.2
433.16217	0.7
433.20840	1.0
433.28448	0.5
434.11795	1.5
442.87885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0774
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03457	0.6
59.01381	14.5
63.02376	0.7
65.00332	1.5
69.32941	3.4
71.01389	5.8
73.02969	1.0
81.38712	0.4
81.85776	0.4
83.01414	1.2
83.60681	0.4
85.02968	2.0
87.00868	0.6
89.02444	6.6
90.17422	0.5
90.82542	0.4
93.03465	1.1
96.96023	0.6
98.20601	0.8
101.02439	4.4
107.01387	2.5
108.02172	1.3
109.02956	2.0
113.02464	2.5
117.97299	0.5
119.03481	2.6
121.02986	2.3
124.50975	0.5
133.02995	0.5
135.00903	0.6
143.03503	0.5
148.01688	1.6
148.31624	0.4
151.00366	10.4
161.02492	0.7
161.04549	1.3
163.00383	3.3
164.01161	1.1
165.02013	0.7
166.52107	0.5
178.99846	5.6
179.03351	0.4
179.05591	1.9
187.03918	0.5
190.99846	0.7
191.05559	4.3
192.00700	0.5
192.05830	0.6
199.03967	0.6
203.03439	0.9
211.03925	1.3
215.03484	0.8
226.02704	2.8
227.03520	3.4
229.04935	0.8
243.03003	13.4
244.03374	1.0
245.04510	1.5
254.02274	2.9
255.02989	25.6
256.03400	1.7
271.02475	63.8
271.19177	0.7
272.02884	5.2
273.03925	1.2
283.02420	1.3
297.85587	0.4
299.02011	1.8
300.02744	100.0
301.03485	60.0
302.03934	3.7
339.05106	1.2
433.07724	71.6
433.24368	2.6
434.08078	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	431.2801
Annotation	Plakortolide N
Peak:m/z	Relative Intensity
57.03445	1.4
59.01382	2.8
60.99302	0.6
69.03454	0.5
75.00903	0.3
90.10248	0.2
101.06084	0.5
115.47166	0.2
117.71371	0.2
119.44527	0.2
299.23590	0.3
301.21857	0.3
305.21298	0.3
313.25189	0.3
314.00613	0.2
314.04108	0.3
321.53024	0.2
324.68134	0.2
339.26880	2.6
341.24747	0.6
343.26279	0.7
351.26764	0.4
353.24982	0.5
355.22513	0.3
359.29605	1.2
369.24280	6.3
369.28186	0.5
370.24564	0.8
371.25861	7.5
372.26349	0.7
387.24423	0.4
387.29031	4.7
388.29288	0.4
413.26990	1.0
431.27988	100.0
432.28305	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	431.2799
Annotation	Plakortolide N
Peak:m/z	Relative Intensity
54.11514	0.3
59.01376	0.7
60.54654	0.2
71.54090	0.3
125.11961	0.3
257.41571	0.3
351.26935	0.4
369.27988	7.2
370.28351	0.5
383.25870	1.8
384.26331	0.3
385.27460	7.1
386.27832	0.7
386.84476	0.3
387.29205	0.6
413.26950	7.9
414.27304	0.9
417.26657	0.3
431.27997	100.0
432.28320	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	432.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63691	0.7
57.03438	0.8
59.01374	7.8
60.01694	1.2
61.01820	1.1
61.98829	100.0
71.10600	1.6
88.29242	0.7
135.40695	0.8
157.64232	1.0
337.45569	0.9
354.30768	0.9
375.28745	0.8
415.29013	1.2
432.27481	1.2
432.32657	1.8
433.29712	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	431.2435
Annotation	Wortmannilactone D
Peak:m/z	Relative Intensity
57.01617	0.5
58.00587	1.0
59.01379	3.8
60.99295	1.0
61.37621	0.5
61.98831	0.6
66.55130	0.5
69.03445	0.9
71.01379	1.1
71.55958	0.7
75.00864	1.6
76.90664	0.5
81.03400	0.5
83.01369	2.4
84.02164	7.4
85.02911	0.6
93.03439	0.7
94.83464	0.5
96.95961	0.8
119.05029	0.5
132.77238	0.6
187.07715	0.6
191.05605	1.1
229.08636	0.5
274.08426	0.9
323.23715	0.5
335.20129	1.3
339.23218	1.9
349.21744	1.0
351.19110	0.6
351.23276	9.3
352.23557	1.2
353.21280	3.9
355.22739	6.5
357.24219	0.6
364.64392	0.6
367.22626	4.5
369.20581	0.7
369.24380	6.0
383.22171	4.9
385.23770	2.7
387.21042	0.7
387.25470	1.4
395.22372	1.5
401.27182	1.1
407.20578	0.5
413.23215	5.8
414.23453	0.7
431.24249	100.0
432.24625	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	431.2801
Annotation	Plakortolide N
Peak:m/z	Relative Intensity
57.03446	1.1
57.43957	0.2
59.01380	3.2
60.99292	0.3
61.98834	0.3
69.03433	0.3
69.26473	1.4
69.26879	0.7
71.05042	0.3
85.12044	0.2
98.19937	0.6
101.06087	0.5
139.45851	0.3
205.24399	0.2
297.24582	1.1
299.23859	0.3
305.21335	0.3
315.23376	0.3
315.26852	0.4
339.27072	2.1
341.24817	1.2
343.26492	1.2
351.27011	0.3
353.24948	0.6
357.27911	0.5
359.29343	1.0
369.24319	4.5
369.28262	0.6
370.24295	0.4
371.25946	6.1
372.26462	0.5
385.23706	0.4
387.29077	2.9
413.26999	0.8
431.28006	100.0
432.28357	10.5
449.29279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03452	0.6
58.00593	0.4
59.01379	100.0
60.01702	0.7
67.01910	0.5
71.01383	11.0
71.55116	0.5
71.55544	0.3
72.99303	0.6
73.02949	3.3
79.95736	0.5
83.01392	1.6
85.02950	5.1
87.00887	1.2
88.98824	1.0
89.02447	7.7
93.03467	1.9
95.01385	0.8
96.96007	1.7
99.00894	1.0
99.04523	0.5
101.02441	8.3
107.01353	0.6
111.00879	1.0
111.04536	0.4
113.02441	5.4
119.03504	3.1
119.21220	0.4
125.02409	0.3
131.03532	0.5
133.02972	1.1
135.04573	0.6
137.02475	0.6
143.03499	0.9
143.05035	0.5
153.01953	0.5
159.02988	0.9
161.02454	1.6
161.04552	5.9
163.00371	0.7
171.04474	0.6
173.04526	1.8
174.01678	0.7
179.05583	2.1
185.05943	0.4
187.03970	1.0
189.05487	0.4
191.05598	3.9
192.05988	0.4
195.10280	0.5
197.06073	0.4
199.04030	0.6
209.15399	0.9
211.03996	0.7
213.05566	0.6
216.91763	0.4
227.03506	12.0
227.07135	1.0
228.04044	0.7
229.04974	2.7
239.03387	0.4
240.04251	0.4
255.02988	18.7
256.03607	2.7
257.04514	1.6
257.08081	1.3
259.06042	1.1
268.03653	0.5
269.17685	0.6
284.03250	18.0
285.04025	27.8
286.04276	1.4
302.08514	0.7
371.20737	11.4
372.21066	1.0
389.21805	1.8
431.09723	18.4
431.22818	3.0
432.10034	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1561
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
55.01863	1.0
56.33862	0.8
57.03442	1.2
58.00594	1.7
59.01383	58.5
61.98535	1.1
61.98834	15.4
62.37530	0.7
65.03970	0.8
65.80180	0.7
69.03452	1.8
70.91685	1.8
71.01388	46.9
72.99315	1.6
73.02955	13.9
75.00863	0.8
83.01385	1.0
85.02955	8.3
85.25303	0.7
87.00854	2.7
88.98786	1.5
89.02451	70.2
93.03466	42.0
95.01402	1.5
97.02963	1.6
98.00034	0.8
99.00884	26.3
101.02451	26.5
101.64960	0.8
108.02196	6.7
109.02976	9.5
113.02453	11.0
115.03987	1.0
116.50563	0.7
117.34238	0.7
117.75948	0.8
119.03522	6.1
119.05033	16.2
120.05373	0.8
121.02967	2.1
123.04496	2.1
125.02453	6.1
127.04057	1.0
131.03511	8.5
133.05052	2.6
137.02454	100.0
137.06046	1.7
138.02773	4.0
143.03458	2.0
149.04561	21.9
152.01158	10.8
153.01952	11.1
161.04520	2.3
165.05603	1.0
173.04614	0.8
179.03522	1.8
179.05598	1.6
191.05598	14.0
206.04996	0.8
209.08131	1.2
221.06610	1.0
236.99648	0.8
239.05722	1.5
251.07840	1.5
269.10083	1.1
293.08594	1.2
296.43179	0.8
297.06140	1.9
299.11316	6.4
315.07254	2.6
387.09247	1.8
395.00348	0.9
430.23148	1.0
431.16040	91.2
432.16254	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75818	0.4
57.03453	0.5
57.33899	0.4
58.00597	0.5
59.01381	100.0
60.01714	1.0
61.98826	0.7
69.23444	0.6
69.23846	3.5
71.01379	6.5
72.99279	0.5
73.02962	1.8
79.95741	0.4
83.01383	1.1
85.02959	2.3
87.00899	0.6
89.02457	2.5
89.46912	0.3
93.03446	1.1
95.01397	0.7
96.96016	11.4
99.00871	0.9
101.02444	4.7
102.98570	0.6
110.03166	0.4
113.02460	2.7
119.03507	1.4
122.49687	0.4
131.03528	0.7
147.19908	0.4
149.04524	0.5
161.04530	1.4
171.10217	0.5
173.04527	1.0
191.05605	4.7
191.07191	0.6
192.05981	0.7
241.00131	1.0
302.13919	0.8
364.88226	0.4
371.20566	1.1
376.59802	0.4
389.21747	3.6
431.15726	13.2
431.22400	0.5
432.16177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1348
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
57.03448	0.4
59.01377	3.8
60.99296	0.7
61.98820	0.5
62.49177	0.2
67.01883	1.6
69.03448	0.6
70.87604	0.6
70.87953	0.2
71.01383	1.1
73.02924	0.3
81.03471	0.5
83.05031	0.6
85.02949	12.0
87.00878	3.9
93.02869	0.6
93.03459	11.2
94.55112	0.2
99.00892	0.3
99.04521	0.9
109.02946	1.2
111.04515	2.7
118.54716	0.3
127.04008	3.2
143.03459	0.3
155.03500	0.5
171.03006	0.5
173.04547	5.8
184.05327	0.3
191.05612	100.0
192.05966	2.9
197.06012	0.5
213.07161	0.5
213.09196	8.6
214.09552	0.5
227.76675	0.2
231.10251	0.5
252.31441	0.3
257.08188	25.1
258.08517	1.5
413.51282	0.3
420.70093	0.3
431.13458	20.2
432.13678	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1559
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
51.70755	0.7
54.52295	0.8
58.00583	2.6
59.01382	68.2
63.13342	0.8
69.33188	6.4
71.01385	49.9
72.99302	2.8
73.02950	19.8
83.01360	1.1
83.13540	0.8
85.02963	6.1
85.49767	0.7
87.00887	1.5
89.02450	100.0
90.02784	1.0
93.03445	3.8
95.01394	0.8
96.96043	1.0
97.02957	2.0
98.40622	0.8
99.00886	32.2
99.01532	1.8
99.04477	0.8
101.02451	33.9
107.04993	1.0
113.02457	8.7
119.03506	5.0
119.05029	7.3
123.37582	0.8
125.02480	4.8
131.03511	18.6
137.02463	7.8
137.06137	1.3
143.03528	1.4
143.43355	0.7
149.04562	57.6
150.04953	1.6
153.01884	1.4
153.05576	1.5
161.02582	1.7
161.04530	3.9
163.11951	0.8
168.00658	1.7
179.05710	1.4
191.05618	20.9
191.07350	1.1
196.53130	0.8
221.06587	2.1
229.01398	0.8
251.07640	3.7
431.15524	41.8
432.15973	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	430.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00257	1.4
59.01374	9.0
61.98833	100.0
71.54890	1.9
73.19555	1.1
75.12478	1.2
82.44014	1.5
96.96017	3.3
99.92561	1.5
430.26706	6.7
431.27933	7.7
440.23996	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82386	1.1
55.01878	1.5
58.78761	1.1
59.01383	45.1
59.01688	2.2
60.54136	1.0
61.98830	23.8
69.03445	1.2
69.83482	3.0
69.83871	3.1
71.01385	44.1
72.99306	2.5
73.02952	13.7
75.32519	1.1
81.50307	1.2
83.01388	2.3
85.02944	8.3
87.00876	3.8
87.44042	1.1
89.02447	74.3
93.03468	14.0
95.01397	2.8
96.95991	1.6
98.20566	1.4
99.00870	16.2
101.02448	25.3
108.02177	61.6
109.02964	54.9
113.02463	8.9
119.03510	6.7
119.04997	11.3
121.02951	1.8
123.00891	1.4
123.04538	1.3
125.02458	3.8
131.03494	7.0
131.39549	1.1
133.05101	10.1
137.02443	36.4
137.06050	2.1
143.03548	2.0
149.04564	16.2
151.04016	2.3
152.01157	79.9
153.01942	52.2
161.04575	2.9
163.03984	2.2
165.01956	2.4
170.54340	1.2
191.05598	9.0
233.06783	1.5
233.34439	1.1
249.91479	1.1
297.06100	7.4
299.11276	5.4
315.07199	15.9
387.09329	9.3
431.11859	100.0
431.16180	42.6
432.11234	9.0
432.16699	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	431.1345
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
51.89705	0.3
57.03447	0.6
59.01380	10.9
60.82722	0.3
60.99305	1.7
67.01889	5.0
68.20509	0.4
69.03461	1.2
69.43495	2.7
71.01382	3.2
73.02950	0.7
75.00864	0.5
81.03463	1.1
83.05040	1.1
85.02950	10.2
87.00885	8.5
89.02441	0.6
93.03462	32.8
94.03813	0.6
98.20707	0.7
99.00883	0.5
99.04532	1.0
101.02431	0.7
109.02963	1.3
111.04528	6.0
113.02447	0.8
115.04018	0.5
119.03446	0.4
127.04040	1.9
129.01929	1.1
143.03500	0.6
153.01860	0.3
155.03481	1.3
161.04626	0.5
169.10318	0.4
171.03040	0.5
171.04558	1.0
172.05336	2.2
173.04547	26.7
174.04869	0.7
183.04630	0.5
184.05266	0.6
187.07651	0.8
191.05612	100.0
192.05917	3.2
198.06805	0.7
213.09204	9.1
213.11169	0.7
214.09435	0.5
224.06892	0.5
231.10249	8.8
231.12477	0.7
232.10590	0.5
241.01366	0.7
245.00992	0.3
256.07416	0.4
257.08191	31.9
258.08566	1.7
270.01691	1.0
271.02390	0.5
298.01331	0.5
431.06982	1.1
431.13431	23.5
432.13770	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98847	4.9
69.95869	2.6
69.96277	1.8
71.01382	0.9
71.42100	0.9
89.02441	1.4
96.96010	1.5
101.02419	1.0
117.82264	0.9
162.45026	1.1
369.13660	1.4
429.30432	11.5
430.30322	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3007
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
59.01383	1.8
64.30109	0.2
71.01391	0.2
85.55157	0.2
87.58765	0.2
89.90570	0.2
92.65953	0.2
98.19885	0.6
101.06100	0.3
140.85655	0.2
177.86691	0.2
327.26938	0.4
355.26108	0.3
355.30170	0.4
404.97189	0.2
411.28918	0.5
414.07925	0.2
429.30069	100.0
430.30414	12.8
447.31091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3007
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
52.59613	0.1
53.89211	0.1
59.01381	0.9
69.85487	0.5
71.01363	0.2
79.09955	0.2
83.83923	0.1
86.03682	0.1
98.20657	0.1
101.06115	0.2
119.24549	0.1
327.26816	0.3
346.53510	0.2
355.26093	0.2
355.30161	0.2
411.28995	0.8
429.30060	100.0
430.30380	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	429.3008
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
57.03429	0.4
59.01379	5.5
61.98816	0.9
71.01383	0.6
71.55997	0.4
85.06602	0.4
85.94839	0.3
88.96590	0.2
89.02455	0.3
132.28413	0.3
194.07440	0.2
215.93622	0.2
232.49062	0.2
342.75497	0.3
353.24893	0.4
355.26389	6.1
355.30298	0.4
356.26868	0.3
367.30145	0.8
369.24347	1.1
381.28021	0.5
383.29523	5.4
384.30093	0.5
385.31271	0.3
399.28647	0.3
409.84637	0.3
411.29065	1.8
412.29385	0.3
429.30081	100.0
430.30408	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3006
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
53.84737	0.4
57.03450	3.3
59.01377	26.3
60.01695	0.6
61.98817	0.7
71.01387	0.8
76.55705	0.4
83.05032	2.3
89.02416	0.7
96.21649	0.4
101.02446	0.7
113.03983	0.4
116.12001	0.4
295.22784	1.7
332.16367	0.5
339.26892	0.7
367.30063	3.0
381.27914	1.3
385.27328	0.6
399.28836	1.9
411.29050	3.2
412.29437	0.4
429.30078	100.0
430.30402	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	430.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.2
61.98831	100.0
63.77472	1.5
67.06593	1.7
78.95909	2.8
96.95998	2.8
110.93929	2.0
121.81445	1.9
131.49113	1.8
180.46454	1.8
206.19696	2.1
263.20193	15.0
430.26190	6.2
430.30493	9.8
431.27188	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	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01701	0.9
64.06730	0.7
65.15765	0.7
67.06532	0.8
67.06866	0.6
70.30280	2.3
86.47533	0.7
91.04016	1.2
96.15190	0.7
98.20491	0.8
195.13963	1.0
197.59822	0.8
295.22797	11.5
295.25854	1.0
296.23224	1.3
360.00250	0.8
369.24603	1.1
385.27609	2.2
405.61789	0.7
429.26239	2.9
429.31216	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01707	0.8
69.03493	0.5
69.31370	3.7
71.01367	0.6
84.37592	0.5
116.99854	0.4
270.55704	0.5
314.37021	0.4
338.31598	0.5
369.14792	0.6
381.86264	0.5
429.30048	32.8
430.30289	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	429.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92834	0.6
59.01382	100.0
60.01712	1.0
70.77516	0.7
70.77854	1.2
77.16415	0.4
89.65576	0.4
116.17810	0.5
199.35915	0.5
367.30228	1.8
383.29465	1.1
411.29025	3.1
416.04330	0.6
417.89072	0.6
429.30127	31.1
430.30225	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	429.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.2
59.64549	0.6
63.37299	0.6
65.01437	0.5
65.03965	4.6
67.01878	2.5
69.44041	1.7
69.44454	2.4
71.01385	3.7
73.02953	1.1
73.48256	0.5
76.51406	0.5
79.95741	4.1
80.96510	2.6
85.02956	1.6
87.00915	1.1
89.02460	1.9
91.01899	4.1
93.03468	1.5
95.95245	0.7
96.96011	92.9
98.95592	2.5
101.02462	3.0
109.02953	31.7
112.98558	0.8
113.02438	1.7
119.03523	0.9
122.97585	1.2
124.63489	0.6
126.90395	0.6
135.00885	18.0
135.01903	0.9
135.04543	0.9
138.97057	0.9
143.03407	1.0
150.97073	1.4
152.98621	1.8
153.01938	97.0
154.02284	3.1
161.04533	0.9
164.77979	0.6
173.04536	1.1
180.98125	4.5
191.05603	5.2
229.04240	0.9
230.58199	0.7
241.00224	11.4
255.06595	1.1
297.06223	0.8
343.09290	1.1
381.46490	0.7
429.14398	100.0
430.14764	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	429.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.8
59.01111	2.2
59.01385	35.1
70.55332	5.3
71.01386	39.5
73.02943	15.2
83.01387	7.3
85.02963	17.4
87.00863	7.3
89.02451	9.3
96.96012	2.9
99.00880	6.9
101.02451	45.8
113.02440	16.9
131.03571	2.3
143.03418	2.3
159.03018	3.9
161.04556	24.7
165.55139	1.8
237.09805	88.0
238.10100	2.6
281.88452	1.9
369.14026	100.0
370.14294	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	429.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84473	0.1
58.99074	0.1
59.01385	0.9
73.02933	0.2
89.02441	0.2
98.20739	0.3
99.00879	0.2
99.92587	5.4
100.92696	0.2
100.93359	3.8
101.93399	0.2
115.92082	100.0
116.92093	3.8
116.92869	6.4
117.92546	0.2
132.92375	1.0
142.94402	0.3
172.95457	4.9
173.95563	0.2
174.00380	0.1
175.61580	0.2
211.49030	0.1
219.51617	0.1
243.37788	0.1
252.20439	0.2
255.23306	0.7
336.98685	0.1
355.15762	0.7
371.14963	0.4
381.17279	0.9
411.18518	0.3
429.19513	6.2
430.19473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2644
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
52.95828	0.3
57.03443	2.2
59.01382	3.1
60.99299	0.5
69.03436	0.8
70.92529	0.6
70.92875	0.2
71.01374	0.8
73.02934	0.3
73.74657	0.3
84.02165	0.3
86.88948	0.3
87.66550	0.3
88.70071	0.3
89.02462	0.3
96.96008	6.5
126.64956	0.3
176.62735	0.3
215.14301	0.4
226.87404	0.3
243.17561	0.3
271.16956	0.9
271.20590	0.6
275.57965	0.3
285.22177	0.5
287.19977	0.3
289.21799	0.3
297.53995	0.3
299.20041	0.7
309.22263	0.3
311.20380	0.5
311.23737	6.0
312.24084	0.6
313.21838	1.7
327.23215	0.5
353.21539	0.3
367.22687	5.5
367.26556	1.2
368.22919	0.3
369.24292	9.5
370.24673	1.1
383.22098	0.3
385.22876	0.5
385.27451	6.4
385.31998	0.6
386.27658	0.7
411.25592	0.6
429.26395	100.0
430.26672	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	429.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01382	3.6
61.98827	0.9
66.03568	0.4
71.01384	4.1
72.99294	0.5
73.02944	0.5
75.00874	0.8
79.95750	3.9
80.96500	1.4
83.01379	0.6
85.02951	5.8
87.00887	1.3
89.02441	1.6
93.03464	2.0
95.95253	1.1
96.96015	90.4
97.02979	0.5
98.20604	1.3
99.00874	2.2
101.02438	1.3
108.02224	0.5
109.02943	1.2
111.88857	0.5
113.02424	0.5
115.04028	0.9
129.01959	3.6
135.04509	3.6
136.04834	0.8
138.97072	1.1
145.02968	2.8
147.04530	0.6
147.89725	0.4
150.97052	0.5
152.01184	0.7
152.98651	1.1
153.01958	0.8
159.02966	0.4
161.02417	4.3
161.04480	0.5
162.02840	1.0
163.02829	0.6
163.04001	3.1
164.04321	0.7
168.98128	1.4
175.03996	2.0
176.98686	0.5
177.04048	7.1
180.98199	0.7
191.01750	0.5
191.05608	12.5
192.05986	2.3
193.01237	1.0
193.06079	2.2
194.99686	1.5
209.02750	2.9
210.03078	1.2
211.02211	5.8
211.44067	0.4
229.15591	0.5
235.00681	0.8
237.00369	1.8
241.00273	3.7
249.31030	0.5
255.01378	0.8
256.99741	39.9
258.00015	0.5
328.89883	0.4
351.63861	0.4
429.07288	17.9
429.14334	100.0
430.07498	1.2
430.14682	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	429.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90462	1.4
59.01381	100.0
62.12477	1.4
65.00320	1.6
68.99813	32.0
69.22559	8.1
69.22978	5.8
71.01387	17.6
73.02934	2.4
75.00868	2.2
82.82217	1.7
85.02949	3.9
89.02443	18.6
93.03436	2.4
95.01420	1.4
95.06869	1.4
96.95994	1.4
99.00882	8.8
101.02446	19.9
105.03445	2.1
113.02458	6.4
117.03468	47.2
119.03530	6.3
119.05040	4.2
123.04571	2.5
127.03994	2.2
133.02963	7.7
133.06596	5.0
134.18585	1.5
143.03482	1.7
145.02957	21.7
147.04515	1.9
149.02348	1.8
149.06111	1.6
161.02458	20.7
161.04477	2.0
162.03093	2.2
173.02444	2.2
173.04642	1.8
177.05565	48.7
178.05901	3.0
179.05598	3.8
189.01936	38.3
189.07112	2.1
190.02478	1.6
191.03806	1.9
191.05525	7.5
192.05818	1.8
193.04985	1.7
205.05040	38.0
205.06770	3.3
209.06177	1.9
217.06602	18.0
218.07222	2.9
219.08130	2.9
221.04414	10.5
229.06577	2.6
233.04416	25.1
234.06949	3.1
245.06082	16.2
246.06645	4.3
247.07646	3.6
249.05562	3.5
251.07158	1.8
255.06700	3.8
261.05585	6.7
261.09265	2.1
262.06155	1.9
263.07187	2.1
265.08682	2.8
273.05591	12.3
274.06085	2.7
275.07178	5.4
277.05109	4.2
277.08664	3.9
279.06592	3.0
279.10269	1.5
284.33472	2.0
289.05023	7.1
289.08310	2.9
291.06592	3.3
293.08313	2.7
297.13391	2.6
303.06674	4.5
305.08295	7.4
307.09729	4.9
310.19330	1.5
317.04565	20.2
319.06146	3.7
321.07672	12.7
321.11383	4.8
333.07602	10.8
335.09229	5.4
337.10873	7.1
347.05734	2.1
349.07132	51.8
349.11258	2.8
350.07574	4.2
351.08862	2.6
353.10242	6.4
365.10385	14.2
381.09799	11.4
382.10040	2.7
383.11633	1.9
391.11517	1.9
393.09790	6.9
397.09418	2.6
429.11935	65.3
429.17148	3.0
430.12225	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	429.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01382	3.6
61.98827	0.9
66.03568	0.4
71.01384	4.1
72.99294	0.5
73.02944	0.5
75.00874	0.8
79.95750	3.9
80.96500	1.4
83.01379	0.6
85.02951	5.8
87.00887	1.3
89.02441	1.6
93.03464	2.0
95.95253	1.1
96.96015	90.4
97.02979	0.5
98.20604	1.3
99.00874	2.2
101.02438	1.3
108.02224	0.5
109.02943	1.2
111.88857	0.5
113.02424	0.5
115.04028	0.9
129.01959	3.6
135.04509	3.6
136.04834	0.8
138.97072	1.1
145.02968	2.8
147.04530	0.6
147.89725	0.4
150.97052	0.5
152.01184	0.7
152.98651	1.1
153.01958	0.8
159.02966	0.4
161.02417	4.3
161.04480	0.5
162.02840	1.0
163.02829	0.6
163.04001	3.1
164.04321	0.7
168.98128	1.4
175.03996	2.0
176.98686	0.5
177.04048	7.1
180.98199	0.7
191.01750	0.5
191.05608	12.5
192.05986	2.3
193.01237	1.0
193.06079	2.2
194.99686	1.5
209.02750	2.9
210.03078	1.2
211.02211	5.8
211.44067	0.4
229.15591	0.5
235.00681	0.8
237.00369	1.8
241.00273	3.7
249.31030	0.5
255.01378	0.8
256.99741	39.9
258.00015	0.5
328.89883	0.4
351.63861	0.4
429.07288	17.9
429.14334	100.0
430.07498	1.2
430.14682	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	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	0.9
62.29096	0.7
64.28807	0.8
69.32658	2.0
69.33080	3.8
77.87331	0.6
91.04013	1.1
96.96004	0.8
141.87093	0.7
179.28201	0.7
222.67786	0.6
235.17047	4.2
275.20160	8.0
276.20630	0.7
293.21423	4.4
309.24380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2852
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
52.76109	0.3
59.01374	1.1
63.62331	0.2
66.52140	0.2
70.10906	0.2
70.11235	0.9
70.97750	0.2
71.01379	0.3
88.10484	0.2
103.98240	0.2
109.58871	0.2
128.51718	0.2
134.87813	0.2
147.29073	0.2
311.23895	0.4
325.25391	0.3
353.24719	0.5
355.26364	0.7
367.26529	0.3
377.31320	0.3
383.29520	0.5
397.27469	2.0
398.27615	0.4
409.27429	0.6
427.28519	100.0
428.28857	11.8
428.34695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01701	0.6
60.67667	0.4
69.35633	2.6
73.45327	0.4
89.02436	0.7
91.04012	2.9
123.88155	0.4
180.50134	0.4
195.13850	0.7
223.13542	0.5
275.20239	1.3
293.21222	14.5
294.21744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33355	0.2
52.87638	0.2
59.01381	100.0
60.01713	1.0
61.98823	0.4
69.23691	2.2
70.41687	0.3
70.78789	0.2
71.23146	0.2
99.79474	0.2
109.93866	0.2
127.39352	0.2
174.16112	0.2
275.19977	0.2
337.73285	0.2
375.88919	0.3
425.27417	0.5
427.28531	1.6
428.29105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31963	0.3
54.56219	0.3
59.01379	100.0
60.01713	1.0
61.98795	0.3
63.35377	0.2
69.57895	1.3
69.58311	0.5
73.14335	0.2
84.73518	0.3
104.80454	0.3
129.24734	0.2
129.65338	0.3
146.69041	0.3
147.41045	0.3
195.65604	0.2
293.21283	0.7
367.13785	1.0
427.28711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.2
56.12874	0.9
57.03437	1.8
59.01382	34.9
59.01677	2.0
63.73415	0.9
69.54693	2.9
69.55104	3.1
71.01386	35.9
73.02943	12.6
83.01388	7.9
84.88960	1.1
85.02956	18.8
86.77266	0.9
88.98891	1.0
89.02442	6.6
95.01373	2.4
98.20607	2.0
99.00865	6.6
101.02449	34.6
102.02862	1.0
111.00897	1.0
113.02464	16.7
119.03451	1.2
125.02411	1.2
129.02023	1.2
131.03467	1.9
135.04507	1.8
143.03514	1.7
159.03000	2.9
159.51996	0.9
161.04546	14.8
175.03973	1.4
191.05702	4.9
209.02774	4.1
235.00771	1.4
235.11874	100.0
236.12196	4.6
248.69374	1.0
283.69611	1.0
294.07645	1.0
367.16080	78.3
368.16306	4.4
385.48459	1.1
427.07169	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	427.101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01384	26.0
61.98821	1.2
70.39172	1.3
71.01386	13.2
81.03450	2.2
83.01381	1.3
83.05043	3.3
85.02976	6.4
85.23510	0.8
87.00854	1.2
89.01926	1.2
89.02454	15.3
95.01416	1.0
97.02953	1.1
98.20645	0.8
101.02443	7.7
101.36091	1.0
107.05033	2.2
109.02972	4.9
113.02426	4.5
119.03499	4.8
121.06585	6.7
121.30938	0.8
123.04501	3.6
123.19579	0.8
127.03999	5.5
128.07742	0.8
131.05028	1.2
149.06088	7.7
167.03473	1.8
167.07133	9.1
174.57602	0.8
185.08200	9.7
191.05611	1.3
193.05052	1.4
209.02704	1.0
211.06107	1.9
216.45769	0.7
229.07091	5.1
304.39594	0.8
351.31921	0.8
391.12460	100.0
392.12848	5.8
427.07410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
57.03436	0.9
57.65317	0.4
59.01383	13.6
60.99298	0.5
61.98834	2.1
67.01878	0.8
69.03448	0.7
69.46257	1.5
69.46691	1.8
71.01019	0.7
71.01386	11.0
72.99295	0.4
73.02605	0.5
73.02950	5.5
73.06558	0.5
75.00870	0.6
83.01392	2.9
83.05028	0.6
85.02965	8.3
87.00877	2.1
88.98819	3.1
89.02435	2.2
93.03460	4.8
95.01376	0.8
95.95206	0.4
96.96021	4.3
97.02951	0.5
98.19912	0.9
99.00883	2.9
101.01795	0.8
101.02454	14.7
109.02946	0.9
111.00894	0.9
111.04509	1.4
113.01830	0.5
113.02464	5.4
119.05045	0.8
125.02438	0.4
127.04053	0.5
129.01923	1.2
134.03729	0.5
135.04535	32.9
136.04836	1.1
137.02449	0.9
143.03569	0.5
145.02902	0.9
147.04524	2.9
149.06065	0.8
155.03490	1.2
157.02986	0.9
158.03740	0.8
159.02974	1.0
159.04340	0.4
161.02464	6.9
161.04536	4.9
162.03107	1.0
163.04018	23.1
164.04391	0.9
173.04541	2.6
175.04004	16.2
176.04671	1.2
179.03493	0.5
181.03252	1.6
191.01772	11.3
191.03522	0.9
191.05621	16.8
191.07372	0.9
192.02158	0.5
192.05969	1.4
192.99640	0.7
208.03810	0.7
208.42909	0.4
209.02782	100.0
210.03094	4.7
216.99612	0.5
224.57051	0.6
229.01457	1.4
235.00784	2.3
235.11871	39.6
236.12256	1.8
253.01762	31.2
254.02032	1.3
256.99762	0.5
367.16068	27.2
368.16293	2.4
383.07693	0.5
383.22772	0.5
427.07123	56.5
427.12650	9.3
427.62665	1.9
428.07474	4.6
428.12738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
57.03424	1.8
59.01376	15.1
59.18383	1.1
59.23692	1.1
61.98538	1.7
61.98831	21.2
69.55743	5.4
71.01373	6.3
72.99300	1.3
76.90340	1.2
78.20370	1.0
79.95723	3.6
80.96514	1.3
85.02934	3.7
87.00853	1.3
89.02428	5.3
93.03448	2.4
95.95181	1.4
96.96009	100.0
99.04521	1.3
101.02460	6.9
105.56879	1.1
113.02423	2.2
113.53473	1.1
119.03484	2.4
119.04998	1.3
120.99598	3.6
132.38135	1.2
135.04510	2.0
147.47929	1.6
161.04543	3.7
163.04012	2.7
163.11249	1.6
173.04521	2.1
176.07317	1.1
177.33116	1.4
180.98149	1.8
185.03830	59.0
185.53987	7.4
191.05623	14.9
192.05923	1.6
203.12827	2.8
224.06902	3.2
241.00128	3.6
273.11624	9.2
344.12949	1.5
362.14166	3.1
387.12152	1.8
387.16583	19.6
388.16934	2.4
389.17398	2.5
425.11121	50.0
425.19711	6.9
426.11230	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	427.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51967	0.4
55.45186	0.5
59.01375	1.1
60.99262	0.7
61.68176	0.5
67.01883	1.5
70.29672	0.5
70.30018	2.0
71.01396	1.4
81.03468	0.6
83.05047	0.6
85.02961	5.0
87.00881	5.3
88.00388	0.9
93.03455	9.2
96.96011	1.5
101.02435	0.5
109.02969	1.0
111.04524	2.2
127.04018	1.9
129.01978	0.5
135.04518	15.4
145.02861	1.0
147.04500	4.8
155.03505	0.7
158.03662	0.7
161.02440	23.2
162.02902	1.2
163.04008	12.4
164.04276	0.7
173.02357	1.1
173.04543	3.7
174.03230	1.4
175.03992	12.5
176.04492	1.1
181.03345	1.6
187.07613	0.7
191.01840	6.8
191.05602	65.7
192.05904	2.7
192.99666	1.5
201.01852	1.4
209.02760	56.0
210.03064	2.6
216.99579	2.1
224.06921	2.7
224.57060	4.0
235.00696	17.3
236.00909	0.7
253.01764	7.8
325.28748	0.7
337.73245	0.5
427.06998	100.0
428.07425	9.2
428.13019	1.0
432.56482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84129	2.7
57.03436	4.1
58.00594	3.4
59.01383	100.0
60.23109	2.7
61.98826	19.3
67.39493	2.8
67.69743	2.8
68.14701	3.0
69.41922	9.0
69.42344	13.0
71.01385	42.5
72.99326	3.8
73.02950	11.8
75.00845	3.4
75.19798	3.8
83.01381	6.0
85.02943	17.7
87.00898	7.0
89.02449	32.6
90.10268	3.1
93.03460	8.8
95.01378	4.1
96.96011	52.6
96.96957	6.8
98.95583	6.0
99.00887	3.5
99.24866	2.7
101.02444	29.8
101.11219	2.8
111.00901	3.2
113.02416	17.6
119.03488	9.9
128.03545	3.8
131.03465	4.7
143.03568	3.0
161.04538	12.0
163.11276	16.0
165.05515	4.5
171.10236	6.7
173.04552	6.3
179.05621	3.8
191.05608	29.8
192.54744	3.1
201.11334	8.8
201.75896	3.2
207.06601	5.0
223.26538	3.9
229.01387	3.0
241.00301	4.1
275.59714	2.9
291.14572	12.2
307.07681	5.1
352.25031	3.9
363.16605	33.2
381.17825	4.7
387.16599	48.9
388.16846	3.8
423.09616	10.9
423.18179	49.0
424.18658	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	423.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60606	0.7
58.00572	1.5
59.01378	100.0
60.01735	1.1
61.98821	3.3
68.63363	0.7
71.01382	31.4
71.54312	1.4
72.99306	3.1
73.02948	1.9
73.54410	0.7
74.99081	0.9
80.73738	0.7
83.01398	1.0
85.02954	4.7
87.00870	2.6
89.02441	47.1
93.03452	2.8
95.01387	2.1
96.96006	3.4
96.96967	1.2
98.95592	0.8
101.02441	18.1
107.05029	1.8
113.02450	14.7
114.02785	0.9
116.92834	1.9
119.03501	19.7
119.04926	1.3
120.99588	0.8
125.02399	0.9
125.07124	0.9
131.03496	2.5
135.04524	1.1
137.06012	0.8
143.03503	4.0
145.03021	0.8
149.04547	2.5
160.54495	0.8
161.04570	8.5
163.03993	1.7
173.04488	0.9
176.45647	0.7
179.05606	38.5
180.05907	1.0
181.05014	3.2
191.05597	2.8
210.30815	0.8
272.44788	0.8
343.10150	2.1
345.15659	4.2
363.16580	1.4
387.09302	2.0
423.05991	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29261	25.2
63.37572	23.1
68.76590	24.4
70.94381	46.4
70.94734	47.5
80.96516	100.0
81.47812	27.2
98.24664	25.0
109.57791	22.9
227.98207	24.3
371.01764	31.4
434.88858	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	422.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05846	0.3
59.01380	0.6
61.98833	100.0
67.51366	0.3
69.37139	3.0
70.49624	0.3
77.53887	0.3
81.93542	0.4
84.23869	0.3
96.35369	0.4
96.96025	0.5
98.20678	0.7
108.25996	0.3
132.98489	0.4
153.22406	0.3
163.11298	0.5
220.00516	0.4
242.99107	0.4
255.78940	0.5
260.23862	0.4
290.77295	0.4
305.15787	0.3
327.97839	0.4
359.28113	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97477	2.3
59.01383	79.9
61.98830	5.6
68.20533	2.2
69.42682	18.9
71.01392	28.9
73.02962	3.2
85.02953	10.3
87.00877	6.0
89.02444	30.2
93.03470	2.5
96.88757	2.2
96.96009	9.7
98.19890	4.2
99.04538	3.7
101.02433	18.5
103.84705	2.8
113.02480	12.5
119.03503	12.1
126.93670	2.3
143.03497	5.9
146.08217	8.1
161.04599	7.3
163.11287	20.8
171.10254	4.3
179.05606	9.0
191.05629	19.4
197.54236	2.7
201.11375	5.0
223.06201	3.4
279.11938	4.4
291.14798	3.4
318.00818	2.5
363.16632	44.7
364.17020	4.8
386.57886	2.4
387.16611	100.0
388.17065	8.3
423.10446	5.8
423.18112	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	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68132	0.3
69.97095	0.4
69.97471	0.5
73.51430	0.3
78.95901	4.1
85.84650	0.3
110.98526	2.9
114.37410	0.3
152.99565	0.5
167.01080	1.3
185.02216	2.7
243.53616	0.3
253.21706	100.0
254.22050	5.8
421.23566	8.0
421.31845	0.4
422.23654	0.6
440.75940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24345	0.3
56.12080	0.4
57.95335	0.4
69.67715	2.2
80.91676	0.8
110.98524	0.6
163.11281	100.0
164.11624	4.2
185.02257	0.7
339.23270	72.9
340.23557	7.3
363.18079	0.5
379.21365	0.9
421.22470	1.5
438.07654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.4
57.52475	0.6
58.02973	2.1
59.01384	4.9
69.36201	5.0
70.02979	8.9
71.01387	1.8
71.05030	11.7
76.02319	0.5
85.02954	0.7
87.05643	4.6
89.02448	1.5
89.03515	0.6
96.96018	1.4
98.20664	1.1
99.04523	5.3
101.02461	1.2
115.05132	1.8
116.07176	2.2
129.05647	1.4
130.03314	6.4
146.08237	70.1
147.05983	3.6
147.08571	2.2
191.05629	2.6
217.11940	16.8
223.06113	1.0
229.01440	0.8
277.12274	100.0
278.12534	5.4
307.13364	0.6
319.13342	1.0
361.18643	0.7
377.18372	0.8
421.16183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86333	0.5
57.03453	0.9
58.00593	0.9
59.01379	100.0
60.01708	1.0
61.98836	4.6
68.99819	1.7
71.01381	22.8
71.17971	0.5
71.54092	0.7
72.99312	1.5
73.02964	0.9
73.58291	0.5
77.45045	0.5
78.95928	1.1
83.01373	0.6
85.02941	3.9
87.00886	1.6
89.02445	33.5
93.03514	0.6
95.01403	1.7
96.96019	5.6
96.96960	0.5
97.02934	0.6
101.02442	16.6
109.02995	1.2
113.02456	10.7
117.57758	0.6
119.03504	15.1
123.04446	0.6
125.02468	1.0
127.04012	1.2
131.03476	1.5
135.04539	0.8
143.03488	3.5
143.04500	0.6
147.46693	0.5
149.04601	1.0
153.00194	0.6
153.05489	0.5
155.03481	0.7
161.04570	5.7
171.01241	1.3
179.05611	20.3
180.05972	0.8
181.08714	0.5
191.05664	1.7
197.04599	1.4
213.07730	2.4
238.08948	0.5
259.08237	1.0
321.21451	0.5
361.15051	2.2
375.13138	2.3
421.13104	1.6
421.17563	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01381	7.6
60.01696	0.6
61.98832	8.7
63.76440	0.4
63.96240	0.9
69.03448	0.6
70.24858	1.0
71.01382	10.6
72.99347	0.6
73.02934	2.4
74.02490	0.6
78.98588	5.9
79.95737	8.0
80.96519	61.1
81.03462	1.4
82.95408	1.1
83.01398	0.9
85.02965	4.3
87.00890	2.8
89.02461	2.6
93.03448	1.4
94.98091	14.0
95.01388	0.8
95.21031	0.4
96.96017	7.0
97.02943	1.5
99.00899	1.0
99.04548	0.5
101.02452	3.8
106.98098	3.1
113.02477	1.9
118.98083	1.6
119.03528	1.1
121.02962	9.6
122.97599	3.0
125.02466	3.2
127.04033	0.8
130.52232	0.5
134.97594	3.9
135.04503	0.5
136.99155	1.3
143.04572	0.5
146.97542	0.4
148.99144	6.7
150.03209	0.4
152.98637	6.1
161.04558	0.8
164.98637	10.5
176.25723	0.4
181.08711	0.5
188.98573	0.4
191.05586	3.4
192.70241	0.4
197.08162	1.3
198.08598	0.8
199.09816	1.1
206.99701	2.2
213.89708	0.4
223.06084	0.6
225.00735	14.1
241.00314	2.1
245.60144	0.4
259.15536	0.4
272.08865	0.5
299.04419	6.5
300.04770	0.5
306.07663	1.5
338.74219	0.4
361.15048	1.2
415.10181	0.4
420.61996	0.7
421.08090	100.0
422.08414	7.3
422.21249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	13.3
61.98823	3.9
69.96940	10.3
71.01358	6.9
72.19581	2.9
79.95753	4.0
85.02930	7.2
93.03433	3.0
96.96008	98.3
112.93030	4.0
127.62103	2.8
135.82381	2.9
138.97096	2.9
143.85185	3.9
155.10762	6.9
173.04541	3.5
179.03418	3.1
191.05615	12.7
216.91451	3.0
241.00227	27.4
259.11780	8.4
400.98129	3.5
421.03687	8.1
421.07938	14.9
421.16241	100.0
422.16479	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61839	6.6
59.01387	65.4
62.34903	8.6
69.46563	22.3
69.46982	35.3
71.01382	15.0
85.02927	10.7
88.47697	7.7
95.99494	7.5
111.00880	100.0
112.98569	9.1
191.05609	14.3
197.08084	12.8
359.13455	12.4
414.29358	8.2
419.24146	11.5
427.33496	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	419.2438
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
51.18751	0.2
52.11895	0.2
59.01369	1.4
63.26312	0.2
70.39809	0.3
70.40152	0.6
71.01378	0.9
85.02936	0.3
85.77576	0.2
92.72560	0.2
93.03465	1.4
98.19955	0.3
111.00868	1.7
133.29959	0.2
154.68588	0.2
191.05527	0.7
191.31306	0.2
197.08144	0.7
212.83856	0.2
251.16515	0.6
283.69266	0.3
311.23831	0.3
331.26373	1.0
355.22763	9.0
356.23080	1.0
357.24319	36.7
358.24585	4.0
359.13522	0.4
371.21866	0.3
375.25378	18.2
376.25763	2.0
389.23532	0.3
401.23386	2.9
402.23627	0.4
402.97662	0.2
419.24347	100.0
420.24695	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	419.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76280	0.1
57.03433	0.1
59.01154	0.1
59.01383	0.9
71.01386	0.7
71.43182	0.2
73.02925	0.2
73.05688	0.1
83.21641	0.1
85.02961	0.9
89.02429	0.2
101.02446	3.0
113.02474	0.1
120.24120	0.1
131.03505	0.8
140.24316	0.1
163.06123	4.2
171.63914	0.1
181.07207	0.1
237.22270	0.2
255.23288	100.0
256.23621	7.4
303.89340	0.1
382.18677	0.1
418.09213	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	419.135
Annotation	Rhaponticin
Peak:m/z	Relative Intensity
57.03435	0.3
57.90298	0.2
59.01382	1.9
60.99316	0.2
61.98823	0.4
62.83144	0.2
67.01892	0.5
69.03455	0.3
71.01380	1.9
73.02953	0.4
74.38159	0.2
81.03455	0.3
83.05039	0.3
85.02955	8.4
87.00890	1.7
89.02442	0.4
93.03463	3.7
96.96010	0.3
99.04524	0.4
101.02422	0.4
102.83672	0.2
102.95939	0.2
108.02203	0.2
109.02950	0.7
111.00886	1.1
111.04524	1.1
112.98830	0.4
113.02434	0.3
116.80680	0.2
117.46839	0.2
127.04028	2.1
133.02928	0.2
134.03740	0.3
155.03542	0.3
158.91722	0.2
161.02464	0.4
161.04532	0.3
161.53532	0.2
171.02989	0.5
172.05273	0.5
173.00926	0.2
173.04559	1.6
175.03989	0.3
177.01949	0.7
179.35918	0.2
186.06786	0.4
191.05615	100.0
192.05981	3.1
197.08147	0.6
199.07568	0.4
201.09164	1.1
209.11948	0.2
211.04074	0.4
212.04819	0.6
227.07191	1.0
245.08214	0.7
293.02637	0.2
294.12772	0.2
359.13461	0.5
403.15256	0.2
419.13315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1562
Annotation	Lamioside
Peak:m/z	Relative Intensity
57.03446	2.3
59.01385	97.6
60.01704	0.8
61.98832	3.3
65.03964	1.1
68.59380	0.7
71.01391	16.2
71.54390	0.7
72.99299	1.2
73.02935	1.2
75.42294	0.8
83.01428	0.9
83.05025	1.5
84.60153	0.7
85.02955	4.0
87.00887	1.1
89.02460	7.5
93.03467	2.5
96.96027	1.4
101.02439	5.3
105.07096	1.6
109.02956	0.9
111.04498	1.4
113.02480	4.3
118.98093	3.2
119.03512	3.3
120.99651	1.2
123.08159	1.2
127.04069	1.6
135.04565	1.6
135.08142	3.8
149.04547	0.8
153.09254	1.6
161.02458	1.3
161.04585	2.4
165.09258	0.8
173.04643	1.3
179.03653	0.8
179.05606	1.9
179.07066	1.7
190.29294	0.8
191.05621	7.3
197.08203	100.0
198.08580	4.2
227.52037	0.8
239.09129	1.0
324.86240	0.8
359.13477	6.6
419.10284	1.5
419.15274	1.5
420.11163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83586	0.2
55.08542	0.2
57.03440	0.4
59.01372	2.1
60.99317	0.2
61.98841	0.4
67.01891	0.4
69.03470	0.2
69.59811	1.0
69.60446	0.1
71.01381	1.7
72.99349	0.2
73.02948	0.4
74.43086	0.2
77.79411	0.1
80.90472	0.2
81.03455	0.4
83.05024	0.3
85.02950	8.5
86.03297	0.2
87.00864	2.2
89.02438	0.4
93.02871	0.2
93.03460	4.0
93.34116	0.2
96.96000	0.4
97.26907	0.2
98.20717	0.2
99.00856	0.3
99.04507	0.4
101.02432	0.4
109.02946	0.9
111.00871	1.0
111.04526	1.4
112.01328	0.2
112.98792	0.2
113.02460	0.3
118.23244	0.1
123.48100	0.1
125.02416	0.2
127.04015	2.2
129.01917	0.2
129.05563	0.2
132.65865	0.1
133.02939	0.2
135.04491	0.3
137.02409	0.2
153.02040	0.2
155.03535	0.3
159.04384	0.3
161.02415	0.6
170.06990	0.2
171.02998	0.6
172.05270	0.7
173.00992	0.3
173.04529	1.5
177.02052	0.3
179.03589	0.4
186.06822	0.2
191.05606	100.0
192.05948	3.3
195.04460	0.2
197.08162	0.7
199.07674	0.4
201.09247	1.3
212.04837	0.6
227.07124	1.1
245.08246	0.7
269.61847	0.2
287.34155	0.2
314.93552	0.2
333.85886	0.1
339.13873	0.2
358.57913	0.2
359.13559	0.3
391.54062	0.2
419.13196	0.5
419.26797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.09800	0.6
60.01727	0.7
71.01370	0.9
74.87902	0.4
85.02969	1.1
88.98801	0.8
90.30013	0.6
96.96012	1.4
101.02483	0.8
110.41882	0.6
111.00880	9.7
113.02470	0.6
119.58353	0.6
128.08728	0.5
135.04607	0.6
169.90555	0.6
173.00909	0.8
178.99982	0.6
191.05550	1.2
193.70242	0.7
224.12846	0.6
267.69305	0.6
293.13959	0.6
342.15652	0.6
396.21793	0.9
399.10724	0.8
417.11673	1.2
417.27258	0.8
437.99127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71349	1.0
59.01381	100.0
67.01646	1.1
69.82509	5.9
79.12272	1.0
92.10876	1.0
98.20579	1.6
114.28312	1.0
118.96108	1.0
155.48518	1.1
168.75858	1.1
233.10013	1.1
235.97153	1.1
276.32379	1.1
398.13300	1.1
417.21112	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1194
Annotation	Sesamoside
Peak:m/z	Relative Intensity
50.32581	0.7
57.67134	0.6
59.01379	26.3
61.98818	1.9
67.01879	4.8
68.99817	29.6
71.01379	24.8
71.08147	0.6
71.55427	0.9
72.99307	1.2
73.02959	1.5
83.01383	1.3
85.02939	5.4
87.00909	0.9
89.02448	7.9
93.02863	1.5
93.03454	22.6
95.01401	2.1
96.96004	1.5
97.03006	0.9
99.00887	0.8
101.02441	67.2
102.02769	1.0
105.07096	1.9
107.05014	5.0
109.02945	1.9
111.00869	0.8
111.04523	3.3
113.02437	4.5
116.76231	0.7
117.03458	2.3
118.98077	1.4
119.01382	0.7
119.03488	2.7
119.05029	2.0
121.02969	2.7
121.06591	3.6
123.04517	1.1
123.08134	0.6
127.04018	12.1
133.02972	1.2
135.04517	6.4
136.01669	1.0
137.02437	14.8
137.06058	0.9
145.02998	0.7
149.06102	2.1
151.04010	18.0
153.05554	2.1
155.03487	10.2
156.77301	0.7
161.02440	3.3
161.04526	1.6
163.03992	6.0
169.05013	0.9
177.05589	6.3
179.03532	0.7
179.05669	0.9
179.07129	1.4
181.05022	1.4
189.01974	1.7
191.05595	2.6
193.08658	1.1
194.05879	3.1
195.06625	13.2
197.08173	13.8
197.09872	1.0
207.02997	1.2
209.08182	2.0
213.07614	1.9
221.04568	4.6
239.05644	4.1
257.06662	4.7
323.07733	3.8
343.10236	1.6
357.11996	1.7
359.13403	7.1
383.09634	1.0
387.09277	0.8
401.10852	13.9
402.11349	0.8
419.11926	100.0
420.12289	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80533	0.9
55.01875	2.6
57.03440	3.2
59.01381	100.0
61.98833	33.8
70.86459	2.6
71.01384	62.7
72.99302	1.9
73.02951	15.6
74.02456	1.5
75.00863	1.3
75.84911	1.0
83.01408	6.8
85.02955	27.5
87.00882	3.0
88.76876	1.0
89.02444	5.9
93.03468	3.5
94.35690	0.9
95.01397	6.1
96.96014	4.1
97.02946	2.1
99.00886	8.9
101.02444	34.7
108.02165	1.3
111.08120	6.0
113.02449	28.0
121.02953	11.0
125.02472	2.1
132.63689	1.1
135.04543	4.0
139.07654	40.3
139.08736	2.1
140.08023	1.4
143.03531	5.9
159.02989	8.1
161.04558	86.1
162.04932	2.1
173.04549	2.4
191.05605	16.0
192.05992	2.2
195.10277	8.4
205.03552	1.8
265.73697	1.2
338.13843	1.1
357.15530	36.3
358.15915	4.3
417.13333	2.3
417.18423	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
58.00580	1.0
59.01384	100.0
60.01736	1.2
61.98834	12.4
69.75886	1.2
69.76260	3.2
71.01387	25.6
72.71566	0.5
72.99320	1.3
73.02964	3.6
74.02483	0.8
74.60036	0.6
75.00876	0.9
83.01392	1.9
85.02959	7.7
87.00892	2.5
89.02451	22.7
93.03485	2.4
95.01383	1.0
96.96010	4.5
99.00903	1.1
101.02457	15.8
104.03484	0.8
108.14954	0.6
113.02458	12.7
116.07194	0.7
118.98116	1.2
119.03513	9.6
123.04565	2.0
125.02459	0.6
125.21790	0.6
131.03554	1.2
133.03024	0.6
143.03551	2.8
145.02988	1.0
149.04553	0.7
155.12001	0.9
159.03035	1.2
161.02531	1.0
161.04573	19.1
161.05875	1.1
169.03860	0.6
173.04617	2.5
177.09201	6.6
177.88991	0.7
179.05617	6.9
185.03799	1.0
189.02026	1.3
189.91185	0.5
191.05623	10.9
191.56839	0.6
192.05960	1.8
192.08713	0.7
195.10330	1.7
199.47691	0.6
221.04610	1.1
229.39606	0.6
325.22711	1.1
347.14395	0.6
357.15588	30.6
358.16040	1.7
402.71048	0.7
417.12656	1.2
417.17941	2.4
417.23785	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53725	0.7
55.61455	0.7
57.03421	0.8
58.00587	1.8
59.01376	74.1
60.01708	0.9
61.98814	2.4
63.96949	0.8
68.99808	1.2
69.03452	1.9
69.54203	4.4
71.01379	50.7
72.01731	1.0
72.99303	2.8
73.02944	13.4
75.00883	1.2
83.01375	1.6
85.02946	6.6
86.20137	0.7
87.00867	1.6
88.95695	0.7
89.02443	100.0
93.03476	1.6
96.95987	1.7
97.02966	1.0
98.19894	1.6
99.00261	1.4
99.00881	18.8
101.02437	39.3
103.05524	2.7
105.03415	0.9
107.05074	0.9
109.02946	1.9
113.02464	9.0
115.05584	0.9
119.03485	4.1
125.02441	2.6
131.03503	17.7
133.02959	2.7
137.02432	1.2
143.03493	3.3
149.04556	70.5
150.04832	1.3
161.02417	2.8
161.04512	3.9
173.04561	1.4
174.05098	0.9
177.09189	1.0
179.03447	0.8
181.04994	0.8
191.05608	24.1
192.05870	0.9
193.05045	1.2
194.09464	2.1
195.06631	8.1
195.10205	2.0
211.06110	1.7
221.06641	5.4
222.07149	0.9
237.04008	1.1
242.57916	0.9
251.07721	3.9
255.05005	1.1
281.08881	0.9
293.08780	1.9
299.04703	0.9
311.09879	4.1
320.84381	1.0
417.10132	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	417.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	3.5
59.01108	3.9
59.01380	46.2
63.47932	3.3
65.06264	3.3
67.01889	31.4
68.99812	36.4
69.03456	4.2
69.82217	14.8
71.01376	55.3
72.99306	40.0
73.02935	12.3
75.00873	16.1
75.37572	3.7
77.87454	2.8
81.03445	4.3
83.01373	4.8
83.05006	4.4
85.02950	22.9
87.00876	60.3
89.02440	36.0
93.03443	10.8
95.01369	6.2
95.05003	3.4
98.19923	3.8
99.00871	19.4
99.04507	8.0
101.01790	5.9
101.02436	100.0
105.01935	49.8
105.03468	5.1
107.05036	5.8
109.02953	24.4
111.00839	12.2
113.02452	32.9
117.03471	4.3
118.98022	4.3
119.03487	11.0
119.05045	6.7
120.03747	3.3
121.02950	19.3
123.04512	14.9
125.02380	3.6
127.04018	94.9
127.97445	3.0
128.04323	3.0
128.23854	2.9
133.02982	16.4
135.03024	4.1
135.04514	11.0
137.02426	7.1
139.03969	4.6
143.03464	10.3
145.03049	4.5
147.04526	7.8
149.02419	10.9
151.04033	7.3
153.01961	3.7
157.01433	6.6
161.02415	25.0
163.04034	5.6
165.01976	4.6
165.05464	4.9
173.02420	4.0
175.02498	42.6
177.01930	15.2
177.05627	3.7
179.03438	9.4
179.05632	5.1
181.05081	4.1
191.03474	16.0
191.05560	11.1
193.03493	6.4
193.05032	17.0
202.43176	3.4
205.01361	8.7
207.03072	4.7
209.04553	29.6
211.06139	6.6
219.02998	4.3
223.06058	12.3
237.04051	19.2
241.07143	54.8
242.07520	4.6
247.99733	3.6
309.11639	5.2
324.12366	3.5
341.08875	26.5
385.07843	22.4
399.09473	5.3
415.62732	3.5
417.10391	69.4
418.10449	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	417.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40992	2.7
59.01383	58.5
60.78363	2.7
61.98818	8.0
65.19109	2.9
66.62412	3.0
67.01891	19.6
68.99821	37.2
71.01377	54.2
72.99318	29.6
73.02950	8.9
75.00876	15.7
77.03455	2.6
81.03462	5.7
83.01347	4.0
85.02957	32.2
87.00874	58.2
88.23107	2.9
89.02454	35.0
93.03461	13.0
93.37890	2.8
95.01389	7.8
95.85326	3.1
97.02931	5.3
98.19886	10.2
99.00887	15.1
101.02445	100.0
105.01931	37.1
105.03489	7.3
107.05031	5.0
108.02165	4.3
109.02948	22.9
111.00911	9.7
113.02459	43.2
117.03480	4.9
119.03477	9.8
119.05049	3.6
121.02962	17.8
123.04537	14.6
125.02448	4.5
127.04018	80.6
128.04311	4.7
131.03523	5.2
133.02922	21.7
135.04483	9.4
137.02458	8.6
139.03989	3.8
143.03520	5.7
145.02904	5.7
147.04512	8.6
149.02428	10.4
151.04019	8.4
153.01970	4.9
157.01433	3.4
161.02448	27.0
163.04039	6.2
165.05569	8.4
175.02487	30.1
177.01894	11.3
177.05515	3.9
179.03506	4.2
179.05531	4.8
181.05089	6.8
185.01370	3.3
189.05576	3.8
191.03519	15.2
191.05614	35.8
192.05989	16.5
193.01360	3.7
193.03455	6.8
193.05058	11.6
205.01370	7.3
207.02995	3.2
209.04547	36.0
211.05988	3.4
219.02997	5.1
223.06100	9.4
237.04010	23.5
241.07164	43.8
242.07579	3.1
341.08774	18.2
353.86264	3.0
354.09167	6.1
385.07828	21.4
390.51703	3.3
399.09445	3.5
416.27808	3.8
417.05310	5.2
417.10358	78.4
417.15445	6.1
418.10312	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	415.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01713	1.0
68.99571	0.5
69.61362	1.1
69.61781	2.0
112.98556	0.7
213.49933	0.4
217.42754	0.4
248.38228	0.4
275.57870	0.4
279.23386	1.8
321.22104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98533	0.7
61.98832	11.7
69.09148	0.4
71.07076	0.9
71.75232	0.4
85.02966	5.0
87.00878	1.0
93.03475	1.8
95.91281	0.4
99.14626	0.4
111.04511	0.7
127.04010	0.9
133.03136	0.4
157.72137	0.5
161.02409	1.8
173.04561	1.1
179.03374	0.6
191.05612	100.0
192.05910	2.8
192.88963	0.4
224.86676	0.4
267.54373	0.4
308.39456	0.4
318.24179	0.4
353.08698	10.9
354.09222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2855
Annotation	24beta-Methoxyscalarolide
Peak:m/z	Relative Intensity
54.25861	0.2
59.01371	0.5
60.58503	0.2
60.99304	0.8
64.99146	0.2
66.58416	0.2
69.03465	3.0
69.35798	1.5
73.02927	0.3
85.95443	0.2
113.28933	0.2
123.64375	0.2
156.67570	0.2
161.44121	0.2
213.73668	0.2
214.66628	0.2
252.86429	0.2
277.85300	0.2
337.25412	0.3
351.27008	0.4
353.28500	7.1
354.28989	0.7
358.30862	0.2
364.46091	0.2
367.26501	1.3
369.27994	4.6
370.28479	0.4
371.29568	0.4
397.27463	10.8
398.27850	1.4
401.26907	0.3
413.27490	0.3
415.28534	100.0
416.28891	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	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
57.03461	0.4
58.00607	0.3
59.01383	100.0
60.01712	0.9
71.01388	3.6
73.02966	1.1
73.70898	0.3
80.17266	0.2
83.01411	0.6
85.02967	2.0
87.00916	0.4
88.50929	0.2
89.02457	1.0
92.84496	0.2
96.96032	0.4
98.19902	0.5
98.95612	0.4
101.02449	2.6
111.00919	0.3
113.02477	1.1
119.03519	0.6
120.99664	0.3
159.02945	0.3
161.04590	1.1
191.04208	0.2
191.05597	1.5
227.43791	0.3
272.72534	0.3
291.25064	0.3
304.26630	0.3
355.52982	0.3
373.22336	2.8
415.14682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2488
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
57.03449	2.3
59.01382	3.8
59.32241	0.4
60.99298	0.6
69.03449	0.5
69.42394	2.4
71.01371	0.6
83.01380	1.9
84.02163	5.3
85.02934	0.5
107.65752	0.4
110.23915	0.4
111.08141	0.4
137.89462	0.3
139.11259	0.4
140.28250	0.4
172.01395	0.4
197.38538	0.4
197.67511	0.4
216.37177	0.4
257.15259	0.7
270.68784	0.3
272.19168	0.4
285.18518	1.1
306.18073	0.4
311.20172	0.5
313.21713	0.6
327.23294	0.5
339.19727	0.4
353.21097	5.9
353.24905	3.2
355.22775	11.1
356.23163	1.1
365.56192	0.4
369.20673	0.6
371.25958	5.7
372.26251	0.7
397.23721	1.0
415.24829	100.0
416.25104	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	415.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45843	0.5
59.01386	4.4
70.13519	1.2
74.99091	6.4
77.00663	71.1
109.14743	0.5
136.68457	0.5
147.08144	1.5
149.09709	2.1
161.09698	0.6
163.11324	2.7
187.11241	2.7
191.18419	0.5
279.13934	0.7
280.14697	1.5
292.32428	0.5
307.17026	0.8
309.22098	2.6
337.21707	100.0
338.22043	9.4
415.23074	21.0
415.28210	6.0
415.34427	3.0
416.23367	2.1
416.28323	0.6
423.49332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84379	0.3
59.01382	1.8
70.88251	0.3
70.88581	0.5
71.01386	1.2
73.02951	0.4
79.95750	2.5
80.96551	1.4
83.01380	0.4
85.02951	0.7
86.97710	0.3
87.00826	0.4
89.02423	0.5
89.65736	0.3
93.03461	0.7
95.95222	0.3
96.96014	91.3
97.95982	0.3
98.95601	0.4
101.02433	1.3
113.02464	0.3
114.90188	0.3
120.99683	0.4
122.97601	0.6
138.97021	0.6
139.28525	0.3
141.51335	0.3
150.97021	0.5
152.98651	0.5
180.98128	1.8
191.05562	1.4
241.00307	3.6
281.25403	0.3
409.07706	0.3
415.16428	100.0
416.16776	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	415.1611
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.14801	0.7
54.23684	0.6
55.01882	2.9
55.94291	0.5
57.03442	3.3
58.00598	4.2
58.10794	0.6
59.01382	90.0
61.98833	14.8
62.12986	0.6
62.26016	0.5
69.03445	1.8
71.01385	98.0
71.56107	0.7
72.01729	1.3
72.99303	4.9
73.02952	25.4
74.02488	2.0
75.00874	1.5
78.03080	0.6
78.95906	2.1
81.03443	0.7
82.02948	0.6
83.01396	7.6
85.02955	27.3
86.00089	1.3
86.03280	0.8
87.00890	9.9
89.02449	100.0
90.02779	0.8
93.03461	2.4
95.01371	2.8
96.00940	1.0
96.96011	1.9
97.02966	3.3
99.00882	7.5
100.04082	1.0
101.02448	65.6
102.02801	1.3
108.02179	0.9
109.02975	1.1
110.10368	0.7
111.00893	0.8
111.04502	0.9
113.02453	24.8
113.03603	1.3
115.04017	1.3
119.03508	7.2
123.04453	0.7
125.02465	4.8
129.01949	0.9
130.08780	0.8
131.03516	42.7
132.03816	0.7
143.03535	2.9
149.04564	64.8
150.04900	1.7
151.51385	0.6
152.99583	2.8
159.02992	2.6
161.04555	23.6
173.04584	2.6
179.05676	1.3
191.05623	32.2
192.06056	0.9
205.03474	0.6
233.06741	1.7
240.00748	0.6
244.20015	0.6
269.10300	3.0
283.11874	30.3
284.12222	2.4
293.08899	1.6
307.66711	0.7
311.89941	0.6
328.15106	1.7
380.18365	2.3
415.16187	36.3
415.23749	1.6
416.16687	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	415.1613
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.55233	0.3
55.01871	0.8
56.00015	0.3
57.03423	0.5
58.00593	2.8
59.01382	69.3
60.01715	0.8
61.98789	0.2
69.03464	0.6
70.87197	0.4
70.87531	0.4
71.01384	55.5
71.92609	0.3
72.01739	0.6
72.99316	2.8
73.02950	17.3
75.00866	0.4
77.26323	0.2
77.40874	0.3
80.96535	0.4
83.01382	1.5
85.02956	6.8
87.00887	1.7
89.02448	100.0
90.02773	0.8
93.03467	0.9
95.01386	1.3
97.02937	1.3
99.00884	29.2
100.01237	0.5
101.02448	36.6
102.02814	0.7
113.02455	11.4
115.04002	0.8
119.03503	7.9
123.04489	0.3
125.01533	0.3
125.02448	4.9
131.03510	17.9
132.03864	0.4
135.04582	0.4
143.03517	1.8
145.35214	0.3
147.91980	0.3
149.04561	61.7
150.04866	1.7
161.04579	3.7
179.05606	3.3
191.05618	18.7
192.06018	0.6
213.58862	0.3
221.06693	2.4
233.06659	0.3
251.07738	4.5
275.07831	0.5
283.11899	1.1
293.08661	0.6
297.77170	0.3
311.09979	0.7
415.16217	12.4
416.16504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01706	0.9
70.85036	2.4
148.81760	0.9
185.19772	0.9
255.41769	0.9
274.31317	0.9
341.74905	0.8
354.02148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01720	1.1
60.47965	0.4
67.99731	0.5
69.87627	2.6
72.39699	0.4
88.12972	0.5
109.90052	0.5
158.78232	0.5
230.00909	0.5
390.11392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39792	0.5
59.01382	6.8
62.41365	0.4
64.96568	0.4
69.03416	0.5
70.83653	1.2
71.01392	6.5
72.99314	0.6
73.02932	0.9
78.95882	0.9
79.01926	0.5
80.96534	0.5
81.03471	0.7
83.01392	0.7
84.32841	0.5
85.02958	3.9
87.00867	1.4
89.02444	6.9
93.03461	2.3
95.01411	1.2
96.96017	0.7
98.20569	0.5
99.00874	0.8
101.02441	2.4
108.02173	20.9
109.02967	18.8
110.03317	0.6
111.04514	0.6
113.02453	1.5
116.02847	0.5
117.05582	0.7
121.02960	100.0
122.03309	2.8
123.00885	1.0
123.04530	0.7
125.02431	2.7
130.08685	0.5
131.03503	1.6
135.04544	0.5
137.02426	1.0
149.04570	2.1
152.01154	24.8
152.99564	0.9
153.01955	10.2
163.03996	1.0
165.01942	0.6
167.03485	0.8
170.50305	0.4
191.05618	9.0
193.04839	0.5
207.48442	0.5
233.06656	0.5
269.07635	0.8
293.08948	2.8
293.53119	0.4
315.07220	1.4
357.08221	4.1
380.18542	0.6
397.11362	1.2
397.21298	0.7
415.12411	36.5
416.12738	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	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01382	100.0
60.01720	1.1
61.98829	0.9
62.52699	0.3
66.03488	0.2
68.80053	0.2
69.52977	1.6
71.01387	4.0
72.99335	0.4
73.02955	1.4
75.00896	0.3
79.95736	0.5
83.01403	0.4
85.02966	2.0
87.00868	0.5
89.02473	1.3
93.03485	0.3
95.01399	0.3
96.96016	12.9
99.00928	0.3
101.02451	2.0
106.32874	0.2
113.02469	1.6
119.03506	0.4
122.03695	0.3
129.01875	0.4
143.03506	0.3
150.18019	0.2
161.04633	0.6
177.04094	0.5
181.07089	0.3
191.05624	0.4
199.13457	0.3
256.99713	2.5
267.07190	0.5
273.71432	0.3
413.14902	14.7
414.15237	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03453	0.7
59.01380	100.0
60.01721	1.1
61.01098	0.2
70.59740	0.6
71.01382	5.5
73.02956	1.9
75.16383	0.2
79.95763	0.2
83.01394	1.1
85.02959	3.3
87.00899	0.7
87.10248	0.2
89.01959	0.3
89.02431	1.6
95.01395	0.3
96.96013	11.8
97.02962	0.2
98.95589	0.7
99.00909	0.8
101.00655	0.6
101.02441	4.1
113.02460	2.5
119.03512	0.6
125.02425	0.2
126.59657	0.2
137.09727	0.3
146.89125	0.2
151.11308	0.2
158.27763	0.2
159.03003	0.4
161.04561	1.2
166.73544	0.2
173.04625	0.2
180.98116	0.3
181.12299	0.3
191.05635	0.5
209.15474	1.3
241.00243	1.1
283.13837	0.4
353.19714	1.9
365.46338	0.2
371.20758	6.8
372.21121	0.6
413.14847	14.8
413.21518	0.5
414.15060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.1
57.03445	1.5
58.74739	1.1
58.75764	1.1
59.01383	36.6
61.98826	2.4
69.64162	3.5
69.64580	2.7
71.01387	25.9
73.02952	12.9
77.86799	1.1
83.01385	5.2
85.02954	14.7
87.00874	2.3
89.02456	6.0
95.01395	2.2
96.96033	1.9
97.02963	1.1
98.19900	2.0
99.00871	6.4
101.02452	32.3
109.02973	4.4
113.02462	12.9
118.02901	1.1
119.03522	1.6
129.01959	1.7
131.03494	1.6
135.04529	10.2
143.03479	2.1
149.06084	4.8
159.03021	2.7
161.04582	18.4
161.06036	3.1
162.90410	1.3
171.70673	1.2
174.23238	1.1
189.05582	9.0
207.06653	8.2
221.10324	100.0
222.10597	3.9
249.18271	1.4
353.14548	76.3
354.14771	7.9
369.11755	2.2
413.10757	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	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88363	0.2
57.03444	0.6
59.01379	100.0
60.01712	0.6
61.98835	0.4
69.30762	1.2
69.31163	0.4
71.01375	4.2
73.02943	1.1
75.00890	0.3
83.01389	0.5
85.02959	1.7
87.00885	0.4
89.02454	1.8
95.01402	0.2
96.96011	6.3
98.95612	1.5
98.96426	0.3
99.00901	0.5
101.02442	3.1
102.98608	0.4
113.02460	1.6
119.03510	0.7
130.80241	0.2
149.50029	0.2
150.24081	0.2
153.05687	0.3
160.07167	0.2
161.04556	0.9
178.46234	0.2
179.05594	0.4
180.98180	0.3
191.05635	0.3
209.15500	0.5
230.68045	0.2
353.19730	0.6
371.20612	2.2
372.21295	0.3
412.71179	0.8
413.14120	7.8
413.21432	0.5
414.14764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18870	0.3
55.11106	0.3
56.60515	0.3
59.01381	1.9
70.51993	1.1
71.01381	1.2
73.02936	0.4
79.95734	3.8
80.96535	1.9
83.01394	0.4
89.02438	0.7
95.95248	0.6
96.96011	100.0
98.20534	0.4
101.02453	2.1
104.71384	0.3
113.02445	0.4
122.97569	0.9
134.27332	0.3
138.97060	1.3
143.42657	0.3
150.97035	0.9
152.98602	1.9
180.98157	3.5
191.05598	0.5
198.99106	0.7
225.00810	0.6
241.00223	6.1
405.63705	0.3
413.14847	91.5
414.15231	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	413.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17815	0.3
58.37556	0.3
59.01388	2.3
59.40672	0.3
60.16155	0.3
69.53479	0.3
69.84341	0.4
69.84740	1.0
71.01376	1.0
73.02962	0.3
79.95741	2.8
80.96511	1.0
85.02927	0.5
95.95262	0.4
96.96015	90.9
97.95972	0.3
98.20636	0.4
101.02473	1.5
102.94352	0.3
113.02459	0.8
122.97609	0.7
138.97102	0.7
139.82779	0.3
150.97064	0.6
152.98665	0.7
180.98132	2.7
191.05611	1.0
241.00270	4.0
299.64447	0.3
312.25552	0.3
413.14859	100.0
414.15155	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	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.31197	2.0
85.41293	0.8
100.49411	0.9
105.78613	0.8
113.54559	1.0
122.65611	0.9
127.48334	1.0
177.29956	0.9
232.32555	0.8
274.34509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53655	0.7
55.01852	0.8
57.03438	2.4
59.01117	1.3
59.01384	19.1
61.98835	11.4
66.75517	0.7
67.01894	1.1
68.99805	1.5
69.03455	1.7
69.49892	3.1
69.50320	2.2
71.01383	21.2
72.99307	5.2
73.02944	3.2
75.00875	15.5
81.04995	0.7
83.01381	1.5
85.02951	22.9
87.00880	8.6
88.98811	0.9
89.02441	6.4
91.04021	1.2
93.03430	1.6
95.01385	3.0
96.96006	2.3
98.20626	1.7
99.00887	10.2
101.02447	1.2
103.00364	2.6
109.02959	1.0
113.02454	29.3
115.00344	2.5
117.01923	2.9
117.03454	3.6
119.05031	41.4
120.05309	1.0
129.01901	2.0
131.00864	1.0
135.04521	1.2
145.01872	1.2
145.02960	16.5
149.04501	1.0
157.01500	1.3
163.04015	36.2
164.04367	1.2
167.03253	1.1
175.02431	2.2
191.05644	5.8
192.05959	1.8
195.01205	0.9
207.05029	2.3
231.05165	1.2
237.07664	3.0
249.06140	24.0
250.06497	1.8
267.07208	100.0
268.07452	3.7
275.53839	0.9
318.32309	0.9
395.09750	1.4
412.62067	2.3
413.10886	51.0
414.11340	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03427	2.5
59.01377	17.4
61.98831	6.0
67.01874	0.8
68.99809	1.8
69.03433	1.1
69.34964	6.5
71.01381	19.2
72.99303	3.9
73.02952	1.9
75.00871	15.0
79.73398	0.8
83.01398	1.3
83.11303	0.7
85.02954	24.2
87.00883	8.8
89.02455	5.7
91.03977	1.3
93.03460	4.2
95.01379	4.6
96.96006	2.0
99.00886	10.1
101.02430	2.1
103.00368	2.3
111.00909	1.0
113.02448	26.3
115.00375	2.5
117.01922	2.1
117.03444	2.2
119.05027	37.7
120.05334	1.0
129.01945	2.4
135.04514	2.3
137.02406	2.5
145.02943	17.2
147.04497	0.9
161.02444	1.1
163.04013	30.9
164.04327	1.8
173.04500	1.0
175.02437	2.2
191.05574	4.3
207.05103	2.3
219.04095	0.9
231.04942	1.6
233.06592	0.9
237.07683	3.1
249.06126	20.9
255.08823	3.0
267.07202	100.0
268.07584	4.4
351.10904	1.3
375.12927	1.0
413.10834	61.5
414.11118	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	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.6
58.00606	0.9
59.01380	100.0
61.98833	1.9
66.11591	0.6
66.65405	0.6
69.03450	0.7
70.20679	2.6
70.68436	0.6
71.01383	21.7
72.99324	0.7
73.02944	17.3
75.00871	0.8
78.95914	1.2
79.95763	0.8
83.01402	5.3
85.02942	5.2
87.00902	1.9
89.02451	7.8
93.03477	2.6
95.01420	0.9
96.96012	11.9
96.96609	1.0
97.02922	0.8
99.00882	0.9
99.04553	0.8
101.02448	20.9
109.06582	5.6
110.98574	0.8
113.02454	10.4
113.03170	1.0
119.03526	2.6
125.02428	0.9
131.03479	1.3
134.20665	0.7
135.04558	2.1
137.02515	0.7
137.09732	6.3
142.48395	0.6
143.03500	1.6
149.04544	1.2
155.03522	1.2
161.02446	1.5
161.04550	3.6
163.11299	3.4
173.04628	1.5
174.01892	0.8
176.03955	3.6
177.01877	1.2
179.03508	1.5
179.05711	1.4
181.12355	1.1
185.02287	1.1
187.11299	1.2
191.05594	6.7
191.06888	0.6
192.05951	1.5
195.10350	0.8
207.10239	7.5
225.11304	8.5
241.00006	0.7
274.46817	0.8
297.94434	0.8
297.99692	0.7
393.13171	8.1
401.61719	0.8
411.13312	14.8
411.19644	1.2
412.13846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
57.03187	0.2
57.03452	2.9
57.74510	0.1
58.03785	0.2
59.01380	1.6
67.01891	3.3
68.02235	0.4
68.99829	0.9
71.01401	1.5
71.49677	0.2
72.01720	0.1
72.99309	0.8
73.02957	0.3
75.00876	5.4
75.22123	0.1
76.01218	0.2
83.01386	0.5
85.02957	5.6
86.03288	0.7
86.97874	0.2
87.00880	5.8
88.01220	0.5
89.02428	0.2
95.01376	0.7
96.96020	1.0
99.00881	0.4
101.02465	0.9
108.24796	0.1
111.00889	100.0
112.01222	15.7
113.01339	1.4
113.02438	2.6
114.02778	0.4
115.00384	0.2
129.01912	0.3
130.94746	0.2
134.91238	0.1
145.02963	0.4
151.00377	0.4
151.22374	0.1
154.99879	0.3
157.01437	0.2
173.00917	8.1
174.01262	1.7
175.01257	0.2
175.02626	0.2
183.14024	0.2
191.01936	0.3
203.07072	0.2
205.05109	0.5
211.13405	3.8
217.06447	0.2
221.06087	0.2
241.00264	0.2
245.06157	0.3
246.06746	0.2
249.05319	0.2
274.05951	0.1
277.05057	0.3
305.08191	0.2
309.07892	0.2
310.42111	0.1
323.68884	0.6
333.07623	1.8
334.07983	0.2
365.10309	0.3
408.33466	0.2
410.69650	0.8
411.13187	1.0
411.18604	0.8
422.37411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90955	0.4
57.03442	0.8
59.01384	2.5
61.98830	0.5
66.30019	0.3
69.38931	2.6
71.01372	3.4
72.99303	0.8
75.00884	1.2
79.95284	0.5
79.95744	7.1
80.57257	0.3
80.96523	1.4
84.02170	0.4
85.02952	5.4
89.02455	0.7
95.95230	2.8
96.96014	99.7
97.02934	0.6
98.20701	0.5
99.00883	2.1
101.02433	0.7
113.02464	0.6
115.04024	0.5
122.97565	0.6
129.01962	3.2
138.97072	1.1
141.01953	0.5
150.97089	1.2
152.98642	1.6
156.92682	0.3
159.03024	0.4
168.98099	1.3
176.98672	0.8
177.04039	7.5
180.98129	0.9
181.29031	0.3
194.99678	1.2
207.10284	0.8
225.11327	1.7
241.00211	2.1
256.99747	37.3
258.00101	1.4
281.58444	0.4
393.13187	1.0
402.92307	0.4
411.13300	100.0
412.13657	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.9
59.01112	0.8
59.01379	11.4
61.98831	4.1
65.63858	0.7
69.03445	0.9
69.49464	2.4
69.49885	2.2
71.01402	3.8
71.01755	0.7
73.02943	2.0
78.56631	0.7
78.95908	8.5
79.95724	0.8
80.02682	1.0
81.03462	1.9
83.05019	2.6
83.86456	0.8
84.02142	1.2
85.02901	1.6
87.00864	1.0
93.03478	1.4
95.01369	1.7
95.05023	9.8
96.96009	17.4
97.02933	4.6
97.06551	0.9
98.95595	2.1
99.04504	2.0
101.02425	0.8
106.04244	1.4
107.05040	0.9
109.02985	1.5
109.06589	10.9
110.03718	3.3
110.98524	7.7
111.04521	3.1
121.06545	0.9
125.06023	0.7
125.09695	0.9
132.04504	0.8
135.04485	1.4
135.08252	1.2
138.82793	0.7
145.10229	1.0
149.09680	1.0
151.11313	2.0
153.12791	1.3
161.09706	2.7
163.11279	15.0
164.11525	1.1
167.01106	2.7
167.10735	1.0
169.12357	2.0
173.04546	1.5
179.10759	2.8
181.12305	3.4
181.63142	0.7
185.02188	8.8
189.09196	8.2
190.09698	0.9
191.05626	5.0
197.11810	2.6
199.13385	1.4
207.10252	28.9
208.10590	1.6
218.20134	0.8
225.11305	100.0
226.11597	6.7
241.00198	1.0
256.99670	1.1
263.11237	0.8
304.10553	0.8
338.29385	0.8
341.11465	1.1
353.08218	0.9
373.13986	1.2
393.13144	51.1
394.13593	4.9
411.13278	21.2
412.13693	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07734	0.4
54.36142	0.3
55.66506	0.3
57.03452	1.2
58.65625	0.4
59.01382	2.1
68.24533	0.4
68.25051	0.4
69.38199	1.5
69.38631	1.3
71.01385	3.2
72.99310	0.7
75.00872	1.3
75.83581	0.4
79.95742	4.7
80.96531	1.8
84.02156	0.4
85.02953	4.8
87.00883	0.5
89.02451	1.6
95.95200	1.0
96.96014	100.0
97.02944	0.4
97.06799	0.4
99.00904	2.1
115.03967	1.2
128.87727	0.4
129.01926	3.0
138.97052	1.9
150.97055	1.0
152.98676	1.1
161.02469	0.4
168.98119	1.2
176.98630	0.8
177.04034	7.3
180.98137	0.6
194.99680	1.2
204.82985	0.4
213.00708	0.6
225.79449	0.4
241.00240	2.5
256.99728	40.0
258.00003	1.4
403.02383	0.4
411.13297	88.7
412.13675	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	411.133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01384	3.8
61.98817	1.0
67.01881	1.3
69.03448	0.4
71.01374	2.4
71.05004	1.0
71.55708	0.6
72.99291	0.5
73.02934	1.2
75.00874	1.3
79.95718	2.3
80.96523	0.5
83.01359	0.5
85.02952	2.3
87.00864	3.6
89.02444	0.6
93.03462	1.5
96.96010	62.6
97.06573	0.4
99.00868	0.6
101.02454	2.1
107.05028	0.5
109.02946	0.4
110.20708	0.4
111.00882	29.8
112.01222	4.0
113.01445	0.4
113.02413	1.2
121.53152	0.4
128.03084	0.4
131.03519	0.4
134.03757	0.7
135.04488	1.0
137.02443	0.4
138.97025	1.0
150.97046	0.9
151.00327	0.7
152.98648	1.4
161.02409	0.7
162.13799	0.4
173.00899	2.7
173.04503	0.5
180.98112	1.9
191.05605	4.6
192.05954	0.6
206.25533	0.4
225.00583	0.4
225.11412	0.5
241.00238	7.9
307.22952	0.5
400.07742	0.5
401.61951	0.5
411.13290	100.0
412.13620	9.0
412.21017	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.4
68.99821	15.7
69.53340	1.2
81.95271	1.1
88.98810	4.4
93.45110	1.2
96.96062	1.5
98.19855	2.9
99.00877	3.9
100.59905	1.1
101.02442	4.5
102.87629	1.1
111.00873	8.4
112.87012	1.2
117.03436	6.1
118.50241	1.1
119.05049	14.5
145.02959	51.1
146.03279	2.3
147.04497	2.6
159.53938	1.3
160.00114	1.5
162.03307	1.3
177.05597	4.7
189.01985	1.9
202.94104	1.8
205.05060	100.0
206.05347	5.8
217.06583	5.4
219.08163	4.2
221.06096	1.8
233.06183	1.5
245.06104	13.4
246.06767	9.9
247.07646	1.9
249.05539	10.1
249.09256	2.0
250.06012	1.9
258.25208	1.0
263.03650	1.1
263.07050	1.4
273.05597	10.4
274.06323	9.8
275.06583	1.3
277.05011	3.4
277.08685	4.4
278.05676	1.3
289.08508	1.3
301.04922	3.7
305.08170	13.3
333.07687	97.0
334.07971	10.4
337.10797	3.4
365.10245	8.1
411.16858	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98830	61.9
70.87654	24.9
70.87998	26.9
87.00897	18.5
96.95966	20.7
244.65359	17.3
341.19156	17.2
415.19824	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	408.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64452	0.4
59.01375	2.5
61.01773	0.6
61.98831	100.0
66.33312	0.4
71.01373	0.6
72.53895	0.4
75.78566	0.5
89.13396	0.4
125.73934	0.4
197.86659	0.5
229.08214	0.5
339.74936	0.5
387.16220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01369	1.5
66.08369	0.5
67.01893	1.0
68.99816	17.1
71.01387	1.0
75.00899	0.8
75.14027	0.6
77.52538	0.5
85.02960	1.3
87.00879	1.1
89.03969	1.0
90.46635	0.5
93.03351	0.6
94.48943	0.5
98.19856	1.3
99.00871	4.3
101.02448	7.9
101.03947	2.3
111.00883	25.4
112.01226	3.0
117.03465	6.6
118.03751	0.5
119.05029	13.5
127.04007	0.7
138.14825	0.5
145.02953	53.1
146.03336	2.2
147.04515	1.9
155.03551	1.1
162.03229	1.9
173.00908	2.1
173.02452	1.7
177.05568	3.9
189.07040	0.8
190.02728	0.6
205.05051	100.0
206.05409	4.8
217.06625	2.2
219.08139	1.0
220.05374	1.3
221.06049	2.0
225.65024	0.6
233.06125	1.1
235.07661	0.6
245.06088	5.0
246.06760	3.8
247.07680	0.8
249.05554	4.9
273.05548	4.7
274.06287	3.1
275.06949	0.9
277.05045	4.6
277.08603	1.5
278.05505	1.5
281.08340	0.6
291.06494	0.6
301.05072	2.4
304.07324	0.6
305.08145	4.6
309.07605	1.7
319.06082	1.0
333.07675	33.6
334.08105	3.3
337.10779	0.8
347.05484	3.1
365.10269	5.2
379.08261	1.5
411.10858	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
59.01375	0.5
61.98828	0.4
71.01386	0.8
71.31666	0.5
73.02950	0.6
77.25319	0.2
79.95734	3.8
80.96515	2.0
82.27444	0.2
83.01399	0.3
85.02943	0.3
87.00885	0.7
94.98067	0.6
95.95252	0.8
96.96010	100.0
97.95979	0.4
101.02419	1.1
113.02421	0.3
113.11887	0.3
122.97573	0.8
133.77084	0.3
138.97108	1.2
148.05298	1.4
150.97067	0.5
152.98639	5.3
163.07664	0.7
166.96565	0.3
180.98145	2.2
222.99109	0.3
241.00230	28.3
242.00568	0.8
242.08284	0.3
243.08560	0.5
267.95465	0.2
343.46021	0.2
405.08578	50.4
406.08804	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38576	0.8
57.03446	2.6
59.01382	100.0
60.01722	0.9
61.98825	3.7
69.03465	4.0
70.56491	1.0
70.56829	1.6
71.01381	5.4
71.05051	1.4
73.02966	1.1
83.01387	1.1
85.02997	2.8
87.00889	1.7
89.02455	3.0
93.03459	1.3
95.01417	0.8
96.96047	2.1
101.02456	4.5
101.51979	0.7
111.08157	0.9
111.21172	0.8
113.02430	3.7
119.03530	1.8
119.04988	0.8
123.04513	0.8
127.04087	0.8
133.02950	0.9
135.04568	1.6
139.11296	6.9
143.03564	0.7
153.01950	0.8
161.04602	2.2
173.04608	1.0
176.04099	0.9
179.03606	0.7
179.05652	0.9
183.10275	60.5
184.10683	2.8
191.05653	4.5
209.12022	1.0
225.11411	2.2
267.07986	0.8
281.09372	2.9
285.12582	2.0
311.10315	7.2
329.11377	1.7
345.15695	2.7
405.16901	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84633	13.2
59.01383	100.0
61.98834	56.9
71.51653	10.8
96.95979	13.9
99.18210	11.0
100.47566	11.6
117.32487	12.0
146.12764	13.6
149.14320	11.1
175.71370	11.8
405.28638	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	404.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06549	0.8
59.01366	2.7
61.98833	100.0
65.11842	0.9
71.54976	1.3
73.02960	1.5
74.84699	0.8
87.43617	1.0
87.84240	1.0
89.02457	1.1
101.02463	1.5
104.62241	1.0
127.04019	1.5
128.04326	0.9
186.77145	1.1
226.85669	1.1
329.24884	1.0
361.69415	1.0
404.24954	1.6
405.26416	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	403.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33171	12.9
56.66232	12.3
59.01368	31.0
61.98791	11.7
65.58936	10.8
70.80284	26.5
85.96738	10.3
92.03162	12.1
101.02451	11.4
102.54311	16.2
108.44057	11.0
108.94295	12.5
112.09525	11.4
119.48050	11.2
127.04034	27.0
134.23438	12.1
163.34732	11.3
189.80551	11.2
241.07204	21.5
364.45355	12.7
403.28351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96417	7.3
59.01381	99.8
60.03922	7.1
61.98840	17.8
62.97427	6.7
67.01892	13.4
68.99813	10.3
71.01383	21.7
71.55642	13.0
89.02444	14.2
99.20256	7.0
100.85516	7.1
101.02440	34.8
109.02937	8.4
119.03478	9.1
121.02959	12.0
127.04008	40.2
139.33847	8.5
140.13525	8.1
241.07179	21.7
292.96014	8.5
330.14700	7.8
403.28668	100.0
404.29218	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	404.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01145	0.8
58.02971	9.2
59.01379	9.3
61.98829	1.9
62.05248	1.0
65.02660	1.1
67.27422	0.9
68.99812	2.4
70.00149	1.2
70.26910	1.0
71.01377	6.5
72.01687	1.3
74.02042	1.1
74.02467	20.1
75.00874	2.3
75.12414	1.0
81.04565	1.8
82.02991	1.8
84.04524	1.3
85.02950	1.7
86.02479	6.0
86.99105	1.5
87.05647	4.8
89.02442	3.0
90.00175	1.8
93.03462	1.6
96.04627	1.7
96.95999	4.0
97.04091	1.5
98.20695	1.9
99.05627	17.1
101.02447	9.9
101.07213	2.8
102.02811	1.2
102.05598	2.5
109.02972	1.1
109.04089	2.4
112.04082	1.7
113.02454	1.7
117.80599	1.1
118.21198	1.1
121.02953	5.2
122.03266	1.8
123.05630	1.9
124.04061	1.3
125.03499	1.5
127.04057	1.7
127.05119	4.4
128.03543	47.1
129.01924	1.5
129.03770	1.4
131.04663	1.3
135.05632	4.8
137.07243	1.5
141.06679	4.1
143.04626	67.7
144.05046	1.2
145.06125	1.3
146.04590	5.8
153.06708	5.5
155.08229	1.3
159.99515	1.3
160.00751	19.9
166.09840	2.8
167.04663	5.5
167.08255	1.7
167.13972	1.0
177.03372	6.8
179.04584	12.1
181.06134	2.2
184.10905	1.4
185.05643	2.7
190.95178	0.9
191.03404	0.8
191.05626	6.9
192.07715	1.1
197.05684	2.2
198.08760	1.2
200.52657	1.0
205.86658	1.2
210.08853	12.0
217.94968	1.3
242.07712	2.8
254.07782	20.4
272.08847	30.3
273.09076	1.7
288.06604	10.2
306.07648	100.0
307.07907	7.0
404.15076	1.6
405.11069	4.7
405.17435	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10439	12.1
59.01385	79.7
61.98821	23.2
67.01907	15.2
69.28396	76.8
69.28821	53.1
71.01379	21.5
71.50896	14.4
73.02940	19.2
89.02436	24.2
101.02419	35.9
104.71799	14.8
111.00871	95.4
121.02952	19.4
127.04016	44.1
187.67679	14.4
241.07048	26.0
245.30020	15.5
296.79059	15.1
301.98123	16.2
386.65137	13.6
400.31415	15.8
403.12085	17.3
403.24878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	97.4
61.98814	23.8
69.47919	65.0
69.48344	42.2
82.18486	13.7
89.45454	16.5
94.46429	12.5
101.02451	35.3
111.00838	14.6
121.02878	17.6
127.04012	58.8
146.23331	14.4
197.36932	13.9
241.07095	28.3
283.26361	22.8
403.27853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	36.7
60.64324	3.4
61.98819	6.9
64.76677	4.0
68.99817	7.7
71.01372	10.9
79.02029	3.7
81.81631	3.5
96.96007	14.1
98.19868	7.9
101.02437	21.7
121.02922	7.5
127.03966	18.1
154.09306	3.5
191.03430	6.0
229.18086	4.7
241.07210	19.9
275.34027	4.3
287.10437	3.6
295.20700	4.4
399.39566	3.9
403.12686	4.9
403.17722	7.0
403.28683	100.0
404.29126	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	403.1249
Annotation	7,8-Didehydropenstemoside
Peak:m/z	Relative Intensity
57.03428	3.7
59.01383	48.2
61.98847	16.1
65.03684	1.3
65.03968	14.2
67.01898	17.6
68.99818	43.4
69.47274	8.9
69.47680	3.4
71.01385	29.8
72.01758	1.4
72.99296	2.5
73.02946	5.4
75.00852	2.3
81.03445	1.9
83.01382	2.2
85.02958	9.1
87.00884	3.7
89.02446	27.7
91.05527	4.0
93.03443	7.4
95.01392	2.7
95.05036	4.2
96.96020	9.3
98.19878	1.6
99.00871	2.1
99.04515	2.0
101.02446	100.0
102.02784	2.6
103.05544	2.0
107.05015	2.4
109.02951	9.3
111.00863	3.7
113.02445	11.5
117.03455	3.0
119.03563	10.1
119.05035	23.9
121.02982	11.8
121.06573	4.2
123.04500	3.1
126.18751	1.7
127.04016	64.2
131.03505	1.9
133.02962	3.0
135.04498	5.3
137.02434	1.9
137.06084	4.1
139.04019	83.3
140.04413	2.3
143.03447	2.8
145.02977	2.7
147.04538	24.5
148.04881	2.7
149.02400	3.0
149.04607	1.7
149.06026	1.6
149.39400	1.5
151.03955	2.3
153.05559	2.0
157.19693	1.4
159.77892	1.8
161.02480	9.2
161.04572	3.5
163.03999	5.6
163.07718	1.8
164.98871	1.4
165.05576	19.3
165.60165	1.4
173.04552	1.7
174.05476	1.6
177.05554	4.4
179.03520	1.9
179.05620	2.4
179.07111	10.8
179.10722	3.1
181.05107	1.8
191.03470	10.3
191.05559	4.7
193.04984	7.6
195.06657	4.5
197.11795	6.9
205.05026	4.9
209.04500	5.8
223.06117	23.3
241.07181	45.4
241.10815	8.7
297.88956	1.6
327.10718	2.3
371.09793	11.2
403.12384	78.0
403.19836	3.1
404.12628	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1242
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
55.01872	0.8
57.03439	0.5
58.00587	1.7
59.01379	40.2
62.37621	0.4
67.01889	27.0
68.02225	0.6
68.99816	22.5
69.03471	0.7
71.01381	23.8
72.99297	1.9
73.02944	1.7
75.00877	1.5
81.03464	2.5
83.01389	1.2
83.04992	0.6
84.02131	0.6
85.02948	3.9
87.00890	1.0
89.02444	27.1
90.02765	0.7
93.03454	1.8
95.01398	1.8
95.05029	0.6
97.02946	0.9
99.00906	0.6
99.04520	3.3
101.02443	62.2
102.02775	1.7
105.03466	3.1
107.01360	0.7
107.05032	2.0
109.02223	0.8
109.02951	13.1
110.03288	0.5
111.00877	3.6
111.04530	0.9
112.01672	1.3
113.02457	9.1
116.16667	0.4
117.03469	3.9
119.03503	12.8
119.04965	3.3
121.02951	13.4
121.06590	0.5
123.04521	4.2
123.68025	0.4
125.02436	0.5
127.04012	100.0
128.04340	3.1
131.03496	1.4
133.02951	7.7
133.06590	1.5
134.03619	0.5
135.04544	3.2
137.02458	1.8
137.06094	1.8
139.04012	1.2
143.03499	3.7
145.02957	5.4
147.04538	1.3
149.02405	3.6
149.04582	0.9
149.06020	0.6
151.03983	2.3
153.05577	1.2
161.02441	12.4
161.04550	1.1
162.02898	0.4
163.03972	2.8
164.04596	0.4
165.01965	0.9
165.05559	3.5
167.03525	0.8
169.04897	0.6
173.02438	1.9
177.05556	6.9
179.03508	1.1
179.05591	3.7
181.05087	1.7
191.03500	14.7
192.03763	1.1
193.05040	16.1
194.05357	1.2
195.06657	3.3
197.04601	1.5
198.80281	0.4
205.05037	5.1
205.06873	0.6
206.05333	0.5
209.04510	2.2
211.63304	0.5
219.06328	0.4
223.06093	17.0
224.06401	0.7
233.04526	0.6
241.07172	61.2
242.07489	3.8
265.07153	0.9
283.08249	1.4
319.95062	0.5
329.77008	0.5
343.10361	0.6
371.09818	3.6
403.12411	16.0
404.12878	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1245
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
51.09178	0.4
57.03426	0.5
58.00594	1.4
59.01379	31.8
66.27587	0.5
67.01891	16.6
68.99817	15.9
69.03461	0.8
71.01380	22.0
72.99299	1.5
73.02946	1.5
75.00868	1.5
79.73758	0.5
81.03467	2.0
83.01388	1.1
85.02946	3.8
87.00891	1.3
88.87919	0.5
89.02446	26.9
93.03464	1.3
95.01387	1.6
95.05019	0.8
97.02929	1.1
99.04498	2.8
101.02443	59.3
102.02810	1.6
103.29899	0.4
105.03468	1.2
107.05029	1.0
109.02954	11.0
111.00887	3.8
111.04559	0.7
112.01665	1.6
113.02440	7.9
117.03484	2.4
119.03502	11.2
119.05008	2.0
121.02967	12.3
122.03352	0.6
123.04512	3.1
127.04013	100.0
128.04356	3.0
131.03503	1.3
133.02936	5.2
133.06612	2.3
135.04488	2.5
137.02448	1.7
137.06088	1.4
139.03998	1.1
143.03484	4.3
145.02946	4.4
147.04539	1.5
149.02457	2.8
149.04504	0.6
149.06145	0.9
151.04010	1.8
153.74913	0.4
161.02435	13.0
161.04578	1.9
162.02821	1.0
163.04013	2.1
165.01846	0.7
165.05553	3.5
167.03458	1.1
173.02438	2.0
177.05582	7.6
179.03600	1.1
179.05632	3.2
181.05038	2.8
184.59618	0.5
191.03496	16.6
192.03773	1.1
193.05049	15.8
193.06792	0.9
194.05417	1.4
195.06607	3.7
197.04541	1.3
198.05101	0.5
205.05043	5.6
209.04572	1.9
223.06116	16.8
224.06540	0.6
233.04510	0.6
241.07173	60.2
242.07550	4.2
265.07312	0.9
283.08234	0.7
313.09000	0.5
371.09799	3.6
372.10147	0.5
403.12421	15.0
404.12692	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.2
61.98828	100.0
100.58436	3.4
128.20114	3.1
163.11215	6.2
168.79793	3.3
187.83218	3.0
191.40877	3.2
191.64973	2.9
339.23465	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	403.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86089	0.6
58.00594	1.0
59.01105	1.0
59.01387	20.9
59.10650	0.6
64.13287	0.7
67.01897	6.6
68.99822	50.3
69.88902	3.5
70.00157	0.8
71.01385	16.4
72.99318	0.9
73.02940	1.1
75.00868	1.2
81.03439	1.1
83.01373	1.0
85.02953	3.6
87.00857	1.6
89.02448	15.3
90.20743	0.7
91.05531	1.0
93.03468	4.6
95.01402	1.4
96.96039	1.3
97.02979	0.8
99.00891	0.6
99.04533	0.6
101.02448	100.0
102.02781	1.9
107.05050	1.9
109.02963	5.1
113.02463	7.0
117.03453	1.1
119.01396	1.1
119.03516	7.1
119.05025	3.5
121.02962	35.2
122.03273	1.0
123.04556	1.2
127.04016	18.1
128.04478	0.6
131.03479	1.3
133.02962	0.8
134.73726	0.8
135.04530	5.3
136.52145	0.7
136.53163	0.9
137.02502	1.2
137.06100	1.0
139.04056	4.5
143.03546	1.6
145.02960	4.2
147.04498	3.8
149.02406	2.0
151.04034	1.3
161.02435	1.5
161.04512	3.5
163.04002	7.4
165.05557	2.6
177.05585	4.7
179.03465	3.2
179.05620	4.9
191.03491	7.5
193.05128	1.9
195.06602	1.2
196.88695	0.7
205.05058	11.2
223.06117	14.4
234.56297	0.7
241.07251	3.9
283.82126	0.7
301.09271	3.2
311.78586	0.7
367.16095	2.5
371.09821	1.0
385.11438	3.1
403.12915	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08331	0.7
55.01871	1.6
57.03449	20.4
57.61255	0.7
58.00592	1.6
59.01383	52.6
61.98831	5.2
69.03454	1.2
71.01385	41.8
72.01721	0.7
72.99312	1.6
73.02953	7.1
75.00874	0.7
78.44128	0.7
80.10535	0.7
83.01391	3.0
83.05045	1.8
85.02953	18.6
86.03265	0.9
87.00871	3.7
89.02449	27.8
93.03463	2.7
95.01398	2.9
95.05032	1.7
96.96024	2.7
97.02952	1.6
99.00867	3.1
101.02444	20.1
107.05047	1.1
108.02162	2.2
109.02950	4.1
111.31018	0.6
113.02459	16.9
114.87984	0.8
119.03509	9.9
119.05005	0.7
120.05819	1.2
120.99654	5.1
121.06571	2.0
121.51657	0.7
123.04539	3.2
123.08169	9.5
131.03488	1.3
133.06554	1.0
135.04538	10.8
135.08144	2.2
137.02415	1.2
139.07666	1.6
141.09221	0.9
143.03516	2.5
147.04504	0.9
148.05296	3.4
149.04550	0.8
149.06053	0.7
149.09709	0.9
151.07651	30.6
151.11209	1.1
152.01132	1.3
152.07974	1.4
153.01952	0.9
159.02995	3.1
160.08934	2.3
161.02463	0.7
161.04573	14.3
161.05920	1.4
161.09714	11.8
163.07661	19.3
164.08133	1.1
165.09201	9.4
168.07921	1.8
173.04520	1.7
173.06041	1.5
173.09721	3.0
175.11324	1.3
177.09222	6.9
179.03383	0.9
179.05618	4.2
179.07112	1.1
179.10776	18.7
180.11162	0.8
187.07629	2.9
188.08434	10.0
189.08771	0.9
191.05589	14.0
191.07156	1.1
191.10648	1.0
192.05977	1.4
193.12386	1.2
203.10782	74.1
204.11047	4.3
221.11829	100.0
222.12180	6.5
284.74545	0.8
341.10986	6.1
366.16797	0.9
383.17075	1.4
400.60727	0.9
401.10858	3.5
401.18781	0.7
401.61472	0.7
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
55.01869	1.1
57.03452	23.8
58.00591	1.5
59.01382	62.8
61.98828	4.5
63.66763	1.2
63.92517	0.8
69.03459	1.6
70.08668	0.8
71.01385	45.2
72.99310	1.8
73.02954	6.5
74.02471	1.4
75.00847	1.5
81.03477	1.4
83.01379	2.6
83.04995	2.0
85.02947	18.2
87.00858	3.5
89.01924	1.7
89.02452	26.2
93.03448	3.5
95.01388	3.0
95.05032	1.6
96.96001	2.7
97.02922	2.6
99.00874	3.6
101.02447	23.8
101.05740	0.9
107.05046	1.4
108.02158	2.2
109.02952	3.5
109.06635	0.9
113.02454	15.7
115.05156	0.9
119.03516	10.7
119.05007	1.8
119.08688	1.2
120.99666	5.3
121.06578	2.6
123.04504	3.0
123.08178	9.8
125.02362	1.1
131.03566	1.3
133.06578	1.1
135.04526	9.5
135.08220	2.1
137.02435	1.3
137.15891	0.7
139.07642	1.6
142.30721	0.9
143.03491	2.8
147.04532	1.7
148.05312	2.7
149.04521	1.1
149.09662	0.8
151.07660	31.7
152.01100	1.3
152.07950	1.0
156.24994	0.8
159.03021	1.1
160.08922	3.4
161.04575	14.2
161.05898	1.6
161.09729	11.6
163.07646	22.9
164.04689	1.0
164.08260	1.6
165.09235	11.1
168.07880	2.3
173.04527	2.2
173.09698	3.6
177.09196	5.3
179.03503	1.1
179.05617	4.4
179.07178	2.0
179.09149	1.0
179.10762	19.0
180.11028	1.1
187.07629	2.4
188.08418	10.5
189.08919	1.3
191.05603	16.0
191.10802	1.0
192.05962	3.0
193.12367	1.3
203.10779	75.4
204.11104	5.7
211.34962	1.0
221.11833	100.0
222.12181	6.6
341.10815	5.1
401.11035	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03452	23.8
58.00591	1.5
59.01382	62.8
61.98828	4.5
63.66763	1.2
63.92517	0.8
69.03459	1.6
70.08668	0.8
71.01385	45.2
72.99310	1.8
73.02954	6.5
74.02471	1.4
75.00847	1.5
81.03477	1.4
83.01379	2.6
83.04995	2.0
85.02947	18.2
87.00858	3.5
89.01924	1.7
89.02452	26.2
93.03448	3.5
95.01388	3.0
95.05032	1.6
96.96001	2.7
97.02922	2.6
99.00874	3.6
101.02447	23.8
101.05740	0.9
107.05046	1.4
108.02158	2.2
109.02952	3.5
109.06635	0.9
113.02454	15.7
115.05156	0.9
119.03516	10.7
119.05007	1.8
119.08688	1.2
120.99666	5.3
121.06578	2.6
123.04504	3.0
123.08178	9.8
125.02362	1.1
131.03566	1.3
133.06578	1.1
135.04526	9.5
135.08220	2.1
137.02435	1.3
137.15891	0.7
139.07642	1.6
142.30721	0.9
143.03491	2.8
147.04532	1.7
148.05312	2.7
149.04521	1.1
149.09662	0.8
151.07660	31.7
152.01100	1.3
152.07950	1.0
156.24994	0.8
159.03021	1.1
160.08922	3.4
161.04575	14.2
161.05898	1.6
161.09729	11.6
163.07646	22.9
164.04689	1.0
164.08260	1.6
165.09235	11.1
168.07880	2.3
173.04527	2.2
173.09698	3.6
177.09196	5.3
179.03503	1.1
179.05617	4.4
179.07178	2.0
179.09149	1.0
179.10762	19.0
180.11028	1.1
187.07629	2.4
188.08418	10.5
189.08919	1.3
191.05603	16.0
191.10802	1.0
192.05962	3.0
193.12367	1.3
203.10779	75.4
204.11104	5.7
211.34962	1.0
221.11833	100.0
222.12181	6.6
341.10815	5.1
401.11035	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	2.3
59.01378	63.8
69.47958	11.7
69.48347	3.1
71.01383	44.7
71.16685	1.4
72.56000	1.5
72.99306	1.9
74.68235	1.5
85.02937	6.5
87.00870	4.9
89.02442	58.1
89.59904	1.7
101.02440	21.7
108.18480	1.7
113.02444	15.7
119.03492	19.5
131.03522	2.6
143.03477	4.6
149.04477	1.8
161.04478	3.4
173.94495	1.6
174.25485	1.5
179.05602	20.9
191.05557	6.5
341.10846	100.0
342.11096	4.2
351.73874	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1451
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01881	7.1
57.03454	6.1
58.00610	1.3
59.01381	41.9
61.95753	0.9
68.54790	0.8
68.99811	0.9
69.03454	1.3
69.46451	0.8
69.49951	5.4
71.01382	85.3
72.99310	2.7
73.02949	34.8
75.00874	1.0
81.03446	0.9
83.01385	13.2
85.02954	38.4
86.03288	1.0
87.00861	4.8
89.02441	13.1
91.31173	0.7
95.01398	6.4
97.02952	3.6
98.20767	0.8
99.00883	12.9
101.02445	68.8
111.00861	1.1
113.02457	27.6
113.03253	1.4
115.04008	2.3
120.99630	1.3
125.02470	6.6
129.01926	2.3
131.03508	3.0
143.03545	4.3
149.04558	2.2
159.02968	6.6
161.04553	46.2
162.04959	1.2
191.05624	3.5
196.43190	0.8
200.98695	0.8
233.06725	4.7
269.10303	100.0
270.10632	5.8
272.76343	0.9
293.08780	2.6
401.14523	68.7
402.14832	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	401.109
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
54.32269	0.6
57.11439	0.6
58.52629	0.6
58.90319	0.5
59.01387	12.8
63.05249	0.6
68.99819	47.0
71.01373	9.3
75.85861	0.6
77.05289	0.7
81.65578	0.6
83.01403	0.6
85.02966	1.4
89.02442	6.5
89.02869	0.7
89.03947	0.7
93.03464	15.1
95.01387	1.1
99.00897	0.7
101.02448	100.0
102.02797	1.8
105.03423	1.0
106.04271	0.7
107.05042	8.4
112.95523	0.6
113.02467	1.8
117.03432	3.3
117.31976	0.6
119.03520	2.5
119.05045	2.0
121.02965	2.6
121.06588	1.2
127.09060	0.6
133.02962	3.0
135.04535	11.6
137.02446	7.7
145.02945	1.2
149.02467	0.7
149.06085	1.3
151.03995	2.6
153.05502	0.7
161.02460	1.3
162.03232	1.6
163.03993	3.8
177.05574	4.4
195.06628	58.3
196.06927	2.9
197.04590	1.0
207.03006	1.5
221.04605	4.3
239.05597	12.0
290.30569	0.6
325.09473	1.1
357.11966	1.0
401.10870	22.7
402.11154	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52303	3.2
57.03434	7.8
59.01375	14.1
59.70055	2.7
61.98807	3.3
64.80959	2.4
65.00311	4.2
68.99818	33.6
71.01377	14.1
77.21119	2.6
83.01377	4.4
85.02946	12.2
87.00880	11.3
89.02425	4.0
93.03451	31.7
99.00909	3.6
101.02436	32.4
105.03462	3.7
107.01370	2.7
111.04510	7.5
113.02441	6.5
117.01896	3.8
117.03456	9.3
119.05018	3.5
123.04526	13.2
124.01709	5.5
125.02444	37.2
127.04039	3.0
131.05226	2.4
133.02927	10.9
135.04544	8.8
137.02440	4.5
145.02933	12.1
147.04463	3.0
148.01674	14.6
149.06035	8.4
151.00377	12.9
152.01144	6.2
153.01923	5.2
161.02478	22.5
173.04523	18.6
175.04051	3.1
176.01160	5.1
177.05585	6.5
177.06985	3.2
178.02708	33.2
178.99814	10.4
179.03293	4.8
179.07182	6.4
189.07054	3.5
191.05615	100.0
192.05818	2.8
193.04973	10.7
193.06523	6.7
195.04604	5.0
195.06584	7.6
197.05963	3.1
204.05786	9.1
205.05020	16.1
205.06630	7.4
206.02245	4.5
206.07196	3.7
207.04507	5.1
207.06395	3.9
207.08165	4.2
208.05316	3.0
209.06020	8.2
216.04192	3.5
217.06544	8.2
219.04469	8.7
220.05150	7.8
221.06055	16.1
222.06680	5.4
223.07573	6.4
224.04752	3.1
225.05626	4.1
229.08699	4.7
232.05296	4.7
233.06128	20.0
234.06726	9.9
235.03993	10.1
235.07603	6.7
236.04652	4.3
237.05605	4.9
238.06322	4.2
239.07065	5.5
245.06107	12.7
247.07585	6.9
247.35353	2.7
248.04779	6.4
249.05568	21.5
250.06201	3.5
251.07083	11.6
253.08661	7.1
261.05521	22.4
262.06268	12.5
263.03513	3.9
263.07086	17.2
264.07773	6.1
265.05109	7.1
265.08612	7.4
267.06570	7.9
273.07788	28.6
275.07095	10.9
276.07635	3.4
277.05182	6.1
277.08542	11.1
278.05768	4.6
279.06573	15.5
281.08206	7.2
289.05084	16.5
290.05777	8.3
291.06595	21.6
292.07281	8.7
293.04871	5.9
293.08163	23.6
294.05197	4.8
295.06000	9.4
295.09625	4.7
296.07086	3.1
297.07727	2.8
303.06583	4.9
305.04532	5.9
305.08203	4.9
307.06021	7.3
308.06946	4.8
309.07700	15.4
311.05530	8.3
312.06372	3.4
317.04434	7.8
319.06082	45.5
320.06534	8.1
321.07663	20.1
322.04666	8.4
322.08328	7.0
323.09244	9.9
335.05740	4.9
335.09195	10.0
337.07150	42.5
338.04034	2.9
338.07770	5.6
339.05099	4.3
339.08597	7.9
349.07150	89.8
350.07510	11.4
351.08798	21.9
352.09149	5.0
353.10184	13.6
363.08606	13.9
367.08206	29.7
369.09592	4.4
371.11047	5.9
381.09674	19.6
398.59769	3.6
399.10480	16.1
399.19965	6.9
400.10880	5.1
418.65570	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.1
63.96789	0.9
68.99812	17.5
69.49783	7.2
84.02524	1.0
96.96023	6.1
98.19901	2.1
99.00909	5.4
101.02448	7.2
101.03969	1.7
107.77654	0.9
117.03442	4.1
119.05037	10.0
123.04516	1.1
125.02358	1.2
133.02939	2.6
145.02957	48.5
146.03322	2.2
147.04539	1.2
162.03214	1.7
173.02451	1.5
177.05513	3.1
191.03479	1.4
192.04266	3.8
205.05043	100.0
206.05411	5.5
217.06558	3.2
218.07414	1.6
219.08073	2.6
220.05258	1.3
221.06026	1.3
230.07362	1.2
233.06104	1.3
235.03984	3.0
245.06052	8.4
246.06860	7.0
247.07452	3.9
248.04774	1.8
249.05516	4.5
250.06255	1.4
260.79510	1.1
261.05542	1.2
261.09085	2.5
263.07074	1.4
265.08655	1.0
273.05533	3.8
274.06259	3.2
275.07141	2.5
277.05289	2.5
277.08627	9.8
278.05820	1.9
278.08981	1.6
289.08746	2.1
291.06561	1.6
293.08105	1.3
304.07376	1.8
305.08163	19.6
306.08774	2.6
333.07669	48.9
334.07947	4.5
335.09103	1.5
336.06323	1.3
337.10776	13.4
338.11154	1.1
365.10281	18.6
366.10568	4.1
397.12494	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18290	0.4
51.49143	0.3
56.59039	0.3
57.41069	0.3
59.01377	1.9
61.98832	6.0
69.86129	1.9
71.01386	1.3
72.99303	0.6
75.00918	0.4
76.76682	0.4
79.95752	2.0
80.96521	1.3
85.02959	0.8
87.00902	0.4
87.30456	0.4
89.02440	0.6
96.96017	84.8
101.02437	1.9
104.59312	0.4
107.95909	0.3
113.02426	0.9
116.00065	0.4
122.97523	0.5
138.97096	0.4
148.04054	0.6
150.97050	0.9
152.98666	0.8
180.98090	3.0
191.05676	0.8
236.46999	0.4
241.00276	5.0
378.88419	0.4
397.11716	100.0
398.12103	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	395.1921
Annotation	Creoside IV
Peak:m/z	Relative Intensity
51.56282	0.3
55.01881	4.5
57.03446	4.7
58.00583	1.1
59.01379	31.2
61.98826	1.5
66.71010	0.3
69.03452	1.2
71.01384	48.5
71.55698	0.5
71.56100	0.4
72.01694	0.3
72.99308	2.6
73.02949	30.3
74.03300	0.4
75.00872	1.6
77.23615	0.4
78.95901	1.1
81.03475	0.7
83.01387	12.3
83.05042	0.6
84.53507	0.3
85.02952	27.3
86.00096	1.6
87.00882	3.8
89.02444	9.7
93.03473	0.5
95.01382	3.9
95.05056	0.4
96.90897	0.3
96.96003	0.7
97.02952	2.8
99.00879	11.5
99.04529	0.6
99.08176	0.5
101.02445	56.6
101.09716	1.0
102.02777	0.9
110.98527	1.1
111.00896	2.0
113.02452	20.0
114.02771	0.5
115.04027	2.0
119.03493	0.6
125.02442	3.4
129.01967	1.1
131.03519	3.0
135.04559	0.5
143.03474	2.4
149.04573	1.0
158.55362	0.4
159.02983	3.7
161.04558	17.4
162.04878	0.4
163.11285	0.6
167.01129	0.6
171.10263	0.7
173.04607	0.5
181.66544	0.4
185.02217	0.4
191.05666	2.7
205.03522	0.5
209.11852	7.9
227.12933	1.9
233.06613	2.4
263.14987	100.0
264.15317	7.1
293.08759	1.1
307.14053	0.9
395.19202	85.4
396.14658	0.6
396.19571	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	395.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03445	1.4
59.01384	3.4
63.44942	0.4
69.24368	3.3
69.24770	0.6
70.51339	0.4
71.01381	4.7
72.99318	0.9
75.00876	1.2
79.95732	4.0
80.96521	1.4
85.02944	6.1
89.02434	1.5
95.95246	1.5
96.96011	100.0
98.19913	0.8
99.00884	2.8
101.02430	0.7
101.56467	0.5
105.61608	0.4
115.04005	0.5
129.01933	2.9
138.97075	1.7
150.96989	0.8
152.98672	1.4
154.98526	0.4
164.98676	0.4
168.98160	1.6
176.98595	1.1
177.04057	6.8
194.99739	1.0
213.00867	0.8
241.00256	1.4
248.25162	0.5
256.99728	28.9
258.00043	1.0
322.25934	0.4
395.13782	89.7
396.14090	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	395.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56282	0.3
55.01881	4.5
57.03446	4.7
58.00583	1.1
59.01379	31.2
61.98826	1.5
66.71010	0.3
69.03452	1.2
71.01384	48.5
71.55698	0.5
71.56100	0.4
72.01694	0.3
72.99308	2.6
73.02949	30.3
74.03300	0.4
75.00872	1.6
77.23615	0.4
78.95901	1.1
81.03475	0.7
83.01387	12.3
83.05042	0.6
84.53507	0.3
85.02952	27.3
86.00096	1.6
87.00882	3.8
89.02444	9.7
93.03473	0.5
95.01382	3.9
95.05056	0.4
96.90897	0.3
96.96003	0.7
97.02952	2.8
99.00879	11.5
99.04529	0.6
99.08176	0.5
101.02445	56.6
101.09716	1.0
102.02777	0.9
110.98527	1.1
111.00896	2.0
113.02452	20.0
114.02771	0.5
115.04027	2.0
119.03493	0.6
125.02442	3.4
129.01967	1.1
131.03519	3.0
135.04559	0.5
143.03474	2.4
149.04573	1.0
158.55362	0.4
159.02983	3.7
161.04558	17.4
162.04878	0.4
163.11285	0.6
167.01129	0.6
171.10263	0.7
173.04607	0.5
181.66544	0.4
185.02217	0.4
191.05666	2.7
205.03522	0.5
209.11852	7.9
227.12933	1.9
233.06613	2.4
263.14987	100.0
264.15317	7.1
293.08759	1.1
307.14053	0.9
395.19202	85.4
396.14658	0.6
396.19571	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	395.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01377	2.6
69.39548	3.1
70.72359	0.5
71.01373	4.1
72.99332	0.5
75.00877	1.1
79.95736	4.1
80.96518	1.4
83.01363	0.6
85.02943	5.1
89.02431	1.1
95.95243	1.5
96.96011	100.0
97.02896	0.5
99.00885	2.2
101.02442	0.6
115.04005	1.6
129.01971	3.7
138.97066	1.1
150.96997	0.8
152.98624	1.0
159.02997	0.5
168.98141	1.9
172.72243	0.4
176.98592	0.9
177.04034	8.5
180.98132	0.6
194.99677	1.4
213.00723	0.6
241.00266	2.5
256.99719	41.1
258.00009	1.4
313.00513	0.4
375.34677	0.4
380.88043	0.5
395.13785	96.0
396.14093	8.5
396.21515	0.5
417.07581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52375	0.4
53.14256	0.4
56.84441	0.4
59.01369	3.4
69.03454	0.8
70.82587	1.1
70.83002	0.5
71.01385	3.7
73.02953	1.8
79.95733	4.2
80.96543	2.9
81.03474	1.5
83.01372	0.8
85.02955	2.9
87.00863	1.3
89.02455	1.5
93.76355	0.4
95.01411	1.8
96.96013	30.9
97.02933	0.5
99.00838	0.8
101.02451	3.6
108.02183	15.0
109.02957	39.5
110.03317	1.0
113.02456	2.1
123.00918	1.3
125.02513	0.7
135.00890	0.7
138.97069	3.0
147.06648	0.5
149.04549	0.5
150.97054	0.9
153.01944	100.0
154.02286	4.1
161.04517	1.2
166.96594	0.7
241.00229	26.1
242.00562	0.8
249.32330	0.5
351.03879	4.9
377.01825	1.3
395.02875	50.0
395.11230	1.3
395.15515	1.7
396.03128	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.3
59.01381	94.9
61.06916	2.1
61.98830	4.1
63.31451	2.1
63.57372	1.9
69.03444	3.8
71.01382	34.8
71.55508	2.2
71.95576	2.2
72.99281	4.8
73.02946	8.8
73.14630	2.0
83.01395	7.8
83.05040	3.3
85.02953	17.3
87.00872	7.1
87.04494	3.7
88.98793	3.3
89.02444	18.0
89.78146	2.2
93.03468	4.6
96.95994	10.2
101.02438	26.7
113.02451	14.0
114.05569	3.0
115.00321	3.5
119.03510	4.5
123.08194	2.8
127.05554	2.7
131.04951	2.0
131.06116	8.9
132.03116	2.6
134.03725	2.3
143.03445	3.5
159.02994	3.5
161.04541	9.0
166.02809	2.8
166.20592	2.3
171.04512	8.1
173.04550	5.9
175.05101	10.1
177.19025	2.1
179.03461	4.9
189.05515	6.3
191.05592	20.7
193.03627	2.5
193.54027	2.6
195.06618	3.9
197.02203	3.4
197.08186	28.2
218.05637	4.4
233.04523	16.9
233.06633	5.0
275.05573	4.2
335.07349	3.5
335.17108	17.7
351.18021	4.0
352.11343	10.2
384.22458	2.5
395.10309	43.1
395.19400	100.0
396.19855	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	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	97.7
60.01718	1.0
64.96204	0.9
68.69975	0.9
69.94137	1.8
69.94539	3.6
71.61977	0.8
78.95904	1.4
83.05041	2.1
93.03448	1.8
104.21837	0.8
109.06573	3.8
110.98604	0.9
135.04504	1.2
159.04570	1.0
161.02457	0.8
163.11275	3.7
165.12775	1.2
166.09338	0.9
181.07114	1.2
181.12292	1.0
191.05612	4.0
207.10246	6.6
209.11839	100.0
210.12097	7.3
216.90382	1.0
225.11319	7.8
227.12892	5.3
237.23074	0.9
273.48352	1.1
393.13083	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	70.9
63.48559	79.0
71.27022	100.0
73.29916	69.8
78.21805	70.6
91.26915	79.3
93.08148	68.1
260.65417	70.2
321.26187	65.7
369.79007	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.4
57.03451	2.9
58.00595	0.8
59.01380	21.2
59.77576	0.3
69.03457	1.3
71.01384	40.8
72.01724	0.7
72.99315	1.3
73.02947	22.8
75.00877	1.6
81.03476	0.6
81.27654	0.4
83.01390	8.1
85.02952	20.4
86.00124	0.6
87.00874	2.3
89.02446	7.0
89.02940	0.6
93.03461	0.6
95.01398	2.9
96.23775	0.4
96.96015	1.8
97.02960	1.9
98.20652	0.9
99.00881	8.4
99.08160	0.9
101.02445	39.4
102.02757	0.8
111.00878	1.2
113.02454	17.7
114.02763	0.9
115.04086	0.7
119.03537	0.6
125.02469	2.3
129.01952	1.0
131.03500	2.1
135.12007	0.4
141.02051	0.4
143.03514	1.6
143.04669	0.6
149.04550	1.3
159.03008	4.3
161.02457	1.0
161.04562	16.5
162.04912	0.5
163.04002	0.9
165.05583	0.7
173.04616	0.9
189.01938	1.9
191.05621	3.8
195.06635	0.4
205.01538	0.4
205.03534	0.4
219.02866	0.6
221.04520	0.7
233.06563	1.0
261.13428	57.5
262.13782	3.8
293.08875	0.6
305.12558	0.6
393.17651	100.0
394.18021	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	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93603	0.6
55.01877	0.7
57.03455	0.8
58.00595	3.1
59.01382	87.8
60.01711	1.0
61.98845	0.8
62.70498	0.5
65.88210	0.6
69.36805	1.2
69.37217	4.2
71.01385	59.2
72.01733	0.7
72.99305	3.2
73.02322	0.7
73.02950	16.1
75.00870	0.7
83.01408	2.1
85.02951	8.3
87.00892	2.3
89.02448	100.0
90.02831	1.6
95.01401	2.4
97.02950	1.6
98.20594	1.4
99.00887	23.8
99.04513	0.9
101.02448	38.5
113.02457	16.9
115.04008	0.8
119.03502	15.7
119.04328	1.1
124.45313	0.6
125.02467	5.1
131.03505	14.2
132.03911	0.8
143.03494	4.1
149.04562	56.1
150.04909	1.0
158.28638	0.6
161.04565	4.5
179.05629	7.2
191.05615	15.0
221.06665	2.7
223.14120	0.6
233.06607	0.9
251.07700	3.9
261.13449	2.8
293.08688	1.1
333.19144	0.8
358.57462	0.5
393.17642	30.5
394.17975	2.6
406.35025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93694	0.5
57.38101	0.5
59.01391	4.1
61.98830	100.0
73.47041	0.7
79.05143	0.6
104.26865	0.6
142.92009	0.6
211.96277	0.6
226.13936	0.6
228.98703	0.9
343.44855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.5
57.03463	3.0
59.01379	40.8
60.01717	1.4
61.98825	3.3
71.01387	37.4
71.25602	1.6
72.99323	2.3
73.02951	14.0
73.18862	1.5
80.96526	1.7
83.01392	6.0
84.00030	1.3
85.02953	25.7
86.00114	2.0
87.00877	3.2
89.02458	6.7
93.03455	5.1
95.01411	4.1
96.96017	42.3
97.02943	1.6
99.00897	6.6
101.02444	34.6
108.04514	2.0
111.00877	2.0
113.01823	1.8
113.02467	20.4
120.99641	1.5
125.02476	2.2
133.02937	3.4
134.03764	1.8
135.04420	1.9
137.02359	1.4
143.03427	1.8
145.02953	2.5
147.04478	1.7
152.01134	2.9
159.03052	3.5
159.04416	2.2
161.02467	18.0
161.04530	19.1
163.04018	23.6
164.04367	1.7
165.01852	4.2
167.03490	4.0
171.10208	1.4
173.02444	2.2
173.04562	2.8
175.04016	5.0
177.05530	3.2
179.03500	2.2
180.04318	2.5
189.01938	38.8
190.02274	3.3
191.05627	16.0
191.07179	2.4
193.05023	2.5
194.02226	2.0
195.06621	4.5
209.11819	1.4
219.03023	2.0
221.04536	12.3
225.07600	3.5
235.06071	3.0
242.12683	1.6
247.02597	1.4
261.13425	100.0
262.13742	5.5
265.03500	5.8
273.11612	11.8
306.38483	1.4
333.15649	9.9
355.10608	2.3
393.06979	27.1
393.13016	16.6
393.17743	22.8
394.12915	1.8
394.17889	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	391.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98838	4.3
64.75619	1.6
69.03453	6.1
71.01375	4.2
71.05015	4.8
71.16522	3.5
79.17252	1.7
83.04998	1.6
89.02467	4.9
97.06625	2.3
100.37541	1.8
101.02430	2.5
111.08157	7.8
123.08167	3.5
137.09723	7.3
146.00551	1.9
147.11809	2.6
157.47997	1.6
161.04547	2.0
165.12869	3.0
171.10240	12.8
171.52763	1.5
185.12041	1.9
197.11832	28.5
198.12175	1.6
201.86559	1.7
202.12939	1.6
202.80484	2.1
209.15445	2.3
211.13429	2.2
215.10445	4.7
219.10071	2.6
223.16910	1.7
233.11562	46.0
234.11865	2.2
251.16479	4.3
273.18683	2.7
291.19711	18.7
293.12451	7.7
309.20660	36.7
310.21118	4.3
313.17773	5.1
331.18393	5.2
343.39551	1.9
391.03583	2.3
391.20978	18.1
391.26410	40.8
392.22055	1.9
392.26617	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	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.9
59.01379	100.0
69.03474	1.9
71.01370	3.0
71.23559	2.4
80.91671	2.9
101.02411	2.6
111.08170	27.4
113.02564	1.8
119.03516	3.0
151.11261	3.6
161.04591	2.4
162.03197	3.2
165.12804	3.8
169.12431	4.0
197.11836	57.8
198.12163	3.5
201.05620	3.8
211.13335	4.8
211.15305	1.9
219.10020	62.1
220.10385	3.9
233.11618	22.9
249.13486	3.7
251.11348	4.2
252.11444	1.7
263.20074	2.8
291.19672	12.4
293.12570	9.4
309.20737	55.2
310.21072	5.2
331.18912	24.0
332.19138	3.8
375.17676	3.7
391.20364	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	391.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03439	0.6
58.00593	0.5
59.01381	100.0
60.01727	1.2
69.52975	3.0
70.36299	0.4
71.01386	7.9
73.02956	1.1
82.95432	1.1
83.01392	1.0
85.02954	3.8
87.00886	0.8
89.02445	8.5
93.03473	1.1
99.00912	0.9
101.02454	5.0
105.51967	0.5
113.02454	3.2
113.40575	0.6
119.03510	2.8
120.99664	1.0
121.02962	1.7
127.04038	0.6
132.02188	2.4
134.03740	2.5
135.04535	1.7
137.02492	0.5
143.03535	0.6
149.06067	1.1
160.01663	12.4
161.02145	0.5
161.04579	1.6
175.04008	23.8
176.04401	1.3
179.03546	0.5
179.05634	3.2
180.06664	0.8
191.05652	5.7
191.07214	0.9
193.05061	5.8
209.04630	1.6
217.05130	1.7
235.06244	1.0
347.12881	0.7
347.17093	4.5
355.10333	11.7
391.12244	1.9
391.16406	5.0
392.17142	0.7
392.21930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01380	9.0
61.98820	0.9
71.01380	1.6
71.05016	0.4
71.55532	0.4
73.02933	0.4
80.02679	1.7
81.03454	1.4
83.05025	4.8
84.02176	1.6
85.02948	0.7
89.02464	0.8
93.03464	0.7
95.05006	0.9
101.02452	1.1
109.70327	0.3
113.02473	0.7
125.06060	0.9
130.32933	0.3
135.04672	0.3
135.08150	0.7
135.98257	0.5
161.02493	0.5
161.04576	0.6
163.11295	3.8
165.12872	2.4
173.04622	0.4
181.07280	0.8
181.12413	0.6
191.05643	2.5
191.10736	1.4
209.11829	100.0
210.12169	6.7
227.12881	40.3
228.13144	2.5
254.66927	0.3
353.08652	0.4
357.14398	0.5
391.11755	1.3
391.19574	1.5
391.26981	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03440	1.2
58.00588	1.1
59.01377	34.4
67.00098	0.7
69.03476	0.7
71.01376	18.0
72.99296	1.0
81.03452	4.0
83.01391	1.3
83.05016	6.0
85.02948	8.9
87.00883	0.9
89.02438	19.9
92.93491	0.6
95.05007	0.8
95.77689	0.6
97.02937	1.7
98.19935	1.9
99.00874	0.7
99.04504	0.9
101.02427	10.2
107.05007	2.9
109.02952	7.4
113.02435	5.8
119.03493	7.9
119.04960	1.7
121.06602	7.8
123.04528	5.9
127.04015	6.5
131.05037	2.3
134.03770	1.5
141.05605	0.8
149.06079	12.2
150.06407	0.7
161.04530	1.3
167.03468	2.9
167.07129	15.1
172.32941	0.6
179.05614	1.6
185.08176	11.8
193.05121	3.1
211.06093	4.2
216.22270	0.6
228.40689	0.6
229.07175	12.3
229.09299	0.6
260.94565	0.7
391.12424	100.0
392.12665	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	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42365	0.7
59.01378	100.0
69.03458	0.9
70.49220	2.1
76.13364	0.7
79.95760	1.6
80.96506	6.5
91.56033	0.7
94.98067	1.7
122.97595	0.7
142.30495	0.6
157.53603	0.6
164.98653	0.8
177.06917	0.6
179.10703	1.0
193.83093	0.6
197.11926	2.3
225.00844	2.3
237.22223	1.5
255.23277	3.4
299.04459	2.1
389.19092	7.1
389.69421	2.3
390.20016	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01690	0.8
65.02317	0.6
105.39402	0.6
389.18976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41603	1.0
53.58014	0.9
59.01381	100.0
69.03455	2.3
70.80978	2.3
71.01376	2.7
79.95744	4.9
80.96523	14.3
94.98084	2.9
108.85507	1.0
148.99124	1.5
152.04938	1.0
152.98590	2.0
164.98631	2.5
171.01753	1.0
175.17029	1.0
179.10814	2.0
192.67398	1.1
197.11824	7.2
199.13318	1.3
225.00706	4.1
237.22269	4.6
255.23279	11.3
256.23669	1.4
297.52173	1.1
299.04373	6.6
300.37775	0.9
307.22623	1.7
389.19110	20.1
389.69159	7.9
390.19937	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21870	0.6
50.71661	0.7
59.01377	6.1
61.98831	100.0
66.40932	0.6
75.80687	0.6
96.96065	0.6
108.02190	0.6
150.88464	0.6
154.59525	0.7
187.16565	0.6
389.70801	0.8
391.25229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.93186	0.7
59.01380	22.6
61.98822	6.4
64.68056	0.8
71.01390	4.9
71.55338	0.7
78.95878	1.8
82.95467	1.1
83.05030	1.0
85.02940	2.5
87.00881	1.5
89.02436	3.5
93.03445	1.5
93.42957	0.7
96.96011	3.6
97.06595	6.6
99.00829	1.0
101.02448	3.2
113.02452	2.3
119.03547	1.0
120.99670	3.6
121.02946	3.0
123.04511	2.2
126.39006	0.7
127.03992	0.9
133.02959	1.5
134.03738	46.3
135.04282	1.3
137.02452	4.8
139.04079	1.8
141.05582	7.1
149.06062	17.7
150.06441	1.1
161.02493	0.9
161.04576	1.9
167.03491	0.8
167.07141	1.1
168.23894	0.7
173.04509	1.1
178.02711	26.0
179.03328	1.5
191.05603	4.2
193.05043	100.0
194.05380	5.3
209.04546	1.8
255.08870	2.2
267.11261	1.5
271.05643	0.8
285.12427	1.1
346.05557	0.9
355.10312	8.1
371.48782	0.8
373.14758	1.0
391.07639	1.8
391.12363	2.8
391.16119	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	389.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	91.6
60.77777	3.8
71.01382	5.6
80.96531	4.7
85.02930	4.5
97.06618	4.1
98.19870	10.5
99.08155	6.7
100.35951	4.1
129.09200	12.5
143.10823	5.3
187.68147	4.0
188.38750	5.1
209.11911	4.5
237.18549	8.0
257.21140	6.8
257.79990	4.0
285.20630	22.1
303.21805	100.0
304.22217	10.8
345.22839	37.7
346.23111	5.6
389.05371	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17336	14.4
57.51006	16.4
58.65748	12.5
59.01385	16.2
69.37609	73.4
69.38050	57.4
77.34759	14.0
80.96516	59.4
82.35029	13.5
82.57387	14.7
94.98119	19.7
102.39111	14.1
108.08376	14.0
123.73524	13.4
179.10881	14.1
197.11726	25.9
225.00694	28.1
237.22209	27.5
255.23283	55.4
389.19199	100.0
389.69278	48.5
390.19836	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	389.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	8.2
56.02908	0.3
57.03452	5.3
58.00597	2.4
59.01383	49.8
68.99831	0.5
69.03466	0.8
69.40481	2.5
71.01386	100.0
72.01729	1.7
72.99314	3.4
73.02953	34.0
74.03300	0.7
75.00870	1.9
81.03467	0.7
83.01395	15.1
84.02184	0.7
85.02955	45.9
86.00095	0.6
86.03292	0.9
86.48075	0.3
87.00873	4.3
89.02450	20.2
90.02789	0.4
93.03471	0.9
95.01395	6.7
96.01782	0.3
96.96009	0.4
97.02961	2.4
98.03253	0.3
98.20649	0.6
99.00887	13.1
99.04504	0.4
101.02450	79.7
102.02773	1.8
111.00901	1.4
112.01682	0.6
113.02457	42.5
114.02811	1.2
115.04006	0.3
119.02651	0.5
119.03510	8.0
122.06139	0.4
124.94691	0.3
125.02462	2.1
129.01945	2.0
131.03505	0.9
131.08682	0.9
135.04483	0.5
137.02478	0.8
139.00499	0.4
143.03505	5.8
146.06128	1.0
147.11800	3.9
148.12122	0.3
149.04491	0.7
159.03004	10.4
160.03426	0.4
161.04562	57.5
162.04892	2.4
165.12836	0.4
173.04555	0.7
173.05954	0.5
179.05605	2.6
191.05629	2.4
192.04210	0.4
197.15463	0.4
205.03482	1.4
205.07298	0.4
209.15440	0.5
217.08635	0.3
219.06464	0.3
227.16550	3.1
231.06569	0.5
237.06342	0.5
246.16945	0.3
251.05659	0.6
293.06723	0.8
327.09665	0.3
327.13461	0.6
335.65866	0.4
353.08755	2.1
371.20694	0.5
389.21835	79.3
390.17352	0.5
390.22174	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	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01872	0.6
59.01385	54.9
60.01716	0.8
67.01877	0.5
69.42796	3.0
71.01388	8.0
73.02945	2.9
83.01403	1.8
85.02959	5.6
87.00892	1.3
87.54813	0.4
89.02441	3.6
93.03461	3.3
99.00856	0.7
101.02442	8.8
111.04561	0.7
113.02454	3.5
119.03531	1.5
135.04561	3.0
135.83295	0.4
143.03461	0.4
161.04568	0.7
173.04527	5.0
179.03525	0.9
191.05608	17.3
300.83597	0.5
308.17923	0.4
353.08850	5.9
354.09125	0.4
364.95117	0.5
371.17093	1.0
389.18176	100.0
390.18518	10.5
390.23563	0.6
406.90265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.0
59.01104	6.1
59.01382	84.5
61.98814	5.7
63.25391	2.8
64.80215	3.1
67.01887	4.1
71.55392	4.2
80.02681	3.5
80.91728	3.4
81.03448	4.8
83.01392	10.0
83.05042	5.6
94.77045	3.0
95.05006	4.0
97.02920	4.5
97.06575	10.9
97.86511	3.0
109.03019	3.3
123.04528	11.6
123.08173	6.5
125.09720	21.3
137.09711	13.8
141.12762	3.5
159.60609	3.0
163.11301	21.9
167.10823	3.6
176.15117	3.3
177.12773	4.3
185.11812	15.2
191.10762	6.1
191.14478	16.4
207.10318	18.3
209.11836	89.7
210.12106	4.0
225.11320	8.0
231.09979	63.8
232.10349	5.5
245.19099	34.4
246.19432	4.7
263.20300	3.4
271.16913	5.7
276.16241	3.0
289.18109	100.0
290.18533	7.8
307.19141	68.3
308.19489	7.4
315.25381	7.4
317.17252	6.8
320.03333	3.3
329.17459	16.8
389.19247	19.1
389.27118	44.1
390.27573	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	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01878	0.4
57.03450	0.5
59.01385	2.4
70.34978	0.8
70.37915	0.2
71.01389	4.1
73.02946	1.3
73.45034	0.2
80.02665	1.6
81.03452	2.0
83.01374	0.7
83.05030	6.1
84.02176	1.7
85.02944	1.9
87.00878	0.6
89.02448	0.9
93.03479	0.5
95.01369	0.4
95.05033	1.0
99.00888	0.5
101.02431	2.5
109.06621	0.3
111.04478	0.3
113.02451	1.4
116.92885	0.4
121.01597	0.3
125.06062	0.8
125.09762	0.4
135.08182	0.9
147.11798	0.4
161.04532	0.4
163.10065	0.4
163.11310	5.0
164.11624	0.3
165.12863	3.2
166.13148	0.3
181.12300	0.6
183.92444	0.3
191.05574	0.5
191.10738	1.2
209.11829	100.0
210.12163	6.3
225.11263	0.5
227.12895	32.2
228.13225	2.2
229.14420	0.3
233.11717	0.5
308.87778	0.2
389.18176	30.5
390.18411	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	389.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
57.17914	0.4
58.99604	11.4
59.01377	12.1
59.88816	0.4
61.01185	0.9
71.01389	2.4
74.99101	0.8
76.29542	0.4
85.02924	0.5
87.00876	19.5
87.02743	3.9
88.01192	0.5
98.20752	0.8
102.98602	11.6
103.02233	5.0
105.03796	100.0
106.04153	1.9
113.02500	0.4
120.80805	0.5
121.09319	0.4
129.01949	5.7
141.07460	3.7
161.02481	0.4
163.11220	0.5
167.05417	0.4
179.08980	1.1
195.13884	0.5
197.10060	10.1
215.11032	3.2
223.11635	0.4
241.09007	1.4
241.12720	1.7
259.13715	56.6
260.14063	3.8
285.15216	1.2
301.14694	0.7
329.14206	15.5
330.14539	1.7
347.15292	27.3
347.24231	0.9
348.15619	1.9
389.16357	37.5
390.16785	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	389.109
Annotation	Epikingisidic acid
Peak:m/z	Relative Intensity
55.01876	3.2
57.16393	1.7
59.01385	33.5
63.19162	1.9
65.03969	68.3
67.95462	2.0
68.99828	5.1
69.03462	18.3
69.46375	7.7
69.46806	6.5
71.01391	28.5
73.02962	6.6
78.91798	1.7
83.01385	3.2
85.02947	11.8
87.00912	2.7
89.02451	19.2
93.03472	12.9
95.05038	10.0
98.20609	2.7
99.00871	5.5
101.02444	24.2
106.04230	4.4
107.05063	3.2
113.02448	14.6
119.03500	6.4
119.05005	7.7
121.06604	36.1
122.06915	3.0
139.04024	100.0
139.07616	2.7
140.04266	2.7
144.39948	1.9
147.04605	2.5
148.41394	1.8
161.04543	5.5
165.05573	60.9
183.06636	75.9
184.06856	2.8
209.04541	23.2
227.05557	7.5
244.38837	2.0
273.02560	1.9
293.20660	2.2
345.00729	2.0
345.11908	79.2
346.12152	7.7
389.10892	78.4
390.11148	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11534	1.1
56.84189	1.0
59.01374	8.3
60.72529	0.9
61.98838	5.2
68.82912	0.9
71.01387	2.2
82.95409	4.3
85.02963	6.2
87.00884	1.7
93.03451	3.1
110.23710	1.2
111.04554	1.2
173.04430	1.4
191.05615	100.0
192.05957	3.8
353.08694	11.1
356.45493	1.2
368.53094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1089
Annotation	Epikingisidic acid
Peak:m/z	Relative Intensity
53.04830	1.4
55.01870	1.6
57.03455	2.6
58.00586	2.7
59.01382	68.4
65.03961	6.6
69.03457	3.1
69.54685	6.9
71.01383	36.5
72.99339	2.0
81.03457	8.7
81.22929	1.4
83.01368	1.7
84.02176	1.6
85.02955	17.1
87.00880	2.9
89.02450	36.1
89.47786	1.5
91.05580	2.1
93.03465	6.0
95.01357	2.2
95.05052	2.4
97.02962	3.4
99.04524	14.2
101.02441	23.9
101.63773	1.4
107.05042	5.3
109.02953	3.2
111.04576	7.1
113.02468	11.2
119.03540	14.5
119.05018	13.7
121.02972	15.5
121.06605	4.8
122.03737	2.3
123.04523	2.4
125.02493	3.5
129.01962	1.7
129.03476	6.1
135.04536	13.4
137.06094	17.7
139.04028	29.8
141.02850	1.5
147.04532	27.2
153.05576	2.7
161.04565	1.8
165.05576	43.9
166.05995	1.6
179.05630	1.7
183.06627	48.6
191.03560	7.4
191.05602	46.7
192.06059	1.7
209.04547	68.6
210.04910	4.9
220.94975	2.0
227.05594	25.5
345.11847	3.5
353.08792	3.5
389.10895	100.0
390.11237	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	387.2023
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.01881	2.4
57.03452	3.1
58.00599	2.1
59.01380	56.9
60.01717	0.7
68.99800	0.2
69.03478	0.4
69.26517	1.6
71.01382	38.1
71.05026	0.2
72.01733	0.5
72.99306	2.3
73.02950	6.0
75.00897	0.3
83.01393	4.3
83.05077	0.2
84.02167	0.4
85.02951	13.3
86.03299	0.3
87.00876	2.3
89.02445	30.0
90.02777	0.6
93.03479	0.3
93.95081	0.2
95.01390	3.5
96.96016	3.3
97.02969	0.5
99.00881	2.2
101.02441	30.4
102.02781	0.8
109.06598	0.2
111.00880	0.4
113.02452	15.3
114.02773	0.4
119.03503	13.1
120.03792	0.3
123.08183	0.2
125.02443	0.4
129.01910	0.4
131.03490	0.6
137.09691	1.3
143.03497	1.6
149.04530	0.6
151.07628	0.6
151.11282	0.6
152.08403	1.1
153.12860	0.6
159.02997	1.0
161.04561	4.7
162.04924	0.2
163.11278	0.5
179.05618	2.1
179.14444	0.3
181.05093	0.2
181.12347	0.6
191.05592	0.3
195.13969	1.3
197.15463	1.7
207.13936	1.8
208.14188	0.2
224.25735	0.2
225.14949	16.1
226.15344	0.9
257.64261	0.2
297.17126	0.4
326.33084	0.2
387.20227	100.0
388.20572	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	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98814	51.1
62.30203	44.8
62.88476	36.2
68.82597	41.8
70.83491	98.0
89.59543	42.1
99.60872	50.8
122.59072	42.8
130.63606	49.3
183.05316	41.3
324.74609	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53173	0.3
59.01379	5.4
61.98834	100.0
70.30103	1.6
71.01398	1.1
75.97919	0.3
77.56156	0.3
78.69904	0.3
85.03011	0.5
87.00857	0.4
89.02458	1.8
93.03506	0.4
96.36983	0.4
96.96015	0.9
101.02474	1.2
113.02496	0.6
119.03427	0.5
120.99713	0.4
161.02444	0.4
163.11380	0.4
164.11652	0.8
165.09198	0.4
173.04630	0.4
185.03957	1.0
191.05690	1.1
388.16891	5.9
409.38971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.16125	0.5
55.51823	0.5
57.16641	0.5
58.00601	0.8
59.01382	75.8
60.01704	0.7
66.52551	0.5
68.51163	0.6
69.97662	1.2
69.98055	1.3
71.01385	13.9
72.99294	1.0
83.01372	0.8
85.02954	2.9
87.00923	0.7
89.02444	16.9
95.01383	1.2
101.02442	10.7
109.06584	0.7
113.02454	5.3
119.03518	5.2
131.03473	0.6
147.77798	0.6
163.11288	6.0
183.10750	0.6
207.10249	13.0
208.10634	0.7
225.11351	0.7
387.16605	100.0
388.17004	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	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
58.00599	1.6
59.01382	91.3
60.01704	1.1
60.47156	0.6
70.66914	1.0
70.67230	1.1
71.01389	15.4
72.99335	1.2
83.01394	1.1
85.02949	4.3
88.52811	0.7
89.02447	17.4
95.01408	1.4
101.02452	11.0
113.02466	7.5
119.03503	6.0
160.40422	0.8
161.04575	0.7
163.11290	14.7
169.25975	0.8
179.05708	0.8
207.10329	1.8
350.26077	0.7
387.16611	100.0
388.16895	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	386.182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42163	0.3
57.03447	0.5
59.01377	1.7
61.98831	100.0
65.45451	0.4
70.74377	1.2
71.01378	0.6
78.21497	0.4
96.96008	0.4
106.18739	0.4
121.03009	0.4
133.03014	0.5
151.03972	0.4
161.02466	1.6
179.03470	0.5
203.22876	0.4
207.10228	0.4
305.17618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27910	0.4
55.01888	0.5
58.00601	1.1
59.01383	61.6
60.01729	0.5
68.99808	0.6
70.38887	0.7
70.39240	1.5
71.01385	12.6
72.99317	0.9
73.02949	0.5
82.23925	0.4
83.01415	0.8
85.02963	2.0
89.02450	12.2
91.31911	0.4
91.51122	0.4
95.01388	0.9
101.02448	11.4
113.02444	4.5
117.78392	0.4
119.03490	4.2
135.46265	0.4
163.11308	5.0
207.10260	11.4
225.07585	0.7
387.16614	100.0
388.16986	8.9
389.53186	0.5
392.21091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2749
Annotation	HU-211
Peak:m/z	Relative Intensity
50.14614	0.6
57.03431	0.6
59.01368	4.0
71.01376	1.3
71.02087	0.7
71.02422	1.2
75.87835	0.7
79.65585	0.8
98.24747	0.7
121.02953	0.8
122.43900	0.7
170.16446	0.8
229.64220	0.7
367.26532	1.0
385.27469	100.0
386.27795	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	385.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43533	0.3
55.01876	1.7
57.03449	1.9
58.00602	3.7
59.01382	100.0
60.01717	1.4
61.98842	0.9
67.01895	0.4
68.49145	0.3
70.68462	0.9
71.01385	69.7
72.01717	1.0
72.99314	4.8
73.02950	4.4
75.00887	0.6
79.95749	0.5
83.01387	3.5
85.02954	15.5
87.00869	2.9
89.02448	87.8
90.02798	1.6
95.01401	4.2
96.96016	17.7
97.02965	0.7
99.00887	1.5
99.04528	0.4
101.02449	38.7
102.02787	0.9
107.05030	0.6
113.02458	30.0
114.02796	0.7
119.03511	38.5
120.03828	1.1
121.02954	0.9
123.08147	2.4
125.02455	1.0
125.09708	1.0
131.03496	4.1
135.08162	1.4
137.09604	0.4
143.03514	6.1
144.03770	0.4
147.08194	2.2
149.04559	3.0
149.05627	0.5
153.09221	13.2
154.09605	0.8
159.03001	0.6
161.04578	8.6
163.11299	0.5
165.09183	0.6
179.05624	17.2
180.05927	0.7
180.88364	0.4
185.03854	8.4
187.11285	2.8
189.09085	0.9
190.10013	0.5
191.05560	1.2
203.10808	0.5
205.12355	15.8
206.12651	0.8
223.06018	0.5
223.13425	3.0
233.11908	0.5
241.00058	0.4
247.60484	0.3
269.88641	0.3
273.11685	1.0
367.11417	0.5
385.11566	6.1
385.18478	5.4
385.23996	0.5
386.11798	0.4
386.18930	0.8
394.12656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82473	0.2
55.01875	2.0
57.03450	3.3
58.00598	2.3
59.01381	52.8
60.01720	0.5
67.01897	0.4
68.99818	0.4
69.03464	1.7
71.01382	67.8
71.54967	0.4
72.01707	1.5
72.99310	3.1
73.02946	12.1
75.00877	0.8
81.03480	0.6
83.01383	4.8
83.05035	1.1
83.94201	0.2
84.02157	0.3
85.02952	21.2
86.03295	0.4
87.00877	2.8
87.04543	0.2
89.02446	34.3
90.02776	0.5
93.03448	0.5
95.01389	4.2
95.05033	2.1
96.96001	1.2
97.02950	5.9
98.03267	0.3
99.00881	6.0
101.02445	36.0
102.02776	0.7
105.07098	1.2
107.03519	0.2
107.05035	0.8
108.02132	0.3
108.05825	2.9
109.02965	0.8
109.06584	1.8
111.04542	1.3
111.08144	0.8
113.02451	27.0
113.06085	4.0
114.02790	0.8
115.04060	0.2
119.03504	12.2
121.03000	0.5
121.06625	0.5
122.03730	2.1
123.07295	0.2
123.08159	4.2
124.05311	0.4
125.02479	1.1
125.06079	2.8
128.17860	0.3
129.01961	0.6
131.03523	1.4
135.08173	1.1
136.05290	3.8
137.06088	1.9
138.06868	23.4
139.07668	9.9
140.07970	0.6
143.03516	3.5
147.04552	0.2
147.08171	0.7
149.04646	1.0
149.06065	1.1
151.00360	0.3
151.07649	22.6
152.04852	2.7
152.05737	0.2
152.08432	47.1
153.09213	100.0
154.09552	5.3
159.02985	4.3
161.02429	0.5
161.04555	20.5
161.09755	0.9
162.04883	0.7
163.11272	3.3
164.04626	0.3
165.05588	0.3
165.09225	2.0
167.07152	2.0
178.99814	0.3
179.05626	3.5
179.10791	0.3
185.00874	0.7
187.11272	0.8
189.01891	0.6
189.09209	0.9
190.02705	0.3
190.10001	1.6
191.05652	1.0
203.10649	0.2
205.03477	0.5
205.12329	33.7
206.05859	0.3
206.12657	2.3
223.06084	0.6
223.13388	20.0
224.13722	1.5
231.04073	0.6
255.02954	0.4
256.99905	0.3
265.07144	0.3
271.02472	1.8
284.30133	0.2
299.02194	0.4
300.02692	1.8
301.03302	0.6
304.06934	7.5
304.57166	2.7
305.07208	0.2
325.09271	0.4
385.11676	1.6
385.18655	12.7
386.19260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	1.8
59.01379	24.6
61.98821	5.1
65.07795	1.1
67.01877	6.3
68.99807	4.1
71.01387	17.4
71.05003	3.5
71.63936	1.0
71.78056	1.1
72.99328	2.1
75.00830	1.4
76.42947	1.1
78.18072	1.1
82.21140	1.1
83.01348	1.4
85.02947	4.0
87.00880	3.9
87.04511	2.6
89.02440	20.7
89.02948	2.0
91.19665	1.1
93.03474	1.5
95.01403	1.5
96.30330	1.0
97.02932	1.3
99.00890	16.2
99.04527	14.6
101.02438	16.6
101.06080	4.3
103.68822	1.3
109.02934	2.7
111.00840	1.8
113.02477	6.2
115.04018	9.6
115.07657	6.2
117.05576	8.7
118.53113	1.1
119.03521	9.0
119.05077	1.1
121.02934	3.3
126.63687	1.0
127.04012	22.0
128.04314	1.2
131.03424	1.3
133.02950	2.7
133.06566	1.2
135.04526	1.4
141.01949	3.3
141.05646	1.4
143.03448	1.9
159.06555	1.5
159.79456	1.1
161.02396	3.5
161.04533	3.7
161.08195	100.0
162.08508	3.5
163.03986	1.3
177.05588	2.2
179.05630	13.1
191.03513	3.1
191.05528	2.3
193.04929	2.0
205.04999	1.2
221.04460	1.8
223.06052	2.8
231.80292	1.2
241.07085	5.3
252.43974	1.1
383.10004	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37981	3.2
52.97506	2.8
59.01381	100.0
65.95947	2.9
66.54296	2.8
71.56028	3.5
89.02428	4.2
129.81317	3.2
145.73479	2.8
149.81056	3.1
156.64478	2.9
163.11266	8.6
177.05481	4.2
207.10225	3.8
240.34547	3.1
279.23212	7.4
297.24387	43.8
339.25412	35.7
340.25867	4.2
341.10934	3.4
383.21988	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	383.1136
Annotation	1,3-O-di-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
64.13358	1.1
68.53116	1.2
68.99823	3.8
81.08588	1.2
89.03966	1.9
99.00877	1.6
101.02458	1.7
117.03474	4.9
119.05031	13.1
133.02922	1.4
134.03822	1.8
145.02956	71.8
146.03275	2.4
161.02446	6.7
162.03215	8.5
177.05566	100.0
178.05952	6.0
193.04959	1.8
198.35938	1.2
205.05054	50.3
206.05409	5.3
229.00333	1.5
239.57846	1.5
351.08667	3.3
404.51828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1137
Annotation	1,3-O-di-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
54.68131	0.6
61.48562	0.6
64.46217	0.6
68.99818	3.6
71.06489	1.4
99.00903	0.9
101.03956	1.5
102.39776	0.6
117.03459	5.7
119.05041	10.1
119.05832	1.2
120.05318	0.8
134.03755	2.0
145.02960	60.9
146.03320	2.4
147.04572	1.5
161.02408	1.5
162.03226	8.6
163.03934	0.7
177.05569	100.0
178.05916	5.4
205.05055	47.0
206.05396	2.4
247.48322	0.6
249.99667	0.6
250.23750	0.6
251.07362	0.7
279.83054	0.7
370.96033	0.6
376.03256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
59.51043	0.7
68.99807	2.4
89.03988	0.9
96.95997	5.4
99.00872	1.1
99.69921	0.7
101.02438	1.2
101.03971	1.6
101.59277	0.6
105.03460	1.3
109.64243	0.6
117.03466	4.6
119.05024	8.6
119.66312	0.5
123.04519	0.8
133.02959	4.8
134.03723	1.8
145.02957	57.4
146.03291	2.1
147.04536	1.0
161.02444	9.4
162.03249	9.8
177.05569	100.0
178.05927	6.2
193.05032	2.5
194.05890	0.6
205.05051	37.5
206.05417	3.2
291.06705	0.7
333.07861	1.9
351.08783	1.1
365.10205	1.8
383.13943	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	383.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
61.56112	0.4
69.64200	2.7
70.16463	0.5
71.01385	0.8
73.02955	0.5
85.02953	7.9
86.03326	0.4
87.00870	1.5
93.03474	2.5
98.19867	0.6
109.02988	0.8
111.04512	0.9
120.99673	0.6
127.04062	2.1
171.03049	0.6
173.04588	1.2
191.05626	100.0
192.05949	4.2
381.76389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.98828	0.5
67.01885	1.2
68.82433	0.4
68.99822	6.5
69.28468	0.7
69.28869	3.0
71.01382	0.6
80.73511	0.5
82.28732	0.4
91.03992	0.8
93.84697	0.4
98.19839	0.8
99.00847	0.6
101.02441	5.3
105.03445	2.7
113.02469	0.5
117.03465	48.4
118.03796	1.8
119.05027	1.4
121.02903	0.5
121.06606	0.4
123.04510	2.1
127.04001	2.7
133.02953	9.7
134.03290	0.5
137.09723	1.2
145.01866	0.8
145.02948	9.2
147.04356	0.4
161.02441	19.8
162.03052	0.8
177.05563	100.0
178.05934	5.1
185.11774	0.5
189.01920	3.9
189.33122	0.4
192.04303	0.8
193.05022	4.7
193.06540	0.8
195.13971	0.4
205.05045	21.7
206.05348	1.1
206.07318	0.5
211.13370	5.4
221.06079	1.1
223.17062	1.2
233.06117	0.5
235.07703	1.0
247.07658	0.5
249.05577	3.2
250.06032	0.7
251.16528	4.7
253.08649	0.6
261.05649	0.5
263.07050	1.2
281.08212	1.9
291.06580	1.0
291.19647	5.9
292.19852	0.4
309.20813	3.4
319.06107	2.5
323.09335	1.4
341.10840	0.5
351.08774	3.7
352.09189	0.6
383.11099	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.2
64.40122	0.5
66.12809	0.4
87.93172	0.5
98.20659	1.1
123.71152	0.4
136.50031	0.4
137.06136	0.6
138.06892	0.5
149.06140	0.7
151.07690	1.5
158.09248	0.4
170.05905	3.0
188.82285	0.5
192.11566	1.1
199.13438	0.8
217.00261	2.8
233.19130	1.4
235.20677	1.1
251.20186	3.0
277.18091	73.8
278.18454	5.8
279.19666	23.4
279.22836	0.8
280.20038	1.6
285.11322	0.8
295.19144	100.0
296.19507	8.2
343.28433	5.3
345.24469	0.6
359.32306	0.5
363.25406	18.3
363.29984	0.9
364.25735	2.1
381.26520	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	382.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42211	0.8
57.33865	1.0
59.01378	100.0
63.70761	0.8
69.56776	4.7
73.96161	0.8
75.72609	0.7
94.57483	0.9
119.47111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.4
61.98847	0.9
64.40086	0.7
65.29317	0.7
67.75975	1.0
71.05016	0.8
71.24284	0.8
73.01521	0.6
75.83434	0.6
77.14304	0.7
97.06597	0.7
98.20575	0.7
98.42470	0.7
123.21235	0.8
138.06851	1.0
151.11345	0.9
153.12840	3.1
155.14468	0.8
163.11285	1.4
165.12819	4.8
170.05849	3.2
174.99266	1.4
179.10785	11.3
181.12346	36.6
181.13965	1.8
182.12645	1.6
195.10243	2.5
197.11864	4.3
199.13396	100.0
200.13762	6.3
215.12912	1.9
217.00349	5.2
363.25415	5.4
381.11267	2.2
381.26563	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	380.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.45444	1.2
80.56268	1.0
83.45152	0.8
116.15228	0.8
152.28418	0.8
217.00256	2.1
230.79578	0.8
345.24109	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55986	0.2
54.17952	0.2
55.69691	0.3
57.03436	0.3
58.29665	0.3
59.01384	2.7
61.23907	0.2
61.98816	0.7
64.25287	0.3
67.01885	0.7
69.56162	0.4
69.56561	1.3
71.01398	1.5
72.99268	0.4
73.02932	0.6
75.00888	0.4
81.03445	0.3
83.05003	0.4
85.02955	9.0
87.00883	2.2
93.03462	5.5
99.00895	0.3
99.04510	0.6
101.02454	0.4
109.02940	0.8
111.04501	1.3
113.02473	0.4
117.03466	1.6
121.02942	0.3
127.04015	2.2
133.02914	0.9
135.04536	0.8
139.07660	0.3
143.03476	0.4
145.02956	2.6
147.04512	1.1
155.03552	0.5
160.01706	0.5
161.02458	12.8
162.02756	0.8
163.04021	18.8
164.04355	1.0
171.02991	0.7
173.04558	5.9
177.01918	0.4
189.01949	17.7
190.02232	1.2
191.05618	100.0
192.05952	4.0
207.03018	2.5
208.03459	0.3
213.11478	0.2
219.05084	1.0
219.32283	0.3
319.08105	0.4
363.07263	6.5
363.12445	0.4
364.07632	0.7
381.08295	10.2
381.12027	0.4
381.16699	0.4
382.08640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1557
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
58.00602	0.4
59.01379	15.2
59.19018	0.4
60.01712	0.4
61.98811	1.1
62.08395	0.4
69.37048	2.8
71.01380	26.9
71.05014	5.1
72.01723	0.5
72.47433	0.4
72.99297	0.7
73.02937	1.4
75.00871	0.5
77.43479	0.3
83.01385	1.1
85.02945	2.6
87.00890	1.1
88.04033	3.4
89.01923	0.7
89.02439	9.0
93.03453	0.7
95.01387	0.7
96.95995	1.2
97.46164	0.4
99.00874	0.4
99.04504	2.3
100.87365	0.4
101.02435	8.2
113.02445	3.8
116.03515	1.2
116.07161	1.0
119.03500	3.0
126.72035	0.5
128.07169	2.4
129.05583	1.0
137.02425	1.0
139.53667	0.4
140.74857	0.5
143.03496	0.9
146.08223	50.9
147.08562	1.0
161.04536	1.4
163.04013	0.9
174.11305	0.6
180.03487	2.2
189.01932	0.7
191.05598	4.6
200.09268	0.9
217.00201	0.8
218.10307	0.6
263.11447	0.8
299.07532	0.6
308.13452	4.8
342.08627	0.6
362.14551	1.6
380.15585	100.0
381.15909	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.6
58.00606	1.2
59.01384	19.3
61.98828	1.7
69.46593	5.7
69.46986	1.4
71.01387	13.0
72.99320	1.4
73.02966	1.4
79.11211	0.9
85.02966	3.1
87.00903	1.4
89.02449	12.7
93.03462	1.4
96.96027	4.1
101.02468	6.1
109.02969	1.0
113.02447	3.8
119.03504	3.7
121.02967	6.8
135.00906	2.3
135.04503	4.0
153.01973	2.4
153.09218	100.0
154.09517	4.0
161.04539	1.2
173.04543	1.9
179.05637	2.2
179.07129	30.3
180.07466	2.0
191.05618	6.0
197.08192	68.2
198.08597	3.9
215.03445	0.8
255.03059	1.0
296.07199	2.3
341.12485	7.8
377.01843	8.4
377.08591	3.1
377.18045	4.7
377.21655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19967	0.5
54.60062	0.4
57.03422	0.5
59.01380	16.9
68.99820	12.1
69.70126	1.0
69.70533	2.2
71.01382	20.3
72.97519	0.8
73.02947	3.4
83.01395	1.3
83.05023	0.6
85.02957	4.4
87.00896	1.0
89.02446	16.1
93.03477	0.7
95.01382	0.6
96.96017	1.5
101.02448	17.7
107.05026	1.5
109.02957	2.3
110.61577	0.5
111.04496	1.2
113.02460	3.2
115.04021	0.8
119.03509	4.3
123.04576	0.7
125.06098	1.1
131.03505	1.6
134.03784	0.9
135.04527	46.5
136.04855	2.0
151.03984	1.8
151.07602	2.6
152.04778	0.6
153.05585	2.6
159.64159	0.5
161.04538	0.7
163.06160	4.5
167.07193	1.0
179.03510	3.6
179.05594	1.1
181.07178	100.0
182.07497	4.9
195.06628	10.7
213.07585	1.2
297.09805	2.2
300.32300	0.5
341.08362	7.2
364.29095	0.6
377.08383	2.0
377.14423	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.6
61.98831	1.8
69.41496	6.6
71.01405	0.9
74.43254	0.9
95.05015	7.5
109.06627	0.8
110.19012	0.9
110.45975	1.0
110.70302	0.8
113.09706	3.3
134.86526	0.8
179.14403	1.4
185.73125	0.8
195.13918	18.9
196.14290	1.1
246.12323	1.4
249.10979	1.8
271.18649	0.9
277.12949	1.1
277.21738	17.5
278.11356	6.6
295.22794	100.0
296.23135	9.6
299.19739	1.0
315.19244	1.4
317.20978	50.9
318.21368	4.7
338.12326	1.3
341.26953	1.1
358.91351	1.1
361.20108	6.5
377.22424	13.5
378.22391	1.8
393.00134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01369	0.9
61.98829	100.0
64.72691	0.3
67.61728	0.3
70.92908	0.6
71.01410	0.5
71.10249	0.3
78.95485	0.3
78.95882	1.7
91.04028	0.4
91.33591	0.4
96.95997	0.4
117.03509	0.5
120.99667	0.5
125.09763	0.4
145.02971	1.0
146.03398	0.3
152.99596	2.3
161.09708	0.5
179.10785	1.5
179.89621	0.4
191.05666	1.2
192.05914	0.4
197.11813	9.8
198.12079	0.6
209.11751	0.4
241.10823	1.6
255.03079	0.4
262.42700	0.3
284.03424	0.4
296.06094	0.6
296.56305	2.4
315.14453	15.2
316.14938	1.5
378.08850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.161
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01881	1.5
57.03452	1.4
58.00596	3.3
59.01381	83.1
62.92078	0.9
71.01384	61.0
71.31126	1.7
72.01716	1.4
72.99298	3.0
73.02948	13.9
83.01394	2.8
85.02961	8.9
87.00883	2.7
89.02449	100.0
90.02771	1.5
91.84094	0.9
95.01393	2.8
99.00884	20.2
101.02445	37.4
101.03106	2.0
113.02450	19.2
119.03504	19.4
125.02466	4.4
126.34059	0.8
131.03508	16.2
143.03516	4.5
149.04558	49.7
161.04605	5.3
162.13310	0.9
179.05629	12.3
191.05615	11.5
221.06609	2.2
233.06686	1.4
247.11845	6.2
251.07813	4.3
293.08832	1.2
302.81235	1.0
379.16104	43.3
380.16394	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	377.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	23.7
60.79646	3.2
61.99438	3.1
71.01374	12.3
71.20228	4.7
71.20551	3.0
78.95920	3.6
86.18883	4.3
89.02437	28.3
101.02435	8.9
113.02438	10.0
119.03469	9.9
179.05582	14.1
215.03282	20.4
341.10901	100.0
342.11185	3.8
377.08569	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64872	0.5
52.59317	0.5
57.03453	1.0
59.01370	2.4
61.98803	0.8
62.80040	0.6
71.55759	0.9
75.61323	0.5
78.95902	4.0
99.04532	0.6
110.98516	2.3
132.02049	0.8
133.02934	2.1
135.04568	1.3
144.57964	0.6
161.02472	3.2
161.04512	0.9
167.01067	1.0
179.03394	0.7
185.02164	2.4
209.11812	100.0
210.12177	7.1
218.63321	0.6
326.28427	0.5
377.13623	5.0
377.23325	0.7
377.27603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	2.5
59.01381	28.3
61.98845	7.3
71.02335	1.6
71.02674	3.2
71.14387	1.3
74.33720	1.3
85.73910	1.2
95.05029	38.2
99.37450	1.5
103.34647	1.4
174.99310	2.3
195.13853	10.5
196.14464	1.6
217.00233	7.6
223.13522	9.5
246.12344	13.6
275.20193	5.2
278.11346	77.3
279.11642	4.9
293.21219	100.0
294.21506	9.2
307.58459	1.4
315.19400	19.6
316.19666	2.2
317.44748	1.4
338.12195	7.2
375.21204	5.3
375.25385	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
59.01376	22.2
63.27305	1.3
71.55562	2.5
82.27873	1.2
85.38238	1.3
111.10830	1.3
113.09731	19.3
121.06599	3.0
121.10167	1.6
131.06784	1.3
154.20041	1.5
167.10786	3.2
171.10249	2.8
179.10794	2.4
195.13928	2.9
217.00333	3.6
249.11063	1.8
249.22247	2.3
272.13934	2.9
275.20035	3.5
293.21222	69.4
294.21613	7.9
315.19394	100.0
316.19693	7.8
374.98932	1.7
375.21216	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51624	0.4
60.97509	0.6
65.00439	0.3
68.77883	0.3
69.55647	0.6
69.56053	1.6
74.99052	2.0
92.73341	0.4
93.00148	0.9
96.31674	0.4
98.19884	0.5
105.48665	0.3
129.01596	0.3
129.54700	0.4
132.58073	0.4
143.05289	0.5
149.00958	0.5
159.08453	10.5
160.08673	0.5
161.06358	2.7
183.56886	0.4
192.98157	0.6
209.01253	1.4
217.07184	1.4
261.04324	0.9
275.00797	0.4
275.05908	0.6
277.07507	2.6
289.07431	2.0
290.61459	0.4
291.09091	91.6
292.09192	11.5
309.09915	0.9
343.12311	0.5
357.13809	2.2
359.15329	100.0
360.15479	16.7
375.18445	10.5
376.18527	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.9
59.48329	1.1
64.07901	1.2
71.55917	1.8
74.99072	2.1
90.12206	1.3
94.53986	1.1
105.35699	1.1
115.59511	1.3
125.51472	1.3
136.02773	1.2
139.59422	1.2
152.95531	1.3
159.08417	11.3
161.06419	1.9
202.60663	1.1
209.01297	1.8
242.49690	1.4
243.79884	1.1
244.75230	1.3
247.57838	1.4
277.07538	2.1
289.07568	1.6
291.09082	94.6
292.09277	11.2
357.13522	1.6
359.15329	100.0
360.15552	15.9
375.18442	9.3
376.18491	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
70.78516	0.5
71.01349	0.7
71.16673	0.9
75.30717	0.6
85.02945	7.9
87.00893	1.5
93.03444	2.8
109.02944	1.1
109.14638	0.6
111.04495	0.7
127.03992	2.4
171.24942	0.6
173.04561	1.2
191.05608	100.0
192.05948	4.9
193.05066	0.6
238.96658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
50.01610	0.5
53.57493	0.6
55.01879	1.4
57.03447	1.4
58.00596	3.5
59.01383	100.0
60.01719	1.1
60.67179	0.7
68.11183	0.6
70.37152	2.6
71.01385	52.4
72.99313	4.7
73.02963	1.9
83.01396	2.6
85.02952	11.5
87.00892	1.9
89.02450	65.7
90.02793	1.7
95.01393	4.0
96.96032	2.1
101.02450	40.3
102.02786	1.1
113.02460	23.3
114.02803	0.9
119.03511	36.4
119.38020	0.6
120.03868	0.7
125.02423	0.7
131.03519	2.4
143.03546	3.7
149.04584	2.8
161.04622	1.9
179.03712	0.5
179.04051	0.5
179.05629	4.1
193.12325	6.9
211.13402	1.1
373.18661	56.4
374.19025	7.2
399.79465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.9
61.98833	100.0
69.62619	1.6
70.34942	1.7
84.05499	1.5
98.20715	2.7
124.80987	1.6
128.54665	1.6
128.62460	1.8
174.99217	2.6
217.00270	9.8
374.24191	4.1
375.25507	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1136
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
59.01382	16.8
65.03962	19.9
68.99826	3.4
71.01379	100.0
71.10048	1.9
72.01718	1.7
72.99315	2.0
83.01405	1.3
85.02938	4.5
87.00896	2.3
89.02440	8.1
91.05548	1.6
93.03455	3.2
95.01438	1.2
96.95998	3.4
97.02952	6.8
101.02433	6.3
103.05593	1.2
105.01926	1.2
106.04258	4.5
108.02188	1.4
111.04449	1.4
113.02466	6.0
118.98101	0.9
119.03533	3.3
119.05016	6.1
120.05810	1.4
121.02951	2.3
121.06601	10.6
123.04503	3.9
134.03735	16.7
137.02464	2.4
137.06082	1.5
139.04031	6.5
149.06076	60.8
150.06412	3.3
151.04037	1.9
152.04781	3.1
161.04535	2.6
163.03905	0.9
167.07138	3.8
175.02438	1.0
181.08710	2.3
191.05664	1.4
193.05046	55.4
194.05396	3.3
196.03850	1.0
197.08133	6.2
211.06094	44.3
212.06540	2.6
253.07138	3.5
313.09259	2.6
329.12366	3.4
373.11365	68.8
374.11670	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	373.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15204	0.5
57.03439	0.5
59.01363	1.4
61.15967	0.5
69.66381	3.4
85.02953	8.1
87.00896	0.8
93.03466	2.2
98.20646	0.7
109.02951	0.6
127.04015	1.8
155.33005	0.5
173.04529	0.7
187.59219	0.6
191.05611	100.0
192.05927	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	373.1138
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
55.01880	1.8
58.00574	2.5
59.01380	59.9
67.64948	1.2
69.03448	19.3
69.59146	8.1
71.01004	2.2
71.01382	34.9
74.95977	1.4
79.05542	2.4
80.02625	1.4
81.03445	2.4
82.49300	1.3
83.01377	2.0
85.02935	8.6
87.00861	1.7
89.02442	38.4
93.03432	2.3
94.18158	1.9
95.05045	6.5
97.02956	16.9
101.02435	16.4
105.03458	2.0
106.04237	2.3
107.05026	3.4
108.02171	5.5
113.02438	18.0
119.03493	13.8
119.05022	2.5
121.06590	17.8
123.04523	84.3
124.04814	2.4
128.85811	1.4
131.04991	3.7
134.03781	7.0
143.03516	1.5
149.06084	36.0
150.06310	1.5
161.04518	5.8
167.07121	29.4
168.07466	2.0
168.12840	1.5
179.05611	5.3
193.05051	100.0
194.05356	4.9
201.76225	1.3
211.06039	3.9
373.11420	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	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.4
61.98835	100.0
73.88691	1.4
82.77715	1.3
83.01381	2.9
88.91799	1.4
138.92313	1.4
139.81522	1.5
141.01617	1.3
176.07111	2.4
202.04918	1.6
208.09740	3.8
227.59065	1.4
234.07727	3.6
276.41882	1.4
292.84561	1.3
372.14948	1.8
381.50601	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40441	1.1
53.88086	1.3
55.66545	1.1
59.01149	1.1
59.01381	11.8
59.06089	1.2
60.76112	1.1
61.98833	4.1
67.01888	3.7
71.01391	9.8
72.99319	2.2
73.02962	1.3
83.01409	6.9
85.02945	3.6
87.00880	6.7
89.02440	1.7
93.03443	3.6
96.96011	3.9
97.02937	1.8
99.00896	11.2
101.02441	6.5
109.02950	14.3
113.02475	2.2
115.00378	20.6
115.92091	1.3
115.98742	1.1
121.02995	1.3
121.06605	2.8
123.04517	2.3
125.02478	1.5
127.00322	2.3
127.04022	7.6
133.02969	5.7
135.04544	6.2
137.02371	1.2
145.02969	2.4
147.04538	7.3
148.05281	3.9
149.06087	86.8
150.06445	3.3
151.03949	1.9
153.01892	2.8
157.01376	1.3
159.04523	1.3
161.02452	26.7
161.06055	3.2
163.04022	5.9
165.05588	7.2
167.07161	1.9
169.38936	1.3
173.04547	2.6
175.02466	13.2
175.04016	16.5
175.09727	4.2
176.04185	1.4
177.00500	2.0
177.01942	24.8
177.05560	1.4
179.03534	1.9
187.04025	3.0
189.05608	4.7
191.03484	3.7
191.05591	6.2
193.05057	14.6
194.05464	1.3
200.70943	1.2
205.05028	3.8
206.02193	5.0
211.06078	5.8
211.09639	1.9
219.02983	30.7
220.03259	1.7
231.06598	2.6
233.04559	21.8
234.04956	2.0
237.04031	40.2
238.04477	2.5
248.13751	1.1
249.07675	3.4
275.05597	2.8
277.03531	28.3
278.03860	2.0
293.06592	14.2
299.83630	1.3
319.04572	9.8
337.05646	100.0
338.06021	10.9
373.03473	15.3
373.11075	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	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.3
61.98831	100.0
69.41563	7.1
69.41967	25.2
73.67467	3.6
81.20458	4.1
83.01390	11.7
113.01508	4.0
121.02966	5.3
121.32150	4.1
130.70129	3.8
150.10576	4.3
162.36424	4.0
176.07127	10.6
202.48642	3.8
208.09773	10.9
232.82928	4.7
234.07730	11.3
324.91422	4.3
342.59528	4.2
372.15198	9.2
391.42377	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	372.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19045	0.8
59.01381	9.5
61.98824	3.7
67.01904	0.8
68.99813	1.0
69.62025	4.5
71.01388	8.0
72.99307	1.9
83.01362	1.9
85.02951	2.0
89.02441	1.9
93.03477	1.7
101.02450	2.0
104.04396	1.3
104.05067	26.6
107.05016	1.0
113.02431	1.6
119.05039	1.2
120.04521	2.9
120.05332	1.0
121.02957	2.1
121.06532	0.9
122.06118	1.7
123.04506	2.7
134.03691	1.4
135.04523	1.1
136.01627	1.6
137.02420	1.3
147.04620	0.9
148.04056	53.7
149.04359	2.8
149.06047	2.0
150.05605	1.2
151.03975	3.3
152.01157	4.4
152.04805	1.9
153.01494	2.9
159.95389	0.8
160.04045	3.5
161.02444	0.8
161.04521	1.1
162.05605	1.5
163.04008	1.1
164.04149	0.9
165.05531	2.3
166.05083	100.0
167.05426	4.4
167.07132	2.1
176.03581	1.5
176.07187	1.5
178.99834	1.5
188.03514	1.3
191.05594	1.2
193.05026	2.7
206.04570	9.7
208.00082	3.8
208.09785	1.2
209.00519	3.8
209.04512	1.5
210.04076	94.4
211.04379	4.7
211.06143	2.6
224.05635	21.5
225.06059	1.4
234.07632	1.8
236.05533	1.1
252.05132	29.6
253.05417	1.2
282.06082	3.5
312.07150	3.5
372.05853	7.2
372.10046	6.2
372.14731	1.1
373.06845	0.8
373.11200	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	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.4
57.03436	0.7
58.99596	5.3
59.01378	6.5
63.13380	0.7
69.03458	100.0
70.03793	2.5
71.01386	5.7
71.55611	1.2
72.99319	2.3
73.02959	0.7
73.06329	0.6
74.99091	1.0
79.01880	3.6
83.01388	4.5
85.02943	3.9
87.00900	1.1
95.01374	3.8
97.02949	18.7
99.00881	26.1
101.02457	2.9
102.98602	29.2
113.02470	1.6
121.02944	1.9
123.00889	2.2
136.05304	1.4
137.02486	0.7
141.01936	8.1
161.04539	1.8
163.00716	2.0
168.04356	0.7
173.04559	0.6
178.00760	0.7
185.00922	61.8
185.11871	2.8
186.01294	2.2
191.05617	2.9
235.75761	0.7
357.36740	0.8
358.31772	0.7
371.13406	19.6
371.20990	1.5
372.14224	2.1
372.21185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1476
Annotation	Tetrahydrocurcumin
Peak:m/z	Relative Intensity
55.01882	8.7
59.01377	100.0
69.03461	86.4
71.01384	24.8
73.02954	10.1
74.09438	4.4
79.01888	5.8
83.01383	28.1
85.02946	13.1
87.00887	6.9
89.02440	9.8
93.03461	4.8
96.96000	30.1
97.02941	18.7
97.11702	5.2
99.00894	28.2
101.02441	13.3
113.02443	12.3
119.01656	4.3
119.03511	5.9
121.02946	11.2
136.05283	9.7
136.26282	4.4
141.01955	9.4
161.04509	9.0
171.10268	10.5
173.04536	8.9
181.08743	6.0
181.12297	5.0
185.00911	52.5
185.11815	6.9
191.05588	15.7
199.09756	29.7
199.13383	12.6
200.10008	4.9
201.11319	53.5
202.11610	5.5
207.10254	21.0
208.09848	4.2
225.11322	20.8
229.35014	7.4
243.12344	6.3
273.13364	8.9
283.13712	15.3
370.62112	5.0
371.14807	41.3
371.20020	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	371.0984
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
57.03436	2.5
59.01105	1.1
59.01385	20.1
61.98833	1.1
67.01894	1.3
68.99802	2.3
69.03452	2.4
69.27870	6.7
71.01382	16.9
72.99313	5.3
73.02938	2.0
75.00880	19.8
81.03468	1.5
83.01401	6.0
83.05050	1.2
85.02956	18.7
87.00871	6.9
89.02454	5.1
93.03448	3.6
95.01395	5.0
95.01933	0.8
96.96008	8.9
98.20699	1.7
99.00883	9.1
103.00368	2.8
111.00899	0.9
113.02455	22.3
114.90763	0.7
115.00386	1.6
117.01934	3.1
121.02962	100.0
122.03284	2.9
129.01884	2.0
135.04567	1.4
136.05275	1.3
145.02953	1.0
149.39087	0.8
156.51718	0.8
157.01476	1.4
173.04529	4.2
175.02460	3.3
189.03967	1.2
191.05606	2.6
195.24147	0.8
231.05096	5.5
249.06157	70.2
250.06461	3.9
291.12717	10.2
307.41068	1.0
353.08688	2.1
371.09833	65.2
371.14291	3.0
372.10056	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	371.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	8.8
60.99271	0.7
61.98820	1.8
65.00301	0.8
68.02197	0.6
68.99810	3.3
70.75119	1.8
71.01385	21.1
73.02942	1.1
81.03468	1.1
83.01389	8.2
85.02971	3.4
87.00854	1.1
89.02451	5.0
91.61616	0.7
93.03465	7.2
95.01373	0.9
96.96013	1.0
101.02456	4.3
101.04012	0.8
104.05080	6.1
107.05022	1.7
109.02965	1.9
110.00091	0.9
111.00877	2.2
113.02452	2.5
117.03478	0.9
119.03513	1.6
119.05026	10.5
120.04510	0.7
121.02969	7.6
123.00894	3.7
123.04591	0.8
124.01668	7.8
125.02402	1.1
133.02943	1.0
135.04517	6.9
135.35098	0.7
136.05281	1.7
137.02454	5.8
137.06050	2.4
139.00386	3.5
139.04034	1.0
141.01898	0.8
147.04536	8.2
148.04044	14.1
149.02422	0.7
150.03282	0.8
151.00372	6.8
152.01158	72.7
153.01488	2.3
161.02420	1.6
163.00322	2.0
163.04027	4.0
164.08290	0.9
165.01971	1.0
165.05569	23.4
166.05074	29.9
166.99898	0.8
168.04254	1.2
173.02299	1.1
173.04532	0.7
173.05885	0.7
177.05492	1.1
178.99875	19.6
179.03427	1.0
180.00444	2.0
181.05063	1.4
183.03058	1.0
189.09164	0.9
191.03482	6.2
191.05304	1.3
193.01387	2.6
206.04555	3.4
206.99370	1.2
207.02940	0.9
208.00122	65.3
209.00783	4.9
209.02563	0.9
209.04536	10.6
210.04068	27.7
223.02356	1.4
224.05644	6.5
251.05511	1.6
252.05122	7.4
282.06116	0.7
295.47113	0.7
312.07492	0.9
327.10968	1.1
371.06097	100.0
371.09988	17.5
371.14514	2.8
371.15375	3.0
372.06149	8.0
372.10150	2.4
372.14282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
55.01859	1.4
56.25445	0.9
58.00595	0.9
59.01379	24.2
61.98833	9.6
67.01890	1.1
68.99821	10.6
69.70511	2.1
69.70921	2.4
71.01385	48.8
72.01733	1.1
72.99317	2.7
73.02950	2.9
81.03450	2.4
83.01386	9.9
83.05028	2.7
85.02950	6.8
87.00871	4.5
89.02444	12.1
91.05566	2.5
93.03456	20.4
94.03795	1.5
95.01387	1.8
95.05037	2.2
97.02977	1.0
99.00865	1.5
101.02444	11.4
105.03464	3.6
107.01447	0.8
107.05029	9.1
108.02128	1.2
109.02947	9.8
111.04513	1.9
113.02429	6.2
117.03471	3.1
119.03623	3.9
119.05027	25.1
120.05371	1.6
121.02959	22.0
121.06571	1.0
121.59575	0.9
122.03294	1.4
123.04530	8.0
125.02438	1.1
127.04008	1.0
133.02977	7.5
133.06610	1.0
134.03709	1.4
135.04524	22.9
136.05275	2.8
137.02441	12.1
137.06073	10.4
139.04008	1.9
145.02936	2.6
147.04521	18.9
148.04024	1.1
148.05240	1.5
149.02440	3.2
149.06020	1.7
151.03992	2.1
152.01112	1.2
155.07094	1.2
159.04530	1.2
161.02473	11.2
161.06079	2.2
163.04013	13.0
164.04709	0.9
165.05569	53.6
166.05888	2.3
173.02417	1.9
173.04507	1.2
177.01923	1.1
177.05559	3.3
179.03519	4.2
179.05647	0.9
180.03867	2.0
181.05042	8.9
181.28624	0.8
189.05612	1.7
190.06456	1.2
191.03503	13.2
191.05600	5.6
192.04033	2.2
192.05885	1.1
192.58870	0.8
205.05061	1.9
207.06558	1.1
209.04552	20.8
210.04117	1.6
233.04506	1.3
251.05585	3.7
266.21280	0.8
299.07770	1.1
308.08560	2.0
311.07782	2.1
327.10950	5.2
371.09830	100.0
372.10144	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	370.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81128	0.9
56.16122	1.0
59.01367	1.8
61.98833	100.0
64.64604	0.9
69.20682	8.2
83.01383	4.1
121.02945	3.7
168.04294	1.0
199.48737	0.9
263.81485	0.9
356.12717	1.1
358.06921	1.0
371.15195	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	369.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.5
57.03447	3.0
58.00587	1.2
59.01379	36.8
60.01738	0.7
60.99297	0.6
69.03462	1.4
70.08958	2.5
71.01382	54.6
72.01724	1.1
72.99313	1.2
73.02948	26.5
74.03299	0.8
75.00877	2.7
81.03467	0.7
83.01394	10.9
83.98935	0.6
85.02953	28.6
86.03325	0.6
87.00877	4.3
89.02446	20.1
93.03479	1.2
95.01379	3.8
97.02979	3.2
98.20570	0.8
99.00890	12.8
99.04565	0.7
99.80224	0.6
101.02446	60.0
102.02807	1.7
111.00877	1.5
113.02456	23.8
114.02740	0.9
115.02525	0.7
115.04017	2.1
117.00451	1.5
119.03551	1.7
125.02453	7.0
129.01967	1.4
131.02022	2.9
131.03497	4.3
133.02948	0.8
143.03517	4.6
149.04530	4.9
151.75052	0.6
157.05138	0.6
159.03014	5.0
161.04556	36.3
162.04893	1.4
173.04410	0.9
191.05621	5.2
205.03473	1.2
227.00471	1.1
231.02075	0.7
233.06667	5.3
237.09798	86.7
238.10089	4.6
257.03647	1.5
259.01810	0.7
273.03061	0.8
293.08759	2.3
369.14011	100.0
370.14435	8.6
375.58179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	25.3
69.03477	12.3
69.37105	100.0
73.46425	12.3
93.03447	14.8
98.19859	20.5
115.18410	14.3
137.02480	17.0
173.04471	15.4
191.05530	26.2
285.59741	13.7
348.92911	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	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44861	0.5
61.98830	100.0
68.04436	0.4
68.23951	0.4
69.25367	4.5
75.72167	0.5
83.01393	1.8
92.15224	0.4
97.56734	0.6
101.47867	0.5
112.04375	0.5
121.02962	4.6
136.05272	0.9
142.87935	0.5
163.21117	0.4
274.41336	0.5
356.12680	0.7
371.15015	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30780	0.4
55.01883	4.5
59.01362	0.9
61.98847	0.4
67.01877	0.8
69.03458	100.0
69.35017	4.3
70.03793	2.0
71.01394	2.1
71.76820	0.6
72.99310	1.8
79.01894	4.4
85.02963	2.4
87.00901	0.5
95.01382	2.7
97.02949	17.3
99.00883	26.2
100.01200	0.8
119.04942	0.5
123.00898	1.3
139.11310	0.6
141.01939	11.9
142.02301	0.8
145.02940	1.4
173.04561	0.8
183.10284	0.8
185.00908	61.1
186.01257	1.8
191.05513	1.5
255.03024	0.7
284.03226	0.9
330.84155	0.5
369.11957	19.8
370.12216	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39344	0.4
59.01361	1.2
61.98835	0.9
73.15444	0.6
74.08778	0.5
81.71546	0.5
84.15314	0.5
89.48357	0.5
98.20678	0.8
104.33102	0.6
133.06612	1.1
149.09721	73.2
150.10071	4.2
151.40247	0.5
189.12885	0.8
205.15965	73.0
206.16283	5.2
307.10303	0.6
367.26431	100.0
368.22549	0.8
368.26819	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	369.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07320	1.1
54.14363	0.9
55.01864	4.0
55.30375	0.9
58.44556	0.9
59.01366	3.7
61.98789	1.4
68.99818	4.1
69.03458	100.0
70.03796	1.8
71.01373	3.7
72.99303	2.2
73.01176	1.3
79.01902	3.6
81.03459	1.1
85.02933	2.9
95.01391	2.9
96.96011	4.7
97.02943	17.9
99.00883	29.1
117.03450	1.0
119.05038	5.3
120.99613	1.9
123.00832	1.4
124.05396	1.0
130.08672	1.9
133.02916	1.3
135.04527	2.2
137.02419	2.6
141.01970	8.2
145.02959	20.5
147.04491	1.3
161.02448	1.5
173.02371	1.3
173.04506	1.5
177.05547	2.5
183.10062	1.2
185.00922	52.4
186.01228	2.1
191.05562	4.7
205.05064	46.1
206.05374	3.0
218.29750	1.1
223.02814	1.0
237.72366	1.1
369.11771	18.4
370.12302	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71677	0.3
57.03454	2.9
59.01382	3.3
71.01388	0.4
85.06600	0.4
91.03991	0.5
93.03477	0.3
95.22515	0.2
97.06607	0.6
101.02433	0.3
103.49420	0.3
109.06602	0.5
113.09734	15.8
114.10069	0.3
135.11763	0.3
139.11317	1.6
141.09166	0.3
149.09732	0.4
153.09198	0.3
161.04628	0.4
167.10794	2.2
177.12877	1.3
179.10797	2.2
195.13867	1.8
249.22264	1.5
275.20178	0.7
293.21237	100.0
294.18192	0.5
294.21555	10.2
307.10266	1.2
328.03046	0.3
367.26056	1.4
372.61801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2641
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
51.73180	0.4
59.01377	0.7
61.98834	0.7
69.33894	3.7
78.82041	0.4
91.37056	0.4
133.06599	8.0
149.09723	72.9
150.10052	3.7
158.48560	0.4
194.09499	0.7
197.02802	0.8
205.15971	43.8
206.16301	3.3
222.02974	0.4
295.16870	3.8
296.17477	0.6
307.10327	0.6
328.16739	2.5
367.26437	100.0
368.26758	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	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76603	0.6
55.01883	7.0
57.03455	2.9
58.00600	0.7
59.01382	36.0
61.36469	0.6
61.98837	5.2
64.84033	0.7
69.03479	1.3
70.21606	0.7
70.21951	2.5
71.01385	50.9
72.01752	0.7
72.99318	1.8
73.02950	28.4
73.06603	1.0
75.00874	1.8
80.86900	0.8
83.01392	10.7
85.02959	24.3
86.00100	1.3
87.00883	4.4
89.02445	12.6
90.68679	0.6
93.03492	1.6
95.01409	4.7
97.02964	2.9
98.19965	0.9
99.00878	10.9
101.02451	55.4
109.75452	0.6
111.00935	1.6
113.02454	22.0
115.00369	1.9
115.04037	1.7
119.03531	1.4
119.04951	0.8
125.02456	3.0
129.01981	1.3
131.03546	3.9
134.03789	3.4
143.03526	2.7
149.04565	2.0
159.03038	5.2
161.04573	20.8
162.05006	0.8
173.04564	0.8
175.02472	2.5
191.05623	5.3
193.05083	1.9
205.14296	0.8
233.06720	1.7
235.11873	94.7
236.12238	4.5
279.10910	1.2
293.08710	0.8
307.10217	1.2
367.16074	100.0
368.16425	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	367.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	0.5
59.01381	6.4
61.98827	0.5
68.17043	0.3
71.01382	1.6
71.55340	0.4
79.40302	0.3
85.02973	0.4
89.02440	3.1
91.04008	12.3
95.04997	0.5
97.06577	0.3
101.02438	0.5
111.08179	0.5
113.09685	0.4
135.04483	0.6
139.32780	0.3
161.04514	0.7
164.60582	0.3
167.10800	0.7
171.10307	0.6
179.14397	1.0
191.05627	1.2
193.07840	0.3
195.13899	9.6
196.14400	0.7
197.15746	0.3
205.12311	0.7
205.15924	0.4
211.13359	0.4
223.13394	6.1
228.13629	0.9
231.21236	0.6
256.13156	1.6
260.00461	0.3
265.21674	0.5
275.20145	6.5
276.20392	0.7
293.21222	100.0
294.21558	10.2
307.10303	1.2
330.26797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08957	0.6
55.61055	0.6
56.84216	0.6
57.03445	1.4
59.01385	5.7
60.99306	7.0
61.98827	1.8
62.90711	0.6
66.43607	0.5
67.01559	1.0
67.01894	14.1
69.03461	5.2
69.35176	5.0
69.80596	0.6
71.01378	4.8
71.05031	0.6
73.02933	0.8
81.03465	3.0
83.05036	2.7
85.02954	1.9
87.00880	23.0
88.98822	1.1
89.02463	0.7
93.03462	100.0
94.03811	2.5
96.96001	3.5
98.19928	1.3
99.00882	1.9
99.04514	1.9
99.56458	0.6
101.02457	1.5
101.95615	0.5
108.41808	0.5
109.02950	1.4
111.00882	2.2
111.04523	17.2
113.02456	2.8
116.90520	0.6
129.01921	3.0
134.03749	29.3
135.04062	1.1
136.08693	0.6
137.02432	1.8
143.03477	1.7
145.95499	0.6
149.06110	1.9
152.99612	0.6
155.03481	4.0
161.04587	0.6
173.04552	69.6
174.04884	2.9
178.02747	1.6
185.03757	0.9
190.57198	0.6
191.05650	6.0
193.05058	12.0
307.10251	1.9
367.10336	51.2
367.18552	3.1
368.10754	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	367.1031
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
55.01860	0.6
57.03445	1.1
59.01385	3.4
60.99304	1.7
61.98828	0.6
65.51022	0.5
67.01894	7.3
69.03444	1.7
71.01389	3.2
72.06846	0.5
81.03456	1.4
83.05015	1.3
84.95099	0.5
85.02956	5.6
87.00883	8.4
88.92380	0.5
93.03462	38.8
93.61132	0.4
94.03784	1.1
96.95988	0.7
98.19866	1.1
99.00923	0.8
99.04496	0.9
109.02958	0.9
111.00861	1.0
111.04535	5.8
113.02419	1.1
117.03445	1.6
119.05070	0.8
125.01187	0.5
127.04034	1.7
129.01921	0.6
134.03748	17.1
135.04170	0.5
137.02446	2.0
140.86469	0.6
149.06050	1.4
155.03571	2.2
161.04498	0.6
163.04004	0.9
173.04550	43.1
174.04860	1.7
175.03983	0.6
187.05812	0.6
191.05614	100.0
192.05957	3.5
192.07443	0.5
193.05048	11.3
194.05341	0.6
251.91693	0.5
307.10364	1.2
361.57132	0.6
367.10263	6.5
370.58801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93192	0.3
59.01375	2.5
61.98831	100.0
64.70830	0.3
67.91047	0.5
71.01361	0.6
71.55567	0.4
72.99313	0.5
89.02461	0.9
93.03481	0.9
96.95995	0.4
103.56239	0.4
105.11134	0.4
115.00334	0.4
117.01938	0.6
131.26239	0.4
133.03012	0.4
135.04495	0.9
142.99892	1.1
149.06105	0.5
159.03249	0.5
161.02489	0.7
167.07149	0.6
173.00900	0.6
173.04561	0.6
174.01717	0.7
191.05630	1.2
193.05005	0.5
197.82556	0.4
223.01469	0.4
225.07715	0.8
271.08252	0.7
278.08319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01377	2.1
62.98962	0.4
69.76413	2.2
73.41268	0.4
85.06604	2.0
117.91975	0.4
128.55444	0.4
136.42767	0.4
161.22766	0.4
199.13419	1.9
201.02577	1.0
219.17570	0.6
225.63110	0.4
254.99707	0.4
279.19675	17.1
280.19974	1.8
283.26358	0.6
314.26666	0.5
347.25946	5.9
348.26099	0.5
363.25192	1.0
365.26956	100.0
366.27255	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	365.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	100.0
63.07677	31.8
70.47556	33.5
71.55932	55.4
118.77647	39.4
181.69571	42.6
182.86078	34.7
283.26498	82.5
365.26837	41.1
382.38019	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07467	0.5
53.46286	0.5
55.01874	1.9
57.03458	1.0
58.00602	0.7
59.01109	1.1
59.01382	15.2
61.98821	1.0
70.29814	1.5
71.01003	0.8
71.01383	12.7
72.99306	1.5
73.02948	9.1
83.01382	2.9
85.02946	7.0
87.00876	1.8
89.02428	2.8
93.03457	0.8
95.01383	1.3
96.96019	1.7
99.00906	1.1
101.02444	10.8
101.06091	2.8
103.67828	0.5
111.00877	1.3
111.04472	0.6
113.02443	4.5
116.05009	3.2
119.03512	1.5
120.99644	0.6
125.82459	0.5
127.11316	2.8
139.11166	0.6
142.06639	0.6
155.10739	1.6
158.06113	0.6
161.02449	0.6
161.04539	0.9
165.95793	0.6
166.79414	0.5
173.11815	29.4
174.12137	2.1
176.04117	0.6
185.11833	2.4
186.05602	6.3
191.05563	1.5
201.11284	5.1
203.12813	1.4
239.23654	0.5
275.77441	0.5
289.49973	0.5
317.16205	2.9
335.17099	27.6
336.17484	2.3
347.17050	10.5
348.17242	1.3
365.18146	100.0
366.11868	2.0
366.18558	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03447	1.0
58.00580	0.6
59.01108	0.7
59.01382	10.2
59.56887	0.4
61.98827	3.7
71.01389	8.9
72.99320	0.8
73.02956	3.4
75.00900	0.6
83.01389	2.9
85.02949	5.1
87.00874	1.4
89.02465	2.5
93.03461	1.4
93.70018	0.4
95.01390	0.9
97.95637	0.4
99.00896	1.2
101.02451	11.0
113.02447	3.7
113.06152	0.4
125.02465	0.5
132.04539	0.5
133.02983	1.8
135.04500	0.6
135.30836	0.4
157.12349	1.7
159.03020	0.5
161.02441	0.5
161.04520	1.0
173.04503	0.9
177.01857	0.7
185.11844	0.8
191.05608	2.9
201.11359	1.0
203.12836	4.6
219.31763	0.5
221.28833	0.5
227.12849	0.5
234.76294	0.5
238.69098	0.4
265.05374	0.5
303.13525	0.8
365.18152	100.0
366.18478	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	365.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11065	0.7
59.01377	5.4
65.22672	0.7
68.99822	4.6
70.14336	0.9
70.84042	0.8
71.54658	1.2
72.16012	0.7
86.54496	0.8
96.96001	0.8
99.00855	1.5
101.02444	2.1
104.50749	0.9
109.18595	0.9
133.02994	0.9
171.01096	0.9
189.07103	2.3
190.07762	0.9
193.06543	0.8
201.07158	1.1
203.26686	0.8
205.06557	0.9
208.08852	1.0
217.06583	4.2
218.07346	3.1
219.08130	1.8
221.05986	2.6
222.06833	0.9
233.05936	2.9
234.06833	1.5
235.04163	1.2
238.47301	0.9
245.06076	11.7
246.06842	11.6
247.07407	1.5
248.04762	1.3
249.05571	14.1
249.09306	1.8
250.06181	4.7
261.05658	2.0
267.10248	1.2
273.05588	5.5
274.06277	4.4
275.07001	2.0
277.05057	4.4
277.08691	6.0
278.05759	2.1
282.05399	1.9
289.08612	1.1
290.05746	1.3
301.05038	1.8
304.07272	4.7
305.04807	1.5
305.08194	26.0
306.08594	2.9
333.07663	100.0
334.07968	11.5
336.06396	4.2
337.10791	3.6
365.10233	5.3
386.90332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89392	1.3
52.90236	1.2
59.01382	6.2
68.99820	5.6
69.23565	7.6
69.23976	4.6
79.36357	1.4
95.73473	1.4
110.72605	1.4
119.68988	1.5
189.07100	1.8
195.95197	1.4
208.08946	2.1
217.06558	3.6
218.07233	2.6
219.08159	2.3
221.05959	3.8
222.06868	1.9
231.39850	1.3
233.06136	3.3
234.06767	1.8
245.06046	11.9
246.06862	12.0
247.07480	2.6
248.04770	2.6
249.05588	14.7
249.09279	2.5
250.06293	5.5
261.05591	1.9
267.10251	1.8
273.05646	3.2
274.06287	5.5
277.05267	3.2
277.08679	5.6
278.06000	2.1
282.05377	2.8
289.08789	2.2
301.04938	1.8
303.06616	1.6
304.07385	4.0
305.08194	27.4
306.08435	3.7
333.07675	100.0
334.08051	14.5
336.06580	2.4
337.10880	4.1
365.10196	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	364.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90387	0.5
59.01368	0.7
61.98833	100.0
69.32718	3.9
101.32925	0.5
142.30952	0.5
174.01643	0.6
208.71423	0.5
228.98854	0.5
327.33267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.6
59.20270	1.1
69.19567	2.4
69.19968	10.2
71.01373	2.9
77.03956	2.9
85.02960	3.7
89.02443	1.8
93.03455	4.1
95.05021	4.3
105.03468	15.6
121.02955	2.2
123.04536	2.6
133.02960	100.0
134.03300	3.2
135.04524	9.0
147.03233	1.9
147.04543	1.7
148.04045	2.7
149.02428	2.5
149.06122	2.8
166.73715	1.3
173.04520	2.1
177.01935	52.5
178.02306	2.5
179.03499	1.5
191.05635	4.9
195.43216	1.5
243.06810	1.7
277.92743	1.6
305.06586	2.5
365.08881	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80573	0.8
56.64497	0.7
59.01374	4.9
61.98830	100.0
71.55128	1.1
75.17001	0.8
77.05326	0.8
86.25919	0.9
92.99089	0.9
93.03471	1.2
135.04497	0.9
146.20805	0.8
161.02422	1.6
173.04604	2.2
179.03601	0.9
190.00446	0.9
191.05573	3.9
192.05983	0.9
269.27881	0.8
295.50168	0.9
363.20126	1.9
377.90503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
59.01382	33.1
69.22836	1.1
69.23367	11.4
69.23704	2.1
71.01385	22.3
72.99323	2.6
73.02957	8.2
83.01405	6.1
85.02956	11.4
87.00893	2.8
89.02433	10.3
95.01351	2.1
96.95956	1.4
99.00880	3.7
101.02443	25.3
103.57724	1.2
104.65321	1.1
111.00877	1.3
112.59747	1.2
113.02462	9.4
119.03481	3.6
150.03172	1.5
165.05624	1.6
166.58032	1.4
183.10298	3.7
191.18523	1.2
227.04536	1.3
333.15588	3.4
345.15530	31.6
346.15933	4.0
363.16614	100.0
364.16913	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	364.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60207	0.5
59.01389	0.8
61.98832	100.0
63.42921	0.5
65.40266	0.4
69.35996	3.2
69.36404	0.9
96.69732	0.5
104.35148	0.4
180.73190	0.5
188.57234	0.5
193.75409	0.5
265.85065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65023	0.8
52.77168	0.7
57.03440	0.9
59.01387	4.7
61.98832	100.0
71.01389	0.7
71.55492	1.0
80.31033	0.6
93.03464	1.0
130.06633	1.1
135.04530	1.4
156.63678	0.8
167.06238	0.7
176.37041	0.8
179.03526	0.9
180.06960	7.2
191.05608	3.7
201.12390	0.7
247.08832	2.0
273.84033	0.7
292.03699	0.8
301.13608	1.5
319.14603	7.5
319.19254	6.5
363.13596	7.5
363.17798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40022	0.5
55.19380	0.5
59.01382	100.0
60.01713	1.1
61.98828	1.6
66.31202	0.5
71.01395	4.3
78.46122	0.5
84.17744	0.6
85.02953	1.8
87.00877	0.8
89.02438	2.9
93.03488	3.1
96.96049	0.6
98.83997	0.5
101.02440	1.9
113.02483	1.6
113.77254	0.5
119.03530	1.1
119.05035	7.3
120.05366	2.2
135.04454	0.8
140.07185	97.4
141.07594	2.8
147.04501	1.7
150.60748	0.6
160.30441	0.6
161.04558	1.3
163.04015	11.1
163.14525	0.6
164.04378	3.9
173.04530	2.4
174.63013	0.5
189.01967	1.4
191.03815	1.1
191.05630	4.2
201.11325	1.4
215.78929	0.6
250.85489	0.7
302.12479	2.6
312.43698	0.7
315.08548	0.5
326.09653	0.6
327.88330	0.6
362.15170	2.4
363.07373	1.0
363.12167	1.0
363.16492	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00353	0.7
52.13211	0.7
59.01358	1.9
61.26508	0.7
63.91883	0.7
68.99812	1.4
69.98626	3.3
70.94534	0.7
71.01355	0.8
72.99323	0.8
92.04995	1.1
93.82484	0.7
95.05045	1.0
99.00862	1.2
105.55821	0.8
110.06088	4.0
116.05036	1.5
118.06638	1.7
119.03698	1.1
120.04464	1.3
121.05267	2.1
122.06121	14.2
131.03787	0.9
132.04521	2.1
134.06094	1.2
135.04501	0.8
144.03569	1.1
144.04498	4.9
145.04233	0.8
145.05338	15.6
146.06126	8.5
147.03258	1.5
148.04030	2.8
152.03482	1.6
159.03247	3.6
160.04033	47.3
161.04826	24.9
162.05481	2.4
164.03523	1.4
169.54703	0.8
174.01888	0.7
175.02632	1.3
176.03555	9.7
177.04324	8.5
180.47900	0.7
188.03484	3.8
189.04309	65.4
190.04871	4.2
191.05592	1.3
192.02966	2.8
193.03789	12.7
203.05847	2.2
211.60156	0.9
220.06172	1.0
221.03288	15.0
221.06871	19.3
222.03586	0.7
222.07399	1.9
231.11356	2.3
240.54112	0.9
243.11363	4.8
253.05872	6.3
255.11374	15.7
256.11636	1.3
267.11374	27.6
268.11642	3.4
283.10873	3.4
285.12424	4.5
299.10373	15.5
311.10385	35.7
312.10645	3.4
329.11398	15.8
330.11624	2.1
331.09027	1.3
331.12982	21.8
332.13281	2.3
343.12964	100.0
344.13269	10.6
361.09491	2.8
361.13998	32.2
362.14386	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	361.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65275	1.3
51.97651	1.4
54.03259	1.3
54.04593	1.2
59.01381	100.0
61.89817	1.4
68.99811	1.9
69.39567	4.7
69.39990	6.0
72.10347	1.3
73.82906	1.3
91.02926	1.4
101.02412	2.5
128.20512	1.6
148.01563	1.4
156.76408	1.4
197.47586	1.7
291.08594	2.0
326.57108	1.5
343.20142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.3
59.01379	3.1
59.85413	0.2
69.53973	1.7
71.01372	1.1
71.72332	0.2
73.02943	2.5
77.87157	0.2
86.32201	0.3
91.50490	0.3
131.16212	0.2
176.16859	0.3
184.60359	0.2
202.94930	0.2
226.59464	0.2
255.23306	1.0
267.23239	0.2
269.24731	0.3
281.24857	0.4
283.22821	1.6
293.24698	0.3
295.22787	0.3
297.24329	7.7
298.24631	0.6
299.25842	0.4
311.22421	0.4
311.25812	3.5
312.26227	0.4
312.86255	0.3
313.23828	7.8
314.24286	0.6
323.25812	0.5
325.23819	1.1
327.25403	2.5
328.25824	0.5
339.25449	0.6
339.36786	0.3
341.26978	6.9
342.27335	0.8
359.28015	100.0
360.28372	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	361.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21257	0.7
59.01386	3.5
68.99831	1.1
71.01386	2.1
71.54839	0.8
71.55196	1.0
73.02958	0.9
85.02948	1.8
89.02436	1.4
92.05061	0.8
93.03458	1.1
95.05041	1.4
99.00893	1.2
101.02433	1.4
107.03833	0.9
110.06099	4.7
116.05038	1.1
118.06644	1.2
119.03708	0.8
120.04555	1.5
121.05334	1.4
122.06123	15.1
122.06959	1.3
124.04137	0.7
131.03795	1.2
132.04564	2.3
134.06120	1.2
135.03296	0.6
135.04521	0.9
144.04564	5.6
145.05330	17.5
146.02547	0.8
146.06140	8.2
147.03281	2.4
148.04056	3.3
152.03531	1.6
159.03250	4.7
160.04041	53.9
161.04822	26.3
162.05519	2.7
164.03503	1.9
174.01999	0.8
175.02823	1.2
176.03537	10.1
177.04301	9.8
188.01932	0.7
188.03493	4.1
189.04311	67.9
190.04897	6.3
191.05609	3.4
192.03056	2.6
193.03807	15.9
194.04150	0.8
198.88449	0.7
203.05928	2.1
220.06285	0.7
221.03351	15.1
221.06877	17.7
222.03622	0.9
222.07268	1.4
224.10754	0.8
231.11353	3.5
239.12067	0.7
243.11356	5.6
253.05887	7.6
255.11374	16.0
256.11765	1.1
267.11389	29.8
268.11731	2.9
271.11008	1.6
283.10886	2.7
285.09256	1.2
285.12488	4.0
299.10373	13.7
300.10684	1.6
311.10376	38.3
312.10690	4.6
313.11813	1.0
329.11404	16.7
330.11707	2.3
331.13000	22.2
332.13098	2.4
332.16882	0.8
343.12982	100.0
344.13287	11.9
361.10095	1.3
361.14041	33.4
362.14310	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.1
71.01359	1.2
72.99311	32.0
73.63869	0.5
75.00872	45.3
87.94563	0.5
89.02417	0.6
98.19875	1.5
101.02435	0.7
119.03452	0.6
119.04876	0.6
133.11241	0.6
136.74590	0.5
217.00204	0.7
269.25040	0.6
299.11337	1.0
327.48465	0.6
334.89084	0.5
359.28012	100.0
360.28360	11.6
360.32541	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01716	1.7
64.58404	0.6
71.01377	1.8
80.49917	0.6
89.02488	1.1
90.15142	0.6
96.96001	1.0
105.19144	0.7
109.06561	0.8
115.17200	0.9
119.03528	0.9
119.05091	1.2
138.24388	0.7
167.20328	0.7
181.12390	1.9
197.08240	0.8
207.10243	5.1
225.11353	19.8
226.11739	1.5
270.80066	0.8
299.11642	1.0
299.14984	8.0
315.13748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35714	3.6
59.01381	100.0
60.28702	3.5
70.22542	3.5
71.01400	17.3
71.05022	18.9
71.55512	6.2
73.02958	4.2
75.24493	3.6
82.08546	3.8
83.05011	3.9
85.05855	3.5
89.02438	14.0
94.82101	3.7
95.05023	8.6
101.02425	8.0
109.06596	13.7
109.24145	3.4
113.02443	6.4
119.03513	5.7
119.05013	6.2
121.06589	5.6
135.28207	3.7
137.06067	4.3
138.40367	3.7
140.64032	3.4
148.37677	3.6
165.09195	7.4
188.03850	3.6
189.12822	11.0
199.09691	5.7
205.16061	3.5
207.10268	4.6
217.00206	8.9
237.15013	10.3
243.17503	6.1
249.14876	9.9
287.16547	31.0
299.11319	5.6
299.26028	4.7
305.17563	14.1
359.23248	7.6
359.28003	82.6
360.28241	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	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03442	1.5
59.01384	6.5
69.03465	0.4
70.01944	0.9
71.01385	100.0
72.01722	1.6
72.99315	0.4
73.02952	0.6
76.97452	0.2
79.05505	0.3
81.03468	0.4
83.01403	0.8
83.05036	1.6
84.02167	0.2
85.02955	13.6
86.03326	0.3
87.00894	0.3
89.02445	1.9
93.03452	1.6
95.01421	0.3
95.05043	0.6
95.47159	0.2
96.96008	0.2
97.02939	0.8
97.06577	0.2
101.02448	2.5
105.03460	0.8
107.05035	4.3
109.02946	1.0
109.06625	0.3
110.03746	0.4
111.04528	3.2
112.01678	0.3
113.02454	22.2
114.02772	0.5
119.03503	0.6
119.05042	0.4
121.02969	2.0
123.04525	5.0
125.02431	1.1
125.06081	2.3
133.06610	0.5
135.04524	3.8
137.02448	0.5
137.06079	0.5
139.04030	0.4
147.08167	0.4
149.06081	0.2
149.09740	0.3
151.04013	4.1
151.07651	1.2
153.05577	9.5
154.05914	0.4
158.43939	0.2
161.04648	0.3
163.07562	0.3
165.09268	0.4
167.07129	0.4
175.07649	1.7
177.05585	0.6
179.07140	2.4
193.08699	12.3
194.09042	1.0
197.08191	65.2
198.08536	3.8
203.07088	0.4
204.48236	0.2
215.09329	0.3
221.08197	3.2
239.05594	0.3
239.09225	5.0
269.10306	1.8
299.11392	1.7
359.13477	57.6
360.13879	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	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03455	1.6
58.00577	0.4
59.01381	7.7
60.01695	0.2
68.99814	0.5
69.03455	0.4
70.85818	0.2
71.01380	100.0
71.27453	0.2
72.01717	1.5
72.97522	0.7
72.99315	0.6
73.02929	0.8
75.00898	0.3
78.16585	0.3
79.05537	0.4
81.03464	0.5
83.01387	0.8
83.05033	1.3
85.02950	13.4
86.03281	0.3
87.00883	0.8
89.02442	3.0
89.37867	0.2
93.03439	1.5
95.01345	0.5
95.05038	0.8
96.96005	0.6
97.02969	0.7
98.84755	0.2
99.00903	0.4
101.02438	3.4
105.03482	0.5
107.05025	4.2
108.02172	0.3
109.02959	1.3
109.06593	0.3
110.03738	0.4
111.04524	3.2
112.01673	0.3
112.04790	0.3
113.02447	24.0
114.02795	0.7
116.62964	0.2
119.03498	1.2
119.05014	0.8
121.02939	2.0
123.04523	5.9
125.02438	1.0
125.06082	2.2
133.06602	0.8
135.04520	4.8
137.02434	0.8
137.06079	0.7
139.03928	0.3
147.08177	0.4
149.06090	0.6
151.04004	4.6
151.07640	1.1
152.04272	0.4
153.05568	9.7
154.05882	0.3
157.06541	0.3
160.05431	0.3
161.04599	0.5
161.05969	0.3
165.09273	0.4
167.07166	0.4
175.07619	2.2
176.08107	0.2
177.05548	0.7
179.05605	0.3
179.07094	2.8
182.02238	0.3
191.05582	0.8
191.07210	0.4
193.08693	11.9
194.09056	1.0
195.06578	0.6
197.08180	69.8
198.08531	4.2
203.07036	0.3
211.05998	0.2
221.08191	3.4
239.05524	0.7
239.06650	0.3
239.09222	4.9
240.09625	0.4
254.14944	0.2
269.10275	2.3
299.11307	2.5
359.09961	2.6
359.13464	62.8
360.09558	0.4
360.13824	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	359.0981
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
57.03443	3.3
58.00587	2.3
59.01376	75.1
61.98830	1.3
69.88802	2.2
69.89211	3.5
71.01379	100.0
72.01734	1.3
72.99308	3.5
83.01381	2.6
83.05011	1.1
85.02940	15.5
87.00868	2.0
89.02437	32.6
93.03469	1.7
95.01381	4.3
96.95998	5.8
97.02934	1.2
99.00849	1.8
101.02448	24.2
107.05013	3.3
111.00887	1.3
111.04510	2.2
113.02438	30.9
114.02785	1.4
117.97178	0.9
119.03500	10.4
119.04964	2.7
120.18975	1.0
121.02930	7.6
123.00887	3.6
123.04519	2.7
125.02451	1.6
125.06110	1.2
135.04532	3.3
137.02406	6.6
138.03220	2.9
139.00339	1.8
139.04008	1.9
151.04018	3.0
153.01897	1.3
153.05534	14.0
161.04561	1.8
165.01964	1.4
166.99908	2.2
175.07623	1.6
177.05585	1.2
179.07091	2.6
180.04274	1.4
181.01404	4.3
182.02217	7.2
183.02942	1.5
191.05647	1.8
193.08676	8.1
195.06589	2.5
196.03775	4.5
197.04530	46.2
197.08173	44.6
198.04865	3.1
198.08487	2.1
211.06062	8.1
216.74246	1.0
224.03191	3.3
230.53880	1.2
239.05602	32.4
239.09212	2.4
240.05937	1.6
269.06577	2.4
298.58554	1.1
299.07739	5.2
299.11404	3.7
344.07367	2.4
359.09753	85.8
359.13574	33.3
360.10135	6.9
360.13925	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	359.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
59.01375	7.4
61.98830	2.3
65.00307	1.8
67.01884	1.7
68.99820	3.3
69.03490	0.6
71.01003	1.0
71.01383	16.2
71.54519	0.6
72.97525	0.7
72.99304	0.7
77.35094	0.4
77.68409	0.4
78.95901	0.6
79.90374	0.5
80.74421	0.5
81.03453	2.3
83.01382	15.4
85.02947	3.0
89.02445	2.6
93.03452	1.3
94.02998	2.4
96.04557	0.5
96.96008	1.4
97.02962	1.0
101.02440	2.2
107.01400	2.4
107.05002	0.9
109.02950	6.9
111.00887	0.8
111.04501	0.5
113.02451	5.0
118.98125	0.6
119.03505	1.0
119.05040	1.3
121.02962	1.1
123.04512	1.4
124.04048	5.3
125.02444	39.0
125.06050	0.8
126.02763	1.3
128.03528	0.6
133.02966	0.7
134.04723	5.7
135.00845	0.8
135.04517	10.2
136.04851	0.6
137.02415	1.1
138.01956	5.8
139.04001	0.9
143.03468	0.5
149.02431	3.7
151.00359	14.1
151.03987	1.0
152.00891	0.7
153.01932	100.0
153.05547	2.0
154.02286	4.0
154.05081	0.7
154.44394	0.5
161.04584	0.8
163.04050	0.6
167.03456	0.7
175.07690	0.6
177.01863	2.6
178.99872	4.6
179.03484	1.1
179.07092	0.7
191.05621	1.1
193.08717	1.2
195.02989	2.1
197.04565	1.6
197.08185	9.9
198.08461	0.5
201.02478	0.6
211.06122	0.5
217.00204	0.7
251.99588	0.4
257.07809	7.0
266.90665	0.5
286.45190	0.6
287.07727	1.1
297.09729	1.9
299.11441	1.3
315.07224	9.1
316.07492	1.1
341.05090	1.2
359.06351	13.6
359.10275	3.6
359.13504	5.6
360.06726	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18401	14.9
59.01381	60.9
66.99574	15.2
69.67410	100.0
78.23692	17.3
88.58728	17.7
89.02455	35.4
98.20571	24.5
114.35615	14.9
128.70078	17.1
168.12267	19.6
241.58571	18.6
307.02737	15.3
321.82773	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	357.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90704	0.3
57.03444	1.0
59.01388	2.4
60.99305	0.5
67.01896	5.0
69.03455	2.7
71.01396	3.0
71.05013	0.6
71.55178	0.6
77.13458	0.3
81.03469	1.4
83.05034	0.7
85.02956	1.0
87.00880	0.6
93.03465	28.3
94.03799	0.9
99.00861	0.4
99.04504	0.3
109.02958	1.3
111.00886	1.2
111.04535	5.1
113.02444	0.7
119.05061	0.5
123.08124	0.3
127.04014	0.7
130.08731	0.7
133.02968	0.4
134.03735	0.5
135.04561	0.5
136.07693	0.6
137.02452	4.7
139.11292	2.1
143.04932	0.3
143.52843	0.3
151.04037	0.3
155.03513	4.6
173.04553	100.0
174.04906	4.5
177.98378	0.3
183.10258	10.3
184.10628	0.5
187.02742	1.0
188.01202	0.6
188.03040	0.5
191.05637	4.8
192.05966	0.9
203.01530	0.3
251.07237	1.0
253.08694	0.5
279.06525	0.4
280.07425	0.5
288.55402	0.3
297.07544	0.6
298.08774	0.4
309.08856	0.8
323.16217	1.2
327.09735	0.9
328.10263	1.0
340.18549	0.6
342.11288	0.5
357.09872	3.2
357.15543	10.8
358.10172	0.8
358.15833	1.1
365.39749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1557
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01867	0.7
57.03444	4.7
59.01382	14.1
61.98826	2.7
67.01878	0.5
68.99823	3.2
69.03455	11.0
71.01003	1.0
71.01382	16.4
71.05017	2.8
71.25750	1.0
72.99313	0.9
73.02942	2.4
79.93832	0.5
81.03477	0.7
83.01385	2.2
83.05038	1.1
84.05317	0.5
85.02951	7.0
87.00880	1.9
89.02454	6.5
93.03459	9.5
94.03876	0.4
95.01392	1.1
97.02946	0.6
99.00887	1.4
99.04517	0.5
101.02444	13.8
107.05012	1.4
111.04533	4.2
111.08144	3.1
112.68166	0.4
113.02446	5.8
113.06085	2.3
117.03468	2.3
119.03536	2.3
119.05039	0.8
121.02983	0.8
123.08186	1.2
125.02513	0.6
127.04007	0.9
130.08771	1.9
134.03749	0.8
135.04512	2.9
136.01686	0.9
137.02469	3.0
137.06094	0.5
138.01913	0.5
139.11296	16.1
140.11615	1.0
143.03461	0.9
151.03981	1.4
153.05592	2.0
155.03505	4.7
161.04558	2.7
163.03995	1.2
173.04543	9.2
176.04013	1.1
177.05559	0.9
177.09175	1.3
183.10263	100.0
184.10576	5.9
191.05624	3.1
191.07108	0.6
195.06793	0.6
226.11949	0.6
269.11536	1.3
297.09781	1.5
314.13586	1.3
325.05505	0.7
325.09280	11.5
326.09695	1.1
328.10403	0.6
357.11823	12.3
357.15613	16.8
357.20999	0.9
358.12131	1.9
358.16159	2.5
380.75198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.01878	2.9
57.03443	5.9
58.00587	1.8
59.01385	65.1
71.01383	43.8
71.56519	1.9
72.99310	3.0
73.02959	4.5
83.01410	3.4
83.05025	3.2
84.17810	1.4
85.02958	11.9
85.74612	1.6
87.00882	3.1
88.31766	1.3
89.02454	32.4
93.03465	100.0
94.03783	3.3
95.01396	5.2
99.00880	2.0
101.02450	25.8
106.62457	1.5
113.02448	19.7
119.03510	14.7
121.03035	1.8
130.08699	2.6
133.06633	8.1
135.04500	2.6
136.05292	4.2
137.02441	8.8
143.03464	2.9
149.06091	1.7
151.04050	1.9
151.07645	25.1
161.04593	9.0
173.04535	1.9
177.05615	12.4
191.05602	10.8
192.05923	2.1
195.06624	59.9
196.07037	2.4
222.95741	1.4
222.98038	1.8
271.22687	2.0
304.99582	1.5
305.58786	1.7
317.63156	1.8
323.16241	2.4
328.27570	1.8
357.11932	97.5
358.12201	9.2
379.33575	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
57.34267	1.0
58.00592	1.5
58.57798	1.0
59.01384	31.5
69.03446	2.9
71.01384	12.1
71.05018	1.1
71.25213	2.1
72.99326	2.4
73.02957	4.2
79.95741	2.2
80.96496	1.3
83.01378	2.7
83.05042	1.7
85.02962	6.3
87.00882	3.5
88.04046	1.3
89.02449	5.3
93.03468	9.3
95.05016	1.4
96.96013	53.4
97.02906	1.3
101.02451	7.0
103.04005	3.5
105.03464	6.2
106.04264	1.7
107.05042	2.0
108.02145	1.3
113.02434	1.7
118.98095	1.8
119.03522	2.0
119.05033	2.7
120.73166	1.1
121.06583	4.4
123.04532	100.0
124.04833	4.9
130.08766	1.4
131.05016	1.2
134.03680	3.2
135.04558	2.0
145.96703	1.0
147.04556	2.1
149.06081	51.8
149.74269	1.1
150.06476	2.2
151.04016	2.0
152.07179	3.7
162.03229	2.7
165.05658	1.2
166.86784	0.9
167.07141	19.4
173.04492	1.4
176.04173	1.3
177.05556	4.7
177.09264	1.6
179.03352	1.1
180.98112	2.9
191.05553	3.2
193.05092	7.8
194.05849	1.3
195.06711	7.3
195.10255	1.5
211.06123	25.8
212.06477	2.2
213.34248	1.1
230.74200	1.2
241.00185	3.3
325.74316	1.0
357.08517	54.6
357.12128	12.7
357.21335	1.3
358.08752	3.2
358.12607	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
60.96112	0.5
61.98831	100.0
68.96059	0.6
69.85186	0.5
70.59877	1.4
87.41929	0.5
89.45104	0.6
121.02948	0.8
131.01988	0.5
151.04030	0.6
215.47903	0.5
221.15536	0.9
327.12579	0.5
357.13516	1.0
357.27078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68975	10.0
55.25925	11.4
61.98831	49.7
69.23400	100.0
83.01379	20.3
121.02943	23.7
124.48456	14.2
164.25226	11.6
192.95898	11.9
204.82697	11.5
283.26321	28.7
311.25803	16.3
329.27054	67.4
357.13443	21.8
357.30487	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	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.16280	0.3
55.50143	0.3
58.00600	0.3
59.01387	0.4
70.68954	1.2
111.73447	0.3
121.02955	100.0
122.03272	3.9
165.01897	1.4
180.05826	1.5
181.06572	6.8
182.06891	0.4
189.38232	0.3
211.07819	0.4
225.05539	5.6
226.05908	0.6
313.07181	7.2
314.07440	1.0
355.36484	0.3
357.06131	40.6
358.06476	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
59.01382	9.8
63.42212	0.4
63.82785	0.4
64.21873	0.5
66.61671	0.4
67.00402	0.4
71.01386	5.3
71.55607	0.5
75.51101	0.4
85.02946	3.0
87.00881	0.6
89.02441	3.0
96.96004	1.0
97.26306	0.4
101.02448	2.0
112.56853	0.4
113.02441	2.2
114.00213	0.4
119.03496	1.0
132.02173	14.3
133.02542	0.5
133.54427	0.5
134.03749	11.4
135.04205	0.6
136.04959	0.5
137.02477	0.6
147.04549	0.9
149.06070	3.2
160.01662	64.7
161.02037	2.6
174.03233	0.6
175.04002	100.0
176.04346	5.9
178.02748	2.2
189.39977	0.4
191.03510	1.1
191.05588	2.3
191.07182	1.7
192.06007	0.7
193.04990	23.1
194.05397	1.2
202.02765	0.7
206.05858	1.1
207.06743	0.5
209.02919	1.0
217.05037	5.5
221.08157	1.0
235.06129	2.9
265.07190	1.2
273.85095	0.5
295.08173	1.4
297.51450	0.5
355.06116	0.5
355.10306	7.9
356.10626	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58150	0.4
56.75274	0.3
59.01382	8.4
60.39645	0.4
64.28204	0.4
66.35751	0.4
69.32204	3.2
71.01383	4.7
85.02945	3.4
86.03336	0.6
89.02438	3.0
90.24929	0.4
93.03481	0.5
95.01415	0.6
101.02457	1.3
113.02471	1.7
119.03518	1.1
127.04048	0.4
132.02171	12.9
133.02557	0.5
134.03751	9.3
134.04733	0.7
147.04561	1.0
149.06064	1.7
160.01660	66.4
161.02000	3.3
161.04488	0.5
175.03998	100.0
176.04327	5.9
178.02721	0.8
179.03369	0.4
187.76241	0.5
191.05600	6.4
191.07167	1.7
192.05931	4.4
193.04782	13.6
194.05461	0.6
202.02682	1.2
207.06543	0.6
217.05028	5.7
218.05373	0.5
221.08205	0.4
235.06102	3.6
261.92047	0.5
265.07190	0.6
295.08221	2.1
355.10300	6.7
356.10349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.95301	1.1
59.01376	1.5
60.17977	1.0
85.02943	1.9
98.20667	2.7
102.65700	1.0
109.02934	3.1
122.03741	8.5
125.06123	1.1
127.07650	1.2
133.39786	0.9
135.04524	23.2
136.01675	1.8
138.01022	1.0
147.08156	1.7
149.06020	1.1
149.09763	6.7
151.07655	3.8
154.02707	2.7
161.09732	10.2
163.07631	2.7
163.09892	1.8
163.11282	51.3
164.08414	15.8
164.11584	3.9
165.09222	8.0
177.09204	70.3
178.09998	20.1
179.10773	68.2
180.11169	4.7
183.10191	1.9
187.11269	1.5
191.10757	11.5
193.08701	7.3
229.31050	1.1
265.12518	1.5
280.14664	3.1
281.14969	1.1
298.15714	46.9
299.16125	5.0
307.17102	1.9
309.22266	1.8
322.19409	1.6
337.21738	49.5
338.21973	7.1
340.20398	100.0
341.20700	11.5
355.22775	94.5
355.27368	1.0
355.28928	1.7
356.23102	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	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11059	1.3
51.78445	1.2
55.01886	1.3
55.81505	1.4
57.03449	1.6
59.01104	2.3
59.01381	29.2
59.11954	1.2
67.44751	1.5
69.29858	13.2
70.09281	1.2
70.60126	1.2
71.01379	16.2
72.99322	2.8
73.02959	1.5
73.07078	1.6
83.01395	1.8
85.02953	9.0
87.00893	2.9
88.95697	1.3
89.02455	10.2
93.03458	4.2
93.27814	1.6
93.43080	1.4
96.96028	2.4
101.02439	7.2
113.02470	7.0
117.09815	1.4
119.03546	1.9
121.02947	2.0
123.04504	3.6
132.02184	14.4
133.02940	5.6
134.03749	53.8
135.04524	4.1
137.02405	2.9
147.04524	5.4
148.05307	2.7
149.06099	16.8
160.01668	72.2
161.01994	2.9
173.04597	3.7
175.04015	100.0
176.04814	18.3
176.54167	2.4
177.01881	2.7
178.02696	8.5
179.03467	1.8
191.05545	4.6
191.07133	22.3
192.05943	2.1
192.07623	1.7
193.05052	64.4
194.05412	2.4
202.02737	2.0
207.06590	6.4
209.02881	3.4
217.05035	7.8
220.03729	2.7
223.06183	1.7
235.06111	48.3
236.06444	2.4
256.01913	1.7
265.07169	29.5
266.26108	1.4
295.04932	2.9
295.08249	56.3
296.08551	5.1
315.07214	1.7
355.10431	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	353.2123
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.79192	0.2
59.01366	0.2
68.58572	0.2
69.72763	0.8
69.73169	0.4
74.16282	0.2
77.78410	0.2
79.95766	0.3
84.07689	0.2
96.96014	1.7
126.51395	0.2
131.84116	0.2
140.03360	0.2
147.08167	0.3
151.09909	0.2
153.25819	0.2
161.06052	0.2
163.11299	85.0
164.11641	5.5
177.09221	68.6
178.09567	4.1
191.05591	0.2
191.29187	0.2
222.09010	0.6
244.94453	0.2
353.21219	100.0
354.21558	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	355.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00211	2.3
57.03451	11.4
59.01379	26.3
62.97199	2.0
64.48144	2.4
67.23037	2.0
71.01389	25.6
71.54110	3.6
72.99306	5.5
73.02951	9.4
75.00874	2.8
83.01394	3.7
84.02171	2.8
85.02957	93.0
86.03282	2.8
87.00899	4.6
89.02444	13.3
93.03446	11.6
99.00897	11.7
99.04543	4.0
101.02455	18.5
103.07842	2.2
110.75919	2.2
111.00896	22.3
111.04499	8.5
112.98825	21.5
113.02444	4.9
119.03497	3.1
119.05004	2.4
129.01949	17.2
137.02422	4.0
142.99860	3.2
147.03006	10.0
149.04527	2.8
155.03526	10.5
163.06097	6.9
173.00931	14.4
173.04582	37.9
174.07681	4.2
175.06143	2.6
181.07181	100.0
191.01991	32.6
191.05650	4.3
209.03032	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	355.1036
Annotation	Gentiopicrin
Peak:m/z	Relative Intensity
55.01861	2.2
57.03439	3.7
59.01387	9.1
59.98796	1.4
61.98824	2.6
70.69847	3.1
70.70171	2.4
71.01382	25.5
73.02934	8.2
75.14702	1.5
82.91914	1.9
85.02956	33.6
87.00870	4.4
89.02445	2.2
91.70608	1.6
93.03444	6.7
94.03822	2.2
96.96036	2.5
99.00881	2.6
101.02451	13.5
106.04250	18.6
109.02955	3.8
113.02473	9.3
119.05057	2.3
121.02962	3.6
128.04294	1.7
129.01926	2.2
133.02957	5.0
134.03748	100.0
135.04341	3.7
135.04596	2.9
136.04846	2.1
137.02461	11.1
137.43053	1.5
142.65440	1.7
146.66168	1.5
147.26552	1.6
149.02408	3.0
149.06090	84.2
150.06372	4.4
159.03030	2.4
161.02501	2.2
161.04512	6.5
162.02820	2.3
163.04134	2.1
164.04610	1.6
173.04553	5.4
174.04919	2.5
175.05067	3.9
178.02725	11.5
179.03470	3.3
181.04025	3.5
191.02023	3.1
191.05618	40.7
192.05968	38.8
193.04768	79.4
193.06363	19.2
194.05379	5.3
209.03006	7.2
355.10037	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1039
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.75552	0.6
59.01386	7.2
64.56817	0.5
67.01881	0.9
69.43615	2.3
69.44043	1.9
71.01381	1.4
73.02940	1.1
81.03449	0.6
85.02953	10.8
87.00864	3.1
93.03465	7.8
98.19847	0.7
99.04538	0.8
104.05071	19.6
109.02953	1.1
111.04487	1.0
116.05067	3.4
118.06667	1.3
120.04498	0.8
121.84113	0.5
126.20744	0.6
127.03987	1.9
128.03529	2.2
131.03810	3.6
132.04564	84.0
133.02950	1.6
133.04938	3.5
134.06105	0.9
135.03372	0.7
135.04526	3.0
138.05630	0.7
144.04549	9.3
146.06067	1.1
148.04036	2.1
150.05614	2.7
160.04030	1.7
161.02457	2.4
162.05658	0.7
164.07155	4.1
166.08990	0.6
171.03030	1.0
172.04060	18.2
173.04541	6.0
174.05649	1.4
174.09262	1.4
175.05069	1.1
175.13705	0.7
176.04099	0.9
179.03496	1.6
190.05112	44.8
191.05626	100.0
192.06088	1.2
194.08211	1.4
204.06619	3.0
222.07721	4.6
224.09195	1.1
232.09694	0.9
308.11362	17.7
309.11722	1.6
337.03433	0.6
339.05093	2.1
352.10394	55.9
353.11096	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	353.0879
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
57.03434	0.3
59.01387	1.7
60.99310	0.3
68.78559	0.2
69.03444	0.3
71.00005	0.3
71.00332	0.3
71.01371	1.0
72.99333	0.3
73.02948	0.4
77.11440	0.3
81.03453	0.5
83.05025	0.3
83.15832	0.3
84.53265	0.3
85.02950	7.0
86.46301	0.2
87.00862	1.9
89.02416	0.4
93.03467	3.1
96.96023	0.3
99.04508	0.3
109.02962	0.6
111.04501	1.2
113.02466	0.3
125.29755	0.3
127.04028	1.9
133.02969	0.7
135.04521	2.8
145.05128	0.3
155.03528	0.3
161.02435	2.0
171.03067	0.5
173.04546	3.1
179.03537	2.2
185.11827	0.5
191.05611	100.0
192.05971	3.7
213.01802	0.3
214.02733	0.4
353.03244	0.7
353.09122	1.7
353.13126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18681	0.1
57.03445	0.1
59.01387	0.3
59.22295	0.1
61.98829	0.2
67.01894	0.2
68.99828	0.2
69.03451	0.2
71.01385	1.4
71.55163	0.2
74.34309	0.1
81.03485	0.1
83.01400	0.1
83.05068	0.1
85.02951	1.4
87.00895	0.4
87.76316	0.1
91.05550	0.3
93.03461	1.2
94.03831	0.1
95.01371	0.1
97.02969	0.2
99.00861	0.1
99.04504	0.1
105.03477	0.1
106.04264	0.2
107.05022	0.8
107.86453	0.1
108.02174	2.3
109.02966	1.0
110.03358	0.2
111.00883	1.0
111.04530	0.2
113.02477	0.1
117.03439	0.1
121.02950	2.5
122.03775	1.2
123.00903	0.4
123.04555	0.3
124.01667	7.1
125.02466	3.1
126.03242	1.5
127.04012	0.6
132.02159	0.3
133.02963	2.4
134.03760	7.9
135.04526	100.0
136.04817	4.7
137.02443	3.3
137.06078	0.2
138.02884	0.1
139.00356	0.1
139.04010	0.8
145.02972	0.8
146.05888	0.7
147.04544	0.1
148.05339	0.2
149.02429	0.3
149.06091	0.5
150.03227	4.7
151.04010	12.8
152.04358	0.6
154.02724	0.3
159.04718	0.1
160.01674	0.7
161.02446	5.6
161.06056	0.5
162.03238	1.3
163.04059	0.6
167.03539	0.3
171.03047	0.1
173.04565	1.7
173.06026	0.2
174.04910	0.1
175.03958	0.2
177.01935	0.2
177.05569	0.5
178.02679	1.0
179.03496	27.4
180.03989	1.8
181.05078	0.3
187.07660	0.2
189.05589	0.5
191.05611	4.2
192.05981	0.2
194.02209	1.4
203.03514	0.2
203.07153	0.1
204.04337	0.1
205.05052	0.2
216.05956	0.1
221.04507	0.2
222.05334	0.1
240.84090	0.1
246.08936	0.1
263.09219	0.2
290.07922	0.7
291.08649	0.2
307.08197	1.0
308.08969	2.4
309.09457	0.2
352.07883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1199
Annotation	Dibenzo[h,rst]pentaphene
Peak:m/z	Relative Intensity
53.33375	1.4
57.03422	1.4
59.01381	8.4
61.33689	1.2
61.98830	2.7
62.98611	1.3
63.56119	1.3
67.01873	6.0
69.70419	8.3
71.01373	4.4
72.99317	1.7
76.22591	1.2
81.03416	2.2
84.02159	4.8
85.02954	11.1
87.00874	11.2
89.02434	2.6
93.03462	34.4
93.80334	1.2
94.03806	1.6
95.04987	1.3
98.19981	2.6
99.04502	1.7
104.05053	23.0
105.03425	6.4
107.05022	3.3
108.04521	2.6
109.02974	11.0
110.02492	1.7
111.04494	4.3
113.02469	1.9
116.05058	7.1
118.02953	1.9
118.96443	1.3
121.02946	3.1
122.06152	2.0
128.21909	1.3
131.03815	8.9
132.04555	90.4
133.02965	49.2
133.04907	3.4
134.06131	16.8
135.04514	24.6
137.02432	1.5
138.05606	3.8
141.76224	1.4
144.04546	17.9
146.02435	2.0
146.06140	3.7
148.04012	3.2
149.02461	1.3
150.03230	2.5
151.03963	3.5
155.03467	2.5
160.04015	7.9
160.25056	1.4
161.02452	2.8
162.05609	14.4
164.07080	2.0
166.05121	2.4
167.05846	1.8
172.04039	24.2
173.04572	30.1
176.04002	2.0
177.01939	18.1
179.03497	7.6
179.53944	1.4
188.03520	1.6
189.04303	32.1
190.05098	61.7
191.05617	77.0
192.06157	2.1
204.06610	5.1
206.04593	14.6
215.05594	20.1
217.09724	4.6
221.06941	55.8
222.07469	3.8
229.01224	3.4
231.11188	2.2
247.10696	2.2
264.12457	1.9
275.10416	14.7
289.11856	2.7
307.08051	2.1
307.12741	7.6
318.93921	1.4
321.03754	1.6
337.03458	2.2
339.04974	7.0
351.07230	16.5
351.11865	100.0
351.15891	5.1
352.07874	5.3
352.12714	7.9
357.40936	2.0
363.02676	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.26046	0.2
61.98834	100.0
62.98550	0.3
63.99260	0.6
70.47746	0.3
71.53457	0.4
130.19122	0.3
162.98470	1.9
163.98532	0.3
187.09721	0.3
204.00005	1.0
205.00163	2.4
205.99767	3.4
206.97456	73.5
207.97536	5.6
348.98517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
78.03474	0.8
82.76431	0.5
92.05057	2.2
93.58208	0.5
94.06616	2.3
96.04550	0.6
96.95964	0.7
101.02437	0.7
104.05036	2.4
105.03458	1.4
106.06631	11.0
108.04559	2.1
110.02489	2.8
112.04034	1.4
120.04565	4.5
121.05328	1.8
122.02438	0.7
122.06123	12.6
132.04559	6.1
135.03250	0.6
136.04027	2.6
138.05592	2.2
139.02763	3.6
144.08205	1.1
148.04045	1.2
150.05650	4.0
151.03065	0.5
152.03558	1.1
154.05090	25.3
156.08195	1.0
164.03502	0.7
175.06381	1.3
183.78320	0.5
190.08762	0.7
193.04985	0.6
194.79156	0.6
200.10876	1.5
213.06664	1.4
216.10298	1.0
226.07350	1.0
227.08180	0.8
229.09851	0.9
231.07617	1.1
239.08292	1.5
241.09911	0.7
243.11436	0.6
257.09338	1.7
269.09357	1.5
305.11423	100.0
306.11792	8.6
349.10318	13.0
349.14349	0.7
350.10553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.6
70.56257	2.5
71.01381	2.3
73.03763	0.7
74.02440	1.4
83.04994	0.9
89.02463	2.5
91.04006	3.8
96.96062	0.9
97.06564	0.9
116.05025	1.3
132.46449	0.8
145.05087	1.3
151.11237	4.9
153.12872	1.6
169.12343	100.0
170.12671	4.3
179.10817	1.5
193.79839	0.8
197.11833	63.0
198.12267	4.2
203.08247	3.1
231.16389	0.9
241.10791	8.2
245.09297	4.8
315.14487	71.1
316.14728	5.5
347.12686	1.9
347.17093	32.8
348.17346	3.6
367.66815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.1
57.03448	8.9
59.01381	19.7
61.98829	8.3
63.24867	3.7
67.01908	5.3
68.99809	5.3
69.87296	9.9
69.87686	7.1
71.01381	54.9
73.02926	10.1
83.01389	13.2
85.02969	11.7
98.20762	3.8
99.00877	41.8
106.62601	3.8
111.00877	26.0
112.98805	76.9
115.00387	12.4
117.00471	8.9
121.03011	3.6
124.98772	9.8
129.01961	24.8
131.02007	7.1
134.04677	7.8
142.98715	4.9
142.99857	100.0
143.01851	6.4
145.01463	5.1
159.64209	4.2
169.00000	5.9
173.00888	57.9
221.13815	4.0
227.00426	8.4
254.99994	15.5
287.02826	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	346.0557
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
59.01369	1.6
61.98830	3.4
62.96402	0.7
70.08597	1.6
71.01373	0.7
75.15089	0.4
78.95908	53.6
81.77847	0.4
85.02937	0.4
89.02483	0.5
96.96970	12.7
97.27282	0.4
98.20026	0.5
101.02470	0.7
107.03632	1.9
113.02483	0.4
120.96977	6.4
134.04735	34.1
135.05141	0.6
148.06288	1.0
151.54761	0.4
153.14310	0.4
162.97928	0.4
165.04051	0.4
204.00047	1.3
211.00137	100.0
212.00468	2.3
227.97830	0.4
240.33211	0.4
286.03406	0.6
287.03128	0.7
304.07895	0.6
346.05566	13.1
346.09247	0.6
347.05725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
58.00593	4.4
59.01379	12.6
71.01374	9.1
72.99303	2.7
73.02950	14.5
90.09343	0.6
93.71057	0.6
103.04015	1.0
123.59686	0.6
165.05634	1.0
186.95654	0.9
239.23778	11.7
248.95976	0.7
251.23637	0.9
261.25858	1.2
266.01434	0.6
267.23260	6.5
267.26846	1.9
269.24832	29.9
270.25165	3.0
279.23495	0.8
279.26672	0.9
281.24930	3.5
283.26395	17.2
284.26804	1.4
286.18826	0.7
290.97165	0.9
295.26389	1.5
297.24338	5.0
297.28000	6.8
298.28290	0.9
299.25882	58.4
300.26202	6.5
309.20728	3.1
309.27856	3.6
311.25986	3.2
313.27469	16.1
314.27872	2.1
325.27460	6.3
327.29065	4.5
345.30069	100.0
346.30426	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	346.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16493	0.3
50.64968	0.3
59.01377	17.3
60.01715	2.0
61.01806	0.8
61.98829	100.0
68.01198	0.4
68.52696	0.3
69.23498	0.4
70.99349	0.8
81.56611	0.4
84.01025	0.4
86.87850	0.4
103.11353	0.4
121.79872	0.4
158.03804	0.4
159.03320	0.7
177.79741	0.4
201.02551	2.8
202.02721	8.7
203.02260	11.3
203.99985	48.3
204.02713	2.8
205.00128	4.3
205.02982	0.5
253.54060	0.4
294.13837	0.4
346.00909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	15.8
69.47204	78.6
80.23340	9.6
80.34255	8.6
83.61317	9.3
197.11823	31.1
278.29382	10.9
290.97086	14.9
309.20758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70044	0.8
59.01377	100.0
60.01702	1.3
71.55991	1.4
73.86149	0.8
75.89934	0.9
100.46828	0.7
123.04481	1.0
187.41068	0.8
197.11752	0.8
209.16438	0.8
211.13397	7.5
269.52707	0.9
276.12134	0.9
285.16748	0.9
303.21671	3.4
345.23053	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	345.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90264	0.4
54.96246	0.4
57.03440	0.8
59.01384	29.1
67.13415	0.4
71.05043	0.6
78.77190	0.4
96.96036	0.6
97.06578	0.5
99.08169	4.8
101.84106	0.4
110.90508	0.4
111.08123	0.7
113.09718	2.0
123.08157	0.7
125.09723	0.8
127.07557	0.5
127.11285	1.3
129.09229	10.1
139.11237	1.0
141.09216	0.7
141.12842	0.5
143.10777	5.3
155.10774	1.8
157.12346	1.2
169.12354	0.6
209.19098	0.8
227.20143	1.4
228.99774	0.4
229.01779	0.4
232.83041	0.4
235.16931	0.9
237.18604	4.7
239.20204	2.6
255.19572	1.9
257.21243	9.6
258.21646	1.2
285.20715	19.2
286.21100	1.7
303.21774	100.0
304.18704	0.5
304.22113	8.6
311.80634	0.4
345.22827	31.5
346.23175	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	343.2851
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
54.60800	0.5
56.99590	0.6
59.01371	1.5
69.81729	3.0
72.99308	38.7
73.99677	0.6
75.00465	0.8
75.00875	11.6
89.23756	0.5
328.02106	0.7
343.28497	100.0
344.28802	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	344.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03436	0.9
58.00582	2.8
59.01382	84.2
60.01701	3.4
61.98833	7.5
62.12111	1.0
70.94965	1.3
70.95292	1.4
71.01385	36.0
72.01704	1.6
72.99304	2.5
77.09078	1.0
83.01377	2.7
85.02953	8.0
87.00900	2.2
89.02445	34.1
92.05063	6.8
95.01384	3.7
99.00932	1.1
101.02451	22.3
105.66534	1.0
108.04555	4.2
108.10207	1.0
113.02444	12.3
119.03506	13.4
120.04561	27.2
121.04864	1.1
122.06133	6.8
136.04065	6.9
138.05615	40.2
139.05943	2.0
157.27423	1.0
161.04666	1.4
164.03537	77.4
165.03851	3.4
165.05295	0.9
179.05547	3.1
180.06596	2.8
198.99467	4.2
201.02545	13.2
202.02782	9.9
203.02278	2.7
207.04347	1.2
237.01065	1.8
249.64450	1.3
263.06232	1.2
285.03241	8.8
291.62778	0.9
300.10846	19.4
301.11230	1.4
330.10876	1.0
344.09805	100.0
344.88901	1.8
345.04990	1.7
345.10141	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.249
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
56.65803	0.4
57.03440	0.6
59.01380	3.0
69.03441	1.3
70.56047	1.0
70.56758	0.3
74.73864	0.4
83.05038	0.7
88.51066	0.3
89.96622	0.4
97.02902	0.4
99.08172	4.9
111.08142	0.4
113.09737	0.4
121.02942	0.4
121.10245	4.3
125.09725	1.9
127.11279	1.1
133.99609	0.4
137.09708	1.5
139.11305	1.0
144.53603	0.4
147.03011	0.3
153.09320	0.5
165.12883	1.0
171.10274	32.3
172.10593	1.5
175.11307	0.6
193.12349	8.9
194.12717	0.6
210.48715	0.4
211.13361	2.2
225.12737	0.8
225.14963	12.4
226.15306	1.1
242.32222	0.4
243.15999	5.2
293.21234	2.4
299.20285	1.0
311.22360	0.8
325.23801	0.5
328.01828	0.5
343.24878	100.0
344.21219	0.7
344.25226	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01379	12.5
69.03450	2.2
71.54767	2.6
81.78336	1.4
92.20587	1.4
99.08162	9.6
116.34099	1.6
121.02952	2.2
171.10226	7.4
172.10614	2.0
193.12320	16.7
201.02452	3.9
209.11691	1.9
211.13489	3.7
222.68762	1.9
225.14966	18.2
243.16039	7.0
272.40274	1.6
343.24872	100.0
344.25287	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03400	1.5
59.01326	28.2
59.01647	1.6
68.29938	0.6
69.03410	0.8
71.01338	0.7
71.04988	1.2
71.55175	0.8
72.99274	0.6
83.04970	0.6
85.02895	0.7
85.06597	2.6
89.02392	0.7
97.06522	2.5
99.08122	0.7
111.04428	0.7
111.08113	1.3
113.09703	0.6
115.07648	5.8
127.11232	0.9
129.09140	1.7
139.11241	1.0
140.11815	0.6
143.10722	1.8
155.10767	0.7
157.12352	2.8
181.15985	0.7
213.09566	1.0
215.91170	0.6
226.02682	0.8
237.18643	2.9
255.19655	0.8
262.76120	0.5
283.19147	21.3
284.19467	1.5
285.03952	1.0
301.20193	100.0
302.20566	9.2
313.00085	1.1
313.03397	3.7
327.04980	0.8
328.05991	1.2
343.08118	4.8
343.21252	23.1
344.08313	0.8
344.21701	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58890	0.5
59.01379	100.0
59.54533	0.5
60.01697	1.1
61.04918	0.4
71.01383	4.1
71.55608	0.7
78.06265	0.5
89.02442	5.6
101.02468	1.8
113.02460	1.3
119.03535	1.9
120.99686	1.3
141.82031	0.5
143.03490	0.7
158.89748	0.5
179.05635	1.2
227.75397	0.4
248.24799	0.5
343.08496	0.9
356.71588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62621	0.8
52.44129	1.0
57.39385	0.9
58.00607	1.1
59.01146	1.0
59.01385	10.9
64.71362	0.9
71.01389	24.5
71.05021	1.6
71.47417	1.7
72.01756	0.9
73.02941	2.4
81.03466	1.1
83.05041	2.4
90.29610	1.0
95.67081	0.9
97.02947	2.0
101.06097	1.8
109.06590	9.9
121.03017	1.3
125.09747	1.5
127.11289	1.0
135.08203	1.5
163.11266	5.8
171.10321	3.5
181.12344	2.4
199.09737	2.5
201.02498	2.8
207.10233	9.4
225.11394	1.5
246.62172	1.0
269.21075	1.6
307.26483	1.6
313.00031	2.4
322.13803	1.0
325.27448	9.1
338.53494	1.2
341.27032	6.7
343.04587	1.1
343.22772	16.2
343.28546	100.0
344.23035	1.4
344.24466	1.1
344.28873	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	343.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93143	0.7
52.63223	0.7
55.01871	1.6
57.03455	1.9
57.70713	0.8
58.00576	3.7
59.01379	100.0
60.01721	2.3
60.41774	0.7
61.01797	4.1
68.09175	0.7
69.66287	1.2
69.66703	3.6
71.01379	61.7
72.01706	2.3
72.99306	3.1
73.01814	2.0
73.02951	4.0
78.98612	0.9
83.01382	2.3
85.02948	12.9
87.00884	3.9
89.02442	78.5
90.02782	3.1
91.02876	3.6
95.01378	3.9
97.02941	0.9
101.02439	49.4
102.02770	1.2
103.02869	1.5
103.85658	0.9
113.02451	23.1
114.02760	1.8
115.02898	1.1
119.03503	30.2
120.03874	1.6
121.03936	2.6
131.03485	6.8
143.03537	7.0
147.42131	0.9
149.04555	2.4
161.04559	9.0
163.04922	1.0
163.06129	10.0
177.79494	0.9
179.05605	30.2
180.05922	2.7
181.06012	2.2
181.07256	15.8
187.78081	0.9
199.04695	0.8
201.46893	0.7
283.10065	1.2
293.24673	0.9
343.12354	81.3
344.12756	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	343.1243
Annotation	maltitol
Peak:m/z	Relative Intensity
50.93143	0.7
52.63223	0.7
55.01871	1.6
57.03455	1.9
57.70713	0.8
58.00576	3.7
59.01379	100.0
60.01721	2.3
60.41774	0.7
61.01797	4.1
68.09175	0.7
69.66287	1.2
69.66703	3.6
71.01379	61.7
72.01706	2.3
72.99306	3.1
73.01814	2.0
73.02951	4.0
78.98612	0.9
83.01382	2.3
85.02948	12.9
87.00884	3.9
89.02442	78.5
90.02782	3.1
91.02876	3.6
95.01378	3.9
97.02941	0.9
101.02439	49.4
102.02770	1.2
103.02869	1.5
103.85658	0.9
113.02451	23.1
114.02760	1.8
115.02898	1.1
119.03503	30.2
120.03874	1.6
121.03936	2.6
131.03485	6.8
143.03537	7.0
147.42131	0.9
149.04555	2.4
161.04559	9.0
163.04922	1.0
163.06129	10.0
177.79494	0.9
179.05605	30.2
180.05922	2.7
181.06012	2.2
181.07256	15.8
187.78081	0.9
199.04695	0.8
201.46893	0.7
283.10065	1.2
293.24673	0.9
343.12354	81.3
344.12756	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	343.1069
Annotation	CHEMBL460255
Peak:m/z	Relative Intensity
52.32951	0.2
59.01380	2.5
69.36138	2.0
71.01395	1.1
72.99302	0.5
73.02963	0.5
75.03487	0.3
79.95750	2.2
80.96515	1.2
83.01376	0.4
85.02931	0.5
87.00829	0.3
89.02446	0.4
96.96013	97.0
97.95921	0.3
101.02442	2.0
113.02512	0.6
114.68486	0.2
121.03006	0.3
122.97559	0.4
132.34067	0.3
138.97029	0.9
141.18295	0.3
150.97112	0.6
152.98618	0.4
160.25388	0.2
160.63782	0.3
171.10248	0.3
180.98167	2.8
181.23540	0.3
185.77254	0.3
239.44495	0.3
241.00230	3.2
280.10895	0.3
343.10669	100.0
344.11002	7.4
344.14978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99607	2.1
59.01380	65.3
71.01371	4.1
71.54780	1.2
74.99095	2.0
80.75816	0.9
85.02948	2.3
89.02451	3.4
93.03449	1.4
101.02431	3.3
102.98603	13.2
109.02935	1.2
113.02425	2.2
116.07154	1.1
118.98092	7.5
119.03496	1.1
120.99619	3.5
121.02959	100.0
122.03228	4.2
123.04524	0.9
130.08731	3.3
133.02922	1.0
134.03690	2.0
135.04515	6.5
136.05287	5.0
137.06050	1.0
149.06065	5.0
152.07166	1.3
157.13498	1.2
161.04590	1.0
163.00693	1.3
163.03903	1.1
179.03435	3.3
180.04274	6.7
181.05054	1.5
191.05589	3.0
213.05881	8.4
229.74480	0.8
234.41592	0.9
255.10292	1.4
283.08249	0.9
300.15637	1.6
309.14594	4.2
326.16931	1.2
343.09973	4.9
344.18225	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	83.5
60.01719	0.8
69.77886	1.0
77.07987	0.2
78.90972	0.3
113.04606	0.4
115.02492	0.4
132.32317	0.2
157.03572	6.8
158.03667	0.6
159.01495	2.3
178.95044	0.3
201.02557	100.0
202.02733	8.1
259.01001	0.2
343.03702	3.8
344.03830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
55.01875	1.1
57.03455	1.0
58.00594	2.0
59.01379	66.3
60.01720	0.9
65.03951	0.9
69.03455	2.2
70.22805	0.7
70.23192	1.0
71.01381	40.3
72.01715	0.5
72.98575	0.4
72.99300	2.7
73.02966	2.6
81.03478	1.2
83.01395	2.1
85.02950	9.8
87.00884	1.9
89.02446	34.7
90.02757	0.5
91.05540	1.6
93.03458	100.0
94.03791	3.7
95.01391	3.3
95.04999	1.0
99.00905	0.8
101.02440	25.5
102.02757	0.7
102.98597	1.0
105.03446	0.8
107.05021	4.4
108.02117	0.4
109.06586	1.2
111.04510	1.5
113.02449	15.6
115.05565	0.7
117.03465	0.7
119.03513	16.2
119.05012	13.8
120.03866	0.5
120.05344	0.8
121.02943	2.8
123.04525	0.8
125.02455	0.7
131.03513	1.4
131.05045	1.0
133.02972	0.8
133.06596	1.9
135.04518	5.1
137.02446	25.1
137.06079	30.2
138.02838	1.1
138.06389	1.3
143.03462	2.3
147.04497	0.6
149.04553	0.5
149.06042	1.0
151.04002	2.2
157.48381	0.4
161.02487	4.7
161.04549	3.7
161.06052	2.3
163.04002	15.7
164.04402	1.0
165.05495	0.6
175.03981	0.7
177.05553	1.4
179.03517	4.3
179.05740	3.3
179.07153	1.3
181.05063	72.6
182.05394	3.6
191.07179	0.6
193.04991	0.7
195.06638	3.2
205.05055	7.8
223.06091	4.9
235.06039	0.7
253.07178	0.7
283.08090	0.6
343.10309	84.0
344.10611	8.7
344.17422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15773	0.3
59.01379	3.1
65.40551	0.3
67.01877	0.3
69.03170	0.3
69.03454	2.9
71.01381	1.9
71.54357	0.3
76.61705	0.3
79.05547	0.3
81.03451	0.4
83.05029	1.5
84.02158	2.2
85.02956	0.5
89.02462	2.0
95.05030	0.4
97.06586	10.6
98.06957	0.3
99.04507	0.9
101.02425	1.1
104.08695	0.3
107.05061	0.4
110.11266	0.3
111.08194	0.3
113.02434	0.6
114.78867	0.2
119.03509	0.7
119.05003	0.4
119.08648	0.5
125.09702	1.4
135.08124	0.5
137.09727	1.1
143.03503	0.4
149.13300	0.4
151.11246	0.4
165.12808	0.7
171.10271	7.1
172.10574	0.4
175.11308	0.7
177.12791	0.4
179.05615	0.6
183.13899	1.3
185.11798	0.7
186.77298	0.3
193.12325	14.3
194.12642	0.8
197.11661	0.3
197.15462	0.7
203.10728	0.4
207.13934	0.4
210.12320	0.3
211.13387	4.2
221.11810	1.0
225.14961	22.5
226.15256	1.5
235.13239	0.3
238.11990	0.3
243.16000	7.8
244.16339	0.5
253.14374	1.1
273.18860	0.3
291.19614	0.9
305.21048	0.4
323.22287	0.4
341.23312	100.0
342.23682	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07470	5.5
56.07740	5.3
58.95214	4.8
59.01382	71.0
70.69564	7.2
70.69933	13.7
71.01379	100.0
73.02939	9.6
79.97240	5.3
85.02943	13.0
89.02447	21.9
97.02969	12.3
97.06568	17.1
101.02417	16.3
109.06586	61.2
112.74500	4.8
113.02460	17.0
119.03442	7.6
119.05039	10.4
121.06592	7.5
135.08192	10.7
161.02495	9.2
161.04486	6.4
163.11232	40.2
171.10254	8.1
179.05620	17.8
181.12321	12.3
185.11769	10.4
199.09729	9.6
207.10242	72.4
225.11288	13.9
226.99812	6.1
324.18326	28.5
341.10831	14.2
341.23163	9.3
341.27347	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
59.01379	1.5
69.03462	2.5
69.46617	3.6
71.01385	0.8
83.05026	1.4
84.02175	5.9
89.02453	0.6
97.02950	2.0
97.06595	10.1
99.04529	1.7
119.08660	0.8
125.09686	1.4
132.27843	0.5
137.09729	1.3
149.13382	0.6
165.12831	0.5
171.10272	16.9
172.10626	0.9
175.11269	1.3
185.11792	0.7
193.12338	14.7
194.12671	0.6
211.13449	2.0
221.11819	1.2
225.14980	17.6
226.05191	0.5
226.15269	1.8
243.16017	7.3
253.14319	0.9
291.19705	1.9
323.22235	0.7
341.23334	100.0
342.23718	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03441	1.7
58.00592	2.9
59.01378	100.0
60.01722	1.0
70.65591	2.0
71.01380	67.2
72.01723	1.4
72.99312	2.9
73.02955	1.7
83.01392	2.3
85.02952	9.4
87.00878	4.4
89.02444	83.8
90.02784	1.1
95.01389	4.1
97.02937	0.9
99.00869	0.8
101.02446	31.1
102.02799	1.2
107.03512	0.9
110.51164	0.7
112.24883	0.7
113.02447	25.0
115.03964	1.0
119.03506	28.0
125.02439	1.1
131.03535	5.0
143.03499	6.9
149.04558	2.8
159.02979	1.2
161.04544	11.3
179.05605	36.2
180.05891	1.5
185.53998	0.7
278.58826	0.7
291.17081	0.7
341.10861	55.9
342.11017	3.4
346.64139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61491	1.0
57.03440	1.1
58.00592	3.9
59.01384	100.0
60.01717	1.0
69.42690	7.5
71.01388	68.7
72.99306	1.4
73.02943	1.3
76.54753	0.9
81.01726	0.9
83.01395	2.4
85.02949	10.5
87.00883	3.4
89.02451	87.4
90.02735	1.2
95.01393	3.7
101.01788	1.8
101.02453	33.5
113.02458	26.3
119.03503	33.9
131.03513	4.5
143.03503	10.2
149.04572	5.2
161.04570	9.9
179.05620	41.3
180.05963	1.3
214.14253	1.1
309.46967	1.1
341.10907	54.5
342.11334	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	341.1086
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01868	0.8
57.03442	1.2
58.00592	3.6
59.01379	100.0
60.01711	1.1
70.65257	0.9
70.65588	0.7
71.01379	69.2
72.01717	1.1
72.99311	2.6
73.02951	2.3
75.00894	0.5
83.01388	2.1
85.02950	8.0
87.00873	4.2
89.02441	86.1
90.02795	1.3
95.01389	3.7
99.00903	0.7
101.02441	30.5
102.02812	0.6
108.02384	0.5
113.02447	26.7
114.02795	1.2
117.13216	0.5
119.03501	31.0
125.02443	1.2
131.03506	4.0
143.03500	8.3
149.04553	2.8
161.04555	9.9
179.05605	35.4
180.05963	1.3
254.25797	0.5
290.18317	0.5
341.10864	47.8
342.11108	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
63.86303	0.4
66.82146	0.4
69.87974	1.8
73.07999	0.4
92.36076	0.4
95.53915	0.4
101.14084	0.4
147.08200	0.4
163.11281	72.2
164.11607	4.3
164.12843	0.7
187.17239	0.4
209.67302	0.4
212.29367	0.4
219.30324	0.4
232.39259	0.4
339.23251	100.0
340.23563	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	339.2538
Annotation	Blepharizol A
Peak:m/z	Relative Intensity
51.07681	0.3
53.48912	0.3
59.01379	100.0
60.01725	1.1
67.25713	0.3
69.23708	3.2
69.24017	0.3
78.98047	0.3
79.26285	0.3
86.89624	0.3
98.19939	0.6
99.92319	0.3
130.86923	0.3
169.03369	0.3
183.01210	0.7
196.21770	0.3
199.15378	0.3
201.83484	0.4
251.23808	0.5
279.23279	6.7
280.23605	1.0
297.24338	42.3
298.24667	4.5
339.20096	0.9
339.25369	16.3
340.25754	1.9
362.56238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
69.73602	0.3
69.73901	1.4
81.03481	0.5
85.02954	0.5
89.03964	1.4
93.03460	0.3
98.10075	0.2
98.20684	0.5
100.57524	0.2
103.00383	0.8
104.02702	0.5
105.03456	3.2
109.02962	0.3
131.03491	1.0
133.02954	7.0
148.01659	0.8
149.02422	0.8
176.01108	2.0
177.01920	100.0
178.02257	4.3
193.03561	0.4
339.07166	14.6
340.07401	1.3
357.19345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0722
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
57.03433	2.3
59.01376	9.1
65.03963	2.3
69.78459	2.0
70.87562	5.3
82.22713	1.9
91.01379	4.1
91.01904	48.4
93.03435	2.1
109.02972	15.0
121.02916	2.7
129.74011	2.3
133.02946	2.3
135.00893	100.0
135.04414	2.4
136.01262	2.4
137.02467	3.3
149.02374	3.5
153.01944	80.3
154.02278	3.1
161.02391	3.6
177.01912	3.0
177.06062	2.1
189.01846	3.4
282.05969	2.5
303.21805	3.5
339.07239	42.0
339.13828	2.2
339.18149	8.2
339.68289	3.8
340.07590	4.3
358.20404	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	339.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	78.0
71.01385	39.7
71.55649	6.8
72.99313	60.1
75.00865	14.6
75.09906	4.4
85.02913	7.4
85.95165	4.0
85.95687	5.2
86.63993	4.4
87.00880	7.6
89.02442	63.4
93.03451	6.7
95.04977	5.1
97.02953	4.4
97.06561	22.7
99.00900	27.2
107.05066	6.9
109.06575	9.1
111.08163	11.5
112.98782	21.3
115.00472	5.4
117.01946	53.5
121.06591	13.4
123.08182	6.5
125.06073	22.8
133.03036	5.1
135.02988	20.3
135.04523	17.0
137.02461	4.9
137.06036	6.0
139.07642	20.5
142.99852	100.0
149.06114	29.3
153.05591	45.7
161.02409	9.1
166.06374	6.1
167.07124	52.7
171.06609	10.4
173.00887	48.0
174.01686	57.5
177.02084	4.7
181.08673	18.2
183.06660	6.2
191.05646	13.4
193.05069	21.7
209.08272	5.6
210.05257	5.1
211.06123	14.5
225.07697	55.5
271.08234	25.4
303.10794	12.6
339.04959	13.7
339.11063	6.2
361.90366	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	337.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49949	12.9
59.01380	100.0
68.99545	22.7
71.56448	17.5
82.36945	12.8
95.42388	13.1
99.52341	14.4
110.86639	12.3
112.98582	36.0
184.09592	14.0
241.11293	14.5
255.62823	13.1
284.98267	14.7
288.44235	12.0
337.18417	23.2
337.23694	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	338.0882
Annotation	6-GlcO-I3CO2H
Peak:m/z	Relative Intensity
52.48767	1.7
53.88767	1.5
59.01373	5.4
70.38721	2.3
70.39050	2.7
71.01389	41.3
74.02499	1.5
83.01409	1.8
85.02934	4.4
87.00865	1.8
93.03497	3.4
94.03818	1.8
99.04533	3.8
102.73688	1.7
104.05080	31.3
109.02988	2.4
111.00872	2.1
115.00376	86.0
116.05092	3.5
119.05025	5.1
120.05396	2.6
125.02446	1.7
131.03603	9.4
131.04494	1.5
132.04562	100.0
133.02989	3.0
133.04927	3.6
133.41786	1.8
134.50037	1.5
135.04556	2.1
144.04561	11.7
146.29715	1.5
147.04533	4.7
148.04048	3.1
149.06065	5.7
150.05551	3.1
158.06081	1.7
160.04192	2.3
160.07715	3.3
161.02443	2.9
161.06111	3.3
163.04024	4.1
164.04308	4.5
172.04044	23.6
173.04536	3.4
173.06058	2.0
175.03966	3.9
177.01941	11.5
179.03496	1.9
181.07086	1.5
184.32307	1.5
189.05617	5.3
190.05096	68.9
191.05598	16.3
191.07143	3.4
192.05888	9.5
193.03534	3.8
193.06180	1.9
204.06746	3.2
217.05026	3.9
218.08220	2.4
221.04573	2.5
222.07660	11.4
235.06039	3.2
240.08698	2.3
294.09848	26.7
300.73132	1.9
338.08841	74.0
339.07434	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01375	1.1
67.01894	0.6
67.05455	0.3
69.03452	0.3
69.64782	1.6
71.01391	0.7
83.05009	0.3
85.02955	6.1
86.03271	0.4
87.00886	1.7
93.03465	5.1
99.04520	0.3
107.01741	0.3
109.02962	0.6
111.00905	1.7
111.04527	1.4
113.79183	0.3
117.03496	0.3
119.05010	1.5
127.04002	1.9
145.02971	0.8
156.86205	0.3
163.03970	1.6
171.03062	0.4
173.00943	0.4
173.04561	1.6
191.05614	100.0
192.05951	3.7
209.02283	0.3
259.97321	0.3
334.48538	0.3
337.09302	2.7
338.09546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.23598	0.3
59.01378	0.9
61.42175	0.4
67.01868	0.7
68.93874	0.3
69.03421	0.4
69.32343	2.1
69.32764	1.3
71.01377	0.8
71.19742	0.4
83.05000	0.4
85.02950	6.6
87.00896	1.8
93.03465	4.7
101.41278	0.4
109.02992	0.6
111.04514	1.1
119.05012	1.5
127.04030	1.7
145.02940	0.6
158.00401	0.4
163.04016	1.6
171.03072	0.6
173.04549	1.5
191.05614	100.0
192.05948	3.7
232.82442	0.4
266.18283	0.4
296.73837	0.4
337.09262	3.7
342.24576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
58.91729	0.3
59.01370	1.2
60.99297	0.9
67.01891	3.7
69.03449	1.1
69.27289	3.2
71.01368	1.2
81.03459	0.9
83.05029	0.7
84.36941	0.3
85.02941	4.8
87.00879	5.0
93.03458	23.0
94.03806	0.7
99.00852	0.4
99.04476	0.5
109.02948	1.0
111.00905	0.6
111.04504	2.5
111.43611	0.4
119.05032	8.5
120.05370	0.4
127.03995	1.3
129.01938	0.8
138.70143	0.3
145.02940	1.4
155.03534	1.0
161.15797	0.3
163.04004	7.6
173.03105	0.7
173.04543	10.4
191.05606	100.0
192.05963	4.2
248.13019	0.3
337.09268	4.3
338.09674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69981	19.3
56.13987	17.5
57.03453	29.9
57.36752	21.1
59.01380	65.6
60.27275	19.4
63.65398	21.1
71.56349	24.6
80.85261	24.1
133.02933	23.1
148.53912	19.3
161.04541	51.8
191.05573	100.0
207.10263	42.2
227.07083	25.6
265.05008	26.8
265.08258	22.3
335.14944	33.5
335.18756	26.4
340.26538	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	337.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13799	0.4
57.03453	0.7
59.01385	2.9
67.01884	3.3
69.52650	2.5
69.64257	0.4
71.01398	0.8
72.99323	3.5
73.02948	0.9
75.60946	0.4
79.95718	0.5
83.01380	3.0
85.02950	17.1
87.00884	1.6
93.03466	3.9
95.95233	0.7
96.96011	6.2
98.20683	0.7
99.00861	0.8
99.04533	0.5
101.02441	1.8
111.00880	100.0
112.01231	2.4
119.05039	2.7
129.01944	4.3
137.02425	0.7
151.88499	0.5
154.99869	12.7
155.03450	0.5
161.02464	1.1
161.04494	0.5
163.03976	2.3
173.00902	29.0
173.04485	3.9
174.01375	1.2
191.02016	1.2
191.05595	17.6
192.05954	0.5
276.12717	0.4
280.25107	0.4
337.06134	1.7
337.09476	0.6
338.06143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0779
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
51.26088	1.5
59.01385	15.4
61.98830	2.8
65.75576	1.4
66.94939	1.5
69.03436	1.6
70.86312	3.8
71.01384	6.4
73.02946	2.0
75.00876	1.7
78.95924	2.1
83.01383	2.4
85.02955	7.3
89.02452	2.6
91.23134	1.7
99.00883	5.1
101.02457	5.4
103.26019	1.4
111.00888	3.9
111.02032	8.6
112.98539	2.7
113.02470	7.6
113.99574	17.0
115.00408	9.9
115.04061	2.2
127.00381	2.5
129.01968	3.3
130.08781	2.1
139.00386	1.6
157.01460	4.5
161.04494	1.7
169.01474	1.7
174.01706	16.1
175.02484	4.7
175.06047	1.7
194.95438	1.6
211.01103	1.9
277.05661	16.2
337.07773	100.0
337.11380	7.7
338.08142	7.0
357.64587	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82206	0.5
57.03450	25.5
59.01380	10.0
67.01875	1.0
70.89362	0.8
70.89680	0.7
71.01365	0.6
71.10984	0.6
83.05045	0.7
85.02959	5.6
87.00866	1.9
93.03457	8.4
99.04521	34.1
100.04858	0.9
101.02443	10.6
109.02944	0.7
111.04516	2.6
127.04004	2.0
137.02446	1.0
155.03575	1.0
161.04556	70.3
162.04900	2.7
173.04546	16.2
174.04915	0.9
191.05614	100.0
192.05960	3.3
233.06615	6.1
273.09744	0.7
286.04858	0.6
335.09891	3.0
336.10287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	28.9
59.01385	11.4
60.81381	0.9
63.77074	0.9
69.58818	5.3
69.59220	1.6
71.39577	0.9
85.02970	5.1
85.37861	0.9
87.00896	1.6
93.03464	7.3
99.04522	42.6
99.05178	2.1
100.04854	1.5
101.02443	14.9
111.04533	2.8
111.57655	0.9
114.33628	1.0
127.04012	1.8
137.02472	1.0
142.53407	1.0
155.03484	1.5
161.04562	82.4
162.04898	2.0
163.10960	0.9
173.04549	16.3
191.05620	100.0
192.05992	4.3
233.06650	7.2
262.08044	1.0
295.18405	1.0
335.09863	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	335.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	25.8
59.01377	13.1
67.01892	2.1
69.59355	4.9
85.02954	5.0
85.72424	0.8
87.00884	1.7
93.03464	7.8
98.19936	1.7
99.04523	43.0
100.04865	1.1
101.02442	12.2
111.04506	2.3
127.04034	2.4
137.02478	1.2
138.02034	0.9
146.54402	0.8
155.03427	1.3
161.04561	81.0
162.04872	2.4
173.04553	18.8
191.05627	100.0
192.05914	3.4
215.13919	0.9
233.06642	5.7
335.10089	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	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
59.56900	0.5
70.72238	0.6
71.61188	0.5
78.03481	0.8
80.05057	0.6
80.14731	0.7
87.54824	0.5
92.05045	2.1
94.06631	4.6
96.96025	1.9
100.36995	0.6
104.05076	2.7
105.03458	2.4
106.03019	0.5
106.06619	12.8
107.03765	0.8
107.06974	0.8
108.04550	1.2
120.04556	6.2
121.05331	1.8
122.06119	15.4
123.03268	1.9
124.07653	0.8
131.03735	1.1
132.04553	7.4
138.04544	1.2
138.05608	21.1
139.05838	0.5
148.03964	0.9
150.05594	2.6
164.03670	0.5
174.12875	0.6
182.40199	0.5
188.07251	0.7
189.07980	1.0
205.56889	0.6
215.11853	1.2
217.07399	1.4
218.07826	0.6
226.07408	0.7
228.08948	1.1
231.09152	0.6
241.09717	3.3
243.11372	2.2
271.10809	0.9
289.11926	100.0
290.12292	8.6
333.10760	12.6
333.14578	0.7
334.11316	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01922	0.4
69.72594	0.8
69.73005	1.2
71.09795	0.3
76.72440	0.4
78.03491	0.7
80.05019	0.8
87.66714	0.3
89.96093	0.3
92.05052	2.6
94.02973	0.5
94.06625	4.1
98.19919	0.5
104.05067	3.4
105.03455	2.6
106.02993	0.4
106.06625	13.2
107.03777	0.6
107.06939	0.7
108.04540	1.6
110.02442	0.3
120.04550	6.1
121.05331	1.1
122.02454	0.8
122.06119	14.7
123.03260	1.8
123.06406	0.6
124.07639	0.9
131.03766	1.1
132.04553	7.6
135.03258	0.9
136.03990	0.6
138.05608	23.6
139.05960	0.5
140.07167	0.8
148.04033	0.8
150.05623	2.9
166.05066	0.8
174.12857	0.8
182.69211	0.4
184.11342	0.5
188.07124	0.4
189.07910	1.1
200.05815	0.4
203.09476	0.3
209.11848	1.1
212.09576	0.4
213.06642	0.7
214.07469	0.4
215.11850	1.4
217.07455	1.8
226.07384	0.5
227.08252	0.4
228.08926	0.7
229.09836	0.5
231.11382	0.6
241.09833	3.5
242.07297	0.4
242.10301	0.6
243.11345	2.2
259.10907	0.7
271.10995	0.8
289.11929	100.0
290.12247	8.1
333.10910	10.3
333.20862	0.6
334.11337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2695
Annotation	CHEBI:79291
Peak:m/z	Relative Intensity
57.03437	2.7
59.01374	7.2
66.48808	0.4
69.03459	0.6
70.05805	2.0
78.95894	1.2
86.17101	0.6
98.19970	0.9
152.99594	4.0
161.27623	0.6
188.56351	0.7
199.01955	0.8
216.27385	0.5
255.25824	0.6
267.23212	0.8
277.21765	1.3
281.24832	16.3
282.25247	2.2
283.26425	30.5
284.26813	2.9
311.25778	1.0
329.26953	100.0
330.27243	9.5
330.31082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33191	1.8
59.01383	9.6
59.01614	1.8
69.65361	8.8
69.65768	3.5
71.01385	4.0
73.02952	4.4
85.02966	2.3
87.00858	1.9
89.02450	15.8
98.20678	1.7
101.02416	1.9
119.59743	1.6
125.02462	3.6
131.03476	3.4
149.04558	100.0
150.04858	2.8
153.81516	1.9
203.22920	1.7
238.45203	1.9
330.79709	1.9
331.07172	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	333.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	20.8
71.01382	17.8
71.54546	8.8
77.82664	5.3
79.00848	4.9
85.02892	6.0
87.00853	8.0
89.02453	19.6
99.10166	4.6
101.02428	7.5
105.68962	5.8
107.39520	6.1
112.04034	19.0
120.94193	5.1
133.05069	100.0
273.04553	16.2
297.11935	22.1
333.09750	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	329.2333
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
50.11689	0.3
55.86444	0.3
57.03441	1.0
57.41238	0.3
58.00595	0.2
59.01374	2.4
61.74816	0.3
67.33431	0.3
69.03432	0.6
71.05032	0.4
83.05040	0.6
84.02194	0.4
85.02950	0.4
97.06609	0.5
99.08154	5.9
106.04343	0.2
121.10255	0.3
125.09730	1.7
127.11310	3.3
128.11630	0.3
129.09253	0.4
132.97391	0.3
137.09677	0.3
139.11275	3.7
155.10786	0.5
155.14423	1.1
157.12299	0.5
157.50197	0.3
161.02371	0.5
165.12775	0.7
167.14362	1.6
171.08792	0.5
171.10269	9.4
172.10559	0.5
175.07314	0.3
183.13898	5.8
193.12343	2.0
199.13466	0.4
209.11774	1.5
211.13388	32.1
212.13748	1.8
218.78319	0.3
229.14436	18.0
230.14774	0.8
291.16617	0.3
293.21295	1.0
311.22266	0.8
329.23309	100.0
330.23654	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01382	9.2
65.97891	1.2
66.07468	1.2
70.02831	2.2
70.03220	3.0
71.01384	83.3
72.01730	1.3
72.33034	1.2
72.99310	25.2
78.97803	1.2
83.88016	1.4
85.02953	2.3
87.00876	32.7
101.02459	1.6
106.48421	1.4
113.02445	1.5
115.00368	26.2
122.03758	3.6
122.09537	1.2
123.79006	1.3
129.01945	9.9
133.01416	1.4
147.02997	100.0
147.06657	4.6
148.03323	2.8
149.04561	1.9
181.07199	4.1
182.38126	1.2
229.91386	1.2
304.25421	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.7
59.01380	13.5
59.95120	1.9
70.70258	3.4
71.01382	93.3
72.01696	2.5
72.99302	25.4
73.02952	2.5
82.13731	1.6
85.02949	4.7
85.36984	2.2
87.00390	3.4
87.00878	32.7
94.30656	1.7
95.01359	1.8
97.03047	1.7
101.02419	6.2
104.50218	2.2
108.02164	1.9
113.02428	6.4
115.00381	26.3
122.03736	100.0
123.04551	15.8
129.01929	9.1
129.85507	1.8
133.01454	3.1
136.80750	1.9
137.02460	2.4
137.06094	3.0
147.02995	86.4
147.06740	2.1
148.03275	2.1
150.05562	2.2
161.04572	10.3
165.05505	5.8
167.03487	3.7
181.07080	4.9
186.22128	1.9
195.03265	2.0
285.09766	2.7
329.08801	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	326.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69480	1.1
59.01375	3.3
59.43848	1.0
61.49374	1.2
64.79356	1.2
71.01381	2.6
71.63011	1.1
72.81983	1.1
74.02470	5.3
75.00883	7.1
82.02991	53.4
83.01377	1.4
85.02908	1.5
87.00886	3.1
89.02457	2.5
97.02947	1.4
100.04074	2.2
113.02464	1.3
116.76758	1.1
126.01978	23.2
144.03035	100.0
145.01451	1.8
145.03346	1.1
145.06215	5.7
165.92336	1.1
172.99454	1.6
191.05566	1.6
200.05466	1.2
210.95108	1.4
255.17847	1.1
266.94034	1.9
326.96039	2.7
327.09338	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01883	1.0
57.03455	2.7
69.03443	2.3
69.49480	2.6
69.49895	1.0
73.14109	0.5
83.05033	1.2
85.02946	11.0
91.82598	0.5
95.05037	0.6
97.02945	1.0
97.06605	4.3
98.20624	0.8
119.08636	1.0
123.08186	1.0
125.09708	1.2
127.11270	2.1
135.31010	0.5
137.09727	2.9
155.10796	0.8
165.12857	0.8
167.14372	0.8
171.08792	1.1
171.10262	23.4
172.10577	0.8
177.12820	0.8
183.13860	3.3
185.11870	1.1
193.12346	1.4
201.11328	1.1
203.10796	0.7
209.11795	1.8
211.13397	16.9
212.13678	0.9
212.66437	0.5
221.11885	2.4
229.14442	9.6
231.96391	0.5
239.12900	1.7
280.51602	0.6
291.19736	2.4
309.20551	1.0
314.53839	0.5
327.21753	100.0
328.22095	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25850	0.4
56.51979	0.5
59.01381	38.4
61.98819	1.4
71.54188	0.5
71.54546	0.7
76.36498	0.5
82.95409	0.6
87.00883	1.1
104.96884	0.5
115.02526	1.6
117.00476	2.7
125.00911	1.3
126.98905	0.9
142.89404	0.6
143.02005	4.4
157.03549	1.2
159.01501	59.8
160.01604	4.4
168.99924	2.7
170.97868	1.6
186.88370	0.8
187.00992	100.0
188.00586	9.3
201.02539	12.2
202.02692	1.1
274.99265	1.0
287.01074	1.0
311.01199	0.8
329.02222	4.2
330.02057	1.2
343.63123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01387	0.8
64.62246	0.5
79.95761	0.7
112.52792	0.6
125.67511	0.5
133.06609	0.8
149.09715	91.3
150.10069	3.7
158.77098	0.5
163.11282	100.0
164.11607	5.1
164.59767	0.4
170.20976	0.5
183.01199	27.5
184.01990	7.8
190.13982	0.6
197.02771	1.3
216.00941	2.9
229.36713	0.6
325.18307	67.8
325.21710	99.1
326.18628	7.6
326.22040	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	29.6
59.01383	90.1
67.01881	15.7
69.03467	27.4
69.39554	82.9
71.01406	18.4
74.95398	9.9
81.03445	20.8
83.01382	25.5
83.05047	36.1
83.12050	12.8
85.02959	12.8
86.18568	10.1
89.17633	9.2
95.05029	31.2
97.02943	29.3
97.06611	32.8
98.19859	20.4
109.06607	14.9
110.48759	10.0
111.04530	12.5
118.79077	11.6
121.06654	10.6
123.04535	28.8
123.08190	19.6
125.09708	85.5
125.92787	9.4
129.92319	11.0
135.08202	10.2
137.09715	47.7
161.07069	10.4
163.06187	12.1
163.11302	38.9
165.12823	13.6
167.10834	49.9
171.10280	13.4
185.11859	37.5
191.14427	18.1
192.04437	10.4
193.07076	11.1
207.10255	43.2
209.04607	13.0
209.11797	100.0
211.13495	18.8
225.11308	14.8
245.18884	21.7
289.18155	33.4
324.69635	16.3
325.11230	17.7
325.18280	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60356	14.4
57.03441	26.1
59.01379	100.0
60.73152	14.2
69.03442	13.8
70.87329	21.4
70.87698	31.3
71.01366	42.7
72.88255	15.0
77.04086	14.8
81.03475	14.9
83.05029	41.4
85.02972	15.8
95.04996	28.1
97.06604	73.6
100.44093	16.2
102.77026	14.2
109.06585	19.0
111.08150	18.5
115.07688	15.4
125.09728	23.0
129.65163	15.6
139.27765	14.7
151.11273	52.4
153.12766	27.4
155.10757	17.3
165.12846	35.8
171.10286	33.9
179.10660	39.6
181.12367	91.5
191.10811	28.7
197.11858	42.5
202.54749	16.4
204.25981	16.1
209.11845	86.4
211.13335	28.2
225.55061	16.3
245.19189	23.5
260.78992	18.1
307.19110	38.0
325.11404	22.2
325.18451	28.2
325.23679	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	325.2021
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
58.76658	2.9
59.01379	30.5
59.17029	2.8
65.62351	3.7
71.01392	16.3
71.54719	3.8
71.55109	4.6
72.99310	4.0
75.69785	3.8
78.32374	3.1
78.77343	3.4
81.57276	2.9
95.05035	4.1
111.08163	51.7
112.25611	3.2
123.08192	17.6
125.09750	8.4
127.11279	7.7
135.08165	11.8
137.09647	3.9
141.12883	3.8
153.09203	8.4
155.10797	8.8
163.06209	4.2
163.11305	3.7
167.10811	12.8
169.12392	3.8
171.10286	79.9
183.01357	4.1
183.10236	9.0
185.11856	54.7
189.65399	3.0
197.11821	30.0
201.11334	74.6
202.11636	5.0
202.92320	3.6
209.11795	16.7
213.11308	26.4
245.19109	7.4
281.69647	3.2
289.18033	15.4
307.19058	20.5
325.11438	4.9
325.14645	5.6
325.20251	100.0
325.24097	6.3
326.20670	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47003	1.1
57.03449	7.0
58.00547	1.6
59.01376	10.3
59.35513	1.1
60.16626	1.1
60.50820	1.1
62.50876	1.1
69.03443	3.7
71.01376	3.5
71.05019	8.1
72.99290	1.3
73.02940	2.8
80.02666	2.2
81.03538	1.1
83.05029	5.7
85.02932	3.0
85.06588	5.4
87.04541	1.6
91.05533	1.7
93.03451	1.8
95.05032	1.5
97.02958	6.2
97.06567	5.7
107.05063	2.5
108.49623	1.2
109.06588	30.3
111.08158	1.2
119.91884	1.2
125.06065	2.6
127.07635	3.2
133.12805	1.1
144.69930	1.2
151.11281	2.2
153.12860	1.4
167.10675	1.5
169.12389	8.3
177.12872	2.2
181.12312	5.3
183.13867	4.3
193.12344	2.7
197.11827	61.7
198.12105	3.5
199.13393	4.0
209.11812	1.2
211.13383	39.3
212.13756	2.7
219.13853	2.4
227.12871	4.0
229.02739	1.5
231.13864	2.2
235.13313	5.4
237.14929	5.3
249.14894	2.8
267.16187	1.2
289.18121	4.5
307.19089	4.0
325.20193	100.0
326.20502	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42027	1.1
57.03453	7.3
58.00570	1.7
59.01367	4.4
59.01649	1.0
69.03464	2.6
69.26295	10.9
71.01353	2.5
71.04998	3.0
72.41412	1.4
73.02913	1.4
80.02689	2.1
83.05023	2.3
85.02953	2.2
87.04478	2.7
89.02404	1.2
97.06573	3.4
109.06582	6.1
111.08159	17.2
123.08150	2.8
125.09726	21.9
126.10074	1.5
127.07574	2.2
127.11295	10.6
135.08180	1.6
137.09758	6.4
139.11343	2.1
141.09215	2.4
148.87630	1.1
151.11337	2.9
153.09224	4.4
155.10791	3.7
164.08430	1.9
165.09172	3.4
165.74733	1.1
167.10808	2.6
169.12357	2.9
171.10265	12.2
177.09225	1.3
181.12416	1.1
193.12254	1.3
195.10248	3.7
197.11816	10.0
199.09781	1.4
199.13359	2.6
201.11322	67.9
202.11673	2.4
211.13417	9.5
213.11314	41.2
214.11600	1.6
227.12856	2.6
235.13387	1.7
237.14877	6.9
238.15402	1.5
245.18999	1.9
245.87091	1.2
263.19910	1.6
270.97366	1.4
289.18085	20.7
290.18399	2.1
307.19131	40.8
308.19507	4.2
317.35077	1.2
325.20190	100.0
326.20557	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.9
65.92564	0.9
69.03457	1.1
71.01381	3.0
80.02675	1.8
81.03466	2.8
83.05025	6.3
84.02163	4.1
85.02952	2.1
89.02480	1.1
95.05020	1.8
97.06599	3.2
98.19849	1.9
99.08156	2.3
109.06589	3.3
111.08157	1.3
119.05003	1.0
125.06038	1.4
125.09715	2.5
126.52110	0.9
127.07651	7.8
137.09833	1.4
139.07616	3.3
153.05489	1.3
155.10780	1.8
163.06181	1.6
163.11298	6.3
165.12840	4.2
171.10251	2.4
178.09933	1.0
185.11874	9.1
191.10786	2.8
195.10228	1.5
197.11818	14.3
204.76770	1.0
209.11830	100.0
210.12196	4.4
211.13356	2.4
211.67632	0.9
227.12900	8.0
229.02864	1.2
238.12071	4.5
256.13281	2.5
278.93915	1.2
289.18112	5.9
307.19153	58.5
308.19431	5.8
325.11536	1.6
325.20190	35.4
326.11789	1.0
326.20593	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84215	1.2
57.03450	6.7
57.25268	1.3
59.01385	10.8
66.19798	1.2
67.01880	1.5
69.03456	5.3
69.95824	1.2
71.01385	1.8
71.05017	5.1
71.54923	1.8
74.07810	1.2
79.05534	2.8
81.03458	3.2
83.05038	7.9
84.02154	2.9
85.02947	2.3
85.06591	3.4
87.04515	1.7
93.03468	1.5
95.05017	8.0
97.02981	2.8
97.06593	13.7
98.06909	1.7
106.04290	2.0
109.06576	4.9
111.04509	3.7
113.06092	3.1
115.07642	5.4
121.06590	3.0
123.04532	3.1
123.08147	5.3
125.09721	5.7
127.11247	1.5
135.08142	4.7
137.09705	3.8
151.11266	2.7
153.09193	2.3
163.06279	1.3
163.11279	7.3
165.12784	2.2
171.10280	29.5
181.12209	3.0
185.11841	5.9
191.14418	4.5
193.12340	9.4
197.11836	3.5
201.11250	2.0
205.15962	4.9
207.10310	1.7
209.11821	23.4
210.12201	1.5
211.13391	13.2
212.84351	1.4
221.11870	1.7
223.13429	1.9
225.11345	2.5
227.12930	3.7
231.13922	2.1
235.13414	2.8
237.14964	2.4
245.19064	7.9
249.14957	21.0
267.16046	5.1
289.18137	14.3
290.18277	1.7
307.19177	13.0
325.20190	100.0
326.20496	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1141
Annotation	Neohesperidose
Peak:m/z	Relative Intensity
50.21634	2.1
55.01861	3.9
56.61666	2.4
57.03451	47.6
59.01383	95.3
68.01388	2.4
71.01384	49.9
71.54240	3.2
72.99298	5.0
73.02960	18.4
75.00880	9.7
76.12518	2.4
83.01379	10.4
85.01469	2.7
85.02966	23.2
86.99380	2.4
87.00891	5.8
89.02458	32.2
97.02888	3.0
99.00871	8.2
99.04530	41.9
101.00974	6.7
101.02450	81.0
104.14732	2.6
110.02505	3.6
111.02020	25.0
113.02464	20.2
117.00428	9.8
119.03497	4.7
119.04976	6.9
124.60114	2.4
125.02434	10.6
126.98867	2.6
127.04048	2.8
130.97560	2.3
131.01997	3.7
131.03500	6.3
133.05067	7.1
141.00453	5.4
142.99892	7.2
143.01974	3.2
143.03482	7.0
144.99940	3.1
148.02501	2.9
149.02116	2.4
152.02069	5.6
161.00896	9.7
161.04565	30.0
163.04024	3.9
163.06129	67.3
164.05771	8.5
175.00003	4.0
179.05458	2.9
181.07184	100.0
182.07503	3.6
183.01456	6.0
192.01561	24.9
193.01053	4.4
193.07179	55.6
205.07237	3.0
211.02122	8.5
213.02487	5.0
223.08226	22.0
237.06004	3.5
240.07431	2.6
243.06322	4.1
247.04759	3.7
253.03175	3.7
265.06049	23.2
325.05457	30.3
325.11368	95.8
326.05545	3.1
326.11560	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
51.13149	0.6
51.43924	0.5
61.16203	0.5
65.33826	0.5
69.35283	4.0
74.80158	0.5
112.96442	0.6
117.03481	1.5
119.05033	100.0
120.05365	3.7
122.27970	0.5
145.02960	10.0
146.03334	0.8
163.04015	87.5
164.04387	4.4
176.04860	0.6
200.60379	0.5
256.39218	0.5
325.09259	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
57.72066	0.5
59.01372	0.8
64.57021	0.3
68.09290	0.4
70.03442	0.4
70.28613	0.7
70.29002	1.2
80.50751	0.4
93.03496	0.4
94.19118	0.4
116.53307	0.4
117.03478	0.5
118.85921	0.4
119.05035	100.0
120.05362	3.8
123.92989	0.4
145.02991	0.9
155.42560	0.4
163.04016	80.4
164.04378	3.5
325.09274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1137
Annotation	Neohesperidose
Peak:m/z	Relative Intensity
55.01875	3.1
57.03192	3.8
57.03452	46.7
59.01378	67.5
70.66577	2.8
70.81590	6.0
71.01377	31.8
72.99285	5.4
73.02941	6.3
74.02460	4.2
75.00870	4.8
81.46745	2.1
82.02987	44.6
83.01397	2.4
85.02950	14.8
87.00877	5.2
89.02435	17.4
99.00892	9.4
99.04514	49.3
101.02441	45.2
103.91682	2.3
112.98809	3.6
113.02451	9.8
115.00359	10.6
117.01942	2.6
119.03513	4.1
119.04984	3.4
125.02406	10.8
126.02000	12.3
131.03496	6.7
133.01424	8.1
133.05070	22.8
142.99867	21.2
143.03491	7.7
144.03023	83.6
144.06668	2.6
149.04532	2.5
161.00912	16.3
161.04561	24.3
163.04027	3.4
163.06113	47.4
173.00984	2.8
181.07185	100.0
182.07491	3.1
185.09724	2.4
191.05592	6.1
223.08202	19.3
247.04671	2.4
265.05829	2.9
267.07172	2.6
325.07755	5.3
325.11292	41.7
325.92245	2.4
326.11636	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2229
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01384	8.2
67.66952	0.6
69.26395	1.1
69.26798	4.8
71.01422	0.9
73.38985	0.6
97.06646	0.7
137.06093	0.8
156.04243	0.8
165.09233	1.4
165.12869	1.8
179.10811	0.8
193.12508	0.6
197.11868	1.2
207.14014	0.7
214.04036	0.6
261.22122	4.2
279.23236	0.7
304.04816	0.6
305.21225	100.0
306.21503	9.5
323.18521	1.4
323.22260	22.3
324.18613	1.0
324.22699	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03464	22.4
58.65313	4.0
59.01379	43.0
59.21605	3.0
61.98850	3.2
63.32346	3.8
67.01891	5.0
69.03464	4.9
70.91829	6.3
70.92150	4.2
71.01382	5.1
71.05032	16.6
73.65149	3.5
75.03957	3.4
81.03511	6.8
83.01385	15.7
83.05019	10.1
85.02969	7.1
95.05044	20.0
96.96011	6.0
97.06587	18.9
99.04506	4.1
101.06080	4.9
102.05573	3.4
106.04275	4.0
109.06587	10.1
113.06098	7.4
123.04577	4.3
123.08144	5.5
125.09734	19.6
135.08168	13.8
136.05258	3.7
151.11288	6.7
161.02448	5.9
161.09814	3.1
163.11313	7.9
165.12874	10.8
166.67392	3.4
167.10744	5.9
177.12907	5.0
179.10744	8.4
181.12294	12.1
181.89223	3.1
185.11842	13.9
189.12883	8.2
189.88277	2.9
191.10788	7.0
201.64020	3.3
203.10716	6.7
203.14400	8.2
209.11859	91.1
210.12219	7.1
211.13480	4.9
221.11992	4.8
235.13426	5.2
237.14970	100.0
238.15251	4.6
243.17505	9.4
247.13347	4.3
248.51878	3.9
249.14961	5.4
265.14432	11.1
269.15384	4.2
287.16528	40.6
305.17593	60.6
323.18637	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.4
57.03436	9.5
59.01152	2.2
59.01385	27.7
67.89746	2.2
69.03450	4.6
71.01379	2.3
71.05023	11.9
71.12191	4.8
80.02673	2.7
81.03445	7.6
82.81708	2.3
83.01382	15.2
83.05013	6.8
87.04483	2.3
93.03450	3.4
95.05029	35.0
97.02917	3.4
97.06578	15.2
99.04513	2.6
109.06594	4.1
110.03713	2.1
111.04518	5.4
120.05857	3.6
121.02932	5.1
123.04486	9.6
123.08147	5.7
125.06095	4.0
125.09728	34.1
130.08749	24.6
131.09090	11.2
135.08136	20.4
137.06168	2.5
149.09770	3.9
153.09239	3.6
163.11249	9.2
165.12788	4.3
167.10767	2.4
181.12326	3.7
185.11839	23.3
186.51630	2.3
189.12895	3.7
191.10747	4.5
203.14394	8.7
207.10179	2.9
209.11826	100.0
210.12135	7.9
211.13338	6.5
221.11937	2.3
223.13335	4.0
226.07066	2.7
233.77623	2.2
237.14929	7.5
243.17564	6.7
247.13310	10.5
265.14386	36.3
287.16571	9.4
305.17575	23.8
323.18320	42.8
324.19037	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45937	0.5
59.01380	100.0
60.01730	1.6
67.89967	0.5
69.37058	3.9
71.01389	4.8
73.02961	0.9
78.95912	0.6
79.28319	0.5
83.64500	0.5
85.02957	0.8
89.02439	4.7
91.86629	0.6
96.96042	0.9
101.02464	2.5
101.06086	0.8
113.02469	2.1
119.03523	2.0
123.04502	0.7
143.03502	0.8
151.04030	1.3
161.04590	2.1
169.07469	0.5
177.01952	1.3
179.05649	1.5
195.03012	1.1
248.79869	0.5
263.11371	0.9
323.08173	1.5
323.13528	1.4
328.44202	0.6
340.12360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76335	6.2
57.03440	7.8
59.01381	100.0
69.47965	38.2
69.48375	13.3
71.01362	10.5
71.05010	46.5
77.31107	7.5
85.02930	9.4
95.00198	7.1
95.05026	28.4
109.06611	20.7
121.06585	9.5
123.08144	10.3
132.82791	7.3
135.04565	9.2
161.02437	9.9
161.09816	8.4
189.12866	19.7
205.15967	11.0
221.11906	7.3
237.14954	27.8
243.17575	15.2
249.14931	16.9
257.25464	6.9
287.16510	22.8
305.17538	45.6
305.21204	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	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03434	3.8
59.01142	1.6
59.01389	17.3
69.03452	1.3
70.75201	4.1
71.01381	1.9
73.41518	1.2
80.02688	4.1
81.03468	3.9
83.05054	6.6
84.02157	1.4
91.05546	3.8
97.02959	5.6
97.06595	57.9
98.06926	2.5
106.04241	3.3
109.06599	46.3
110.03739	2.3
110.06918	2.1
117.07094	4.0
119.05039	3.0
123.08147	6.0
125.09734	40.5
126.72095	1.4
135.08173	23.6
136.05309	2.3
152.04828	1.6
153.09216	2.5
161.02493	2.0
161.04778	2.4
161.06088	30.9
163.11311	13.8
171.10266	2.0
176.10179	1.3
181.12381	7.5
185.11809	3.9
207.10262	47.8
208.10590	2.3
209.11809	4.4
217.15804	2.2
225.11319	44.1
226.11794	2.5
235.13414	2.4
243.17522	3.3
261.14944	6.4
261.18423	3.3
269.15628	1.7
277.18066	4.8
279.12894	2.2
279.16022	58.1
280.16296	5.4
287.16556	21.7
305.17596	100.0
306.17856	8.0
323.18604	9.9
329.38571	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0935
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
52.29998	1.0
54.37903	1.1
55.01884	1.3
58.00582	4.5
58.74863	1.1
59.01383	100.0
71.01385	55.4
72.99308	4.5
83.01382	3.5
85.02962	10.6
87.00896	3.2
89.02452	51.8
93.03444	1.4
95.01375	4.5
96.96026	9.2
101.02455	28.4
113.02457	22.0
116.05077	39.6
118.70715	1.3
119.03512	21.5
131.03542	2.0
143.03500	2.8
146.06125	1.8
147.64821	1.5
159.03117	2.1
160.04051	60.3
161.04431	4.4
161.25021	1.2
177.04031	3.1
179.05588	5.1
179.06984	1.2
191.05606	2.4
199.13412	3.0
202.05107	31.0
232.06215	5.9
243.12473	2.6
262.07227	44.3
263.07532	2.6
279.09183	1.2
280.11887	1.9
315.21802	1.2
322.09323	72.1
323.08408	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	321.0827
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
57.03453	4.0
59.01381	11.0
62.19130	0.9
68.55640	1.0
69.03465	6.4
70.28048	2.2
70.28410	2.1
71.01388	12.0
73.02959	13.9
77.45058	1.0
78.95901	1.9
81.03479	1.1
83.01392	2.4
85.02959	29.0
87.00881	100.0
88.01244	2.8
95.01391	4.9
95.70840	1.0
96.96017	9.1
96.96964	2.3
97.02957	27.5
98.10024	1.2
103.04018	10.3
112.98635	1.5
113.02484	11.3
115.00377	12.0
115.04032	6.1
125.02441	1.3
141.01955	3.5
142.99797	1.1
157.01434	8.6
159.02998	7.3
160.04030	3.2
164.89511	2.7
175.02484	51.3
176.02855	1.1
212.45811	1.0
217.03545	18.6
217.17595	1.0
231.05186	1.2
244.40565	1.3
261.06253	2.3
303.04199	1.1
303.07120	6.6
321.08163	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	319.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16780	0.6
59.01374	0.9
61.86177	0.7
68.99574	77.5
71.53954	0.8
74.00145	0.7
75.00896	0.8
81.15858	0.7
82.96106	1.1
104.40006	0.8
112.98575	100.0
134.84785	0.8
141.06487	0.9
148.86792	0.8
165.85843	0.7
168.99985	0.8
176.98140	2.2
189.52591	0.7
319.05331	2.1
319.09720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33654	0.6
57.85894	0.7
58.85210	0.7
59.01377	52.2
59.18271	0.7
65.03947	0.9
67.62196	0.7
69.03456	1.1
69.16218	7.8
75.43594	0.7
78.10793	0.6
79.95763	1.5
80.96204	0.7
85.02956	1.9
93.03469	2.1
93.72297	0.8
95.01388	1.0
96.96005	42.5
119.04247	1.3
119.05032	15.2
121.02960	10.3
121.06619	1.6
123.04512	1.0
137.09758	0.9
140.07210	0.9
145.06589	2.0
149.02470	6.3
149.06097	0.7
151.07639	2.3
160.04028	2.1
161.09676	1.0
163.07681	3.6
177.01953	2.4
179.10773	2.1
193.01428	4.7
206.89674	0.7
241.10803	42.3
242.11125	2.2
303.13458	3.8
321.06476	100.0
322.06564	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	317.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92498	0.7
57.03448	1.1
59.01384	5.9
66.71284	0.7
69.19281	5.9
71.01389	5.4
71.05026	3.1
80.96525	1.2
89.02460	2.6
91.03998	3.1
91.05557	0.8
97.02973	2.1
97.06592	1.5
99.00885	15.9
100.97829	0.7
101.02454	0.7
109.06586	1.3
109.21864	0.7
110.03752	0.8
116.92661	0.7
125.09734	4.9
127.11306	2.9
135.04488	1.6
142.02716	1.4
153.12823	1.5
163.11295	8.9
171.10324	1.3
176.03558	1.0
181.07115	3.7
181.12343	17.1
197.11792	2.6
199.13408	76.6
200.13719	3.5
207.10272	28.5
208.10608	1.7
225.11336	74.0
226.11716	3.6
243.12376	31.3
244.12718	0.9
285.77676	0.9
299.14984	3.7
317.05579	2.8
317.16055	100.0
318.08273	1.9
318.16455	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
57.93861	1.0
59.01385	7.3
71.01378	8.6
71.05040	6.1
73.02934	1.4
79.95733	1.5
80.96529	2.4
83.05007	1.4
91.01943	1.2
91.04005	2.1
93.46704	1.2
96.96006	2.4
97.02958	6.5
97.06601	3.8
98.19830	2.5
99.00890	30.8
106.04231	1.2
109.06594	1.9
110.03741	1.9
123.00865	2.2
123.04565	1.7
125.09750	12.2
127.11263	1.4
128.75922	1.3
132.01886	1.3
139.00331	1.2
142.02837	1.5
153.12846	2.6
161.09602	1.2
163.11290	17.3
164.98694	1.2
171.10301	2.2
181.12352	49.1
181.13963	2.5
182.12723	2.2
197.11833	2.0
199.13411	39.9
200.13629	2.2
202.05185	1.7
207.10274	47.5
208.10602	2.8
213.05656	1.2
225.11320	92.7
226.11655	6.2
227.12752	1.6
228.98045	1.2
237.07545	1.3
243.12367	89.9
244.12740	4.2
245.08185	3.3
255.11424	2.3
273.12640	3.3
302.25845	1.2
317.05737	4.1
317.10699	7.3
317.16064	100.0
317.19482	4.5
318.16446	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	317.1606
Annotation	Tomelukast
Peak:m/z	Relative Intensity
51.33021	0.8
52.29965	0.8
57.03431	1.1
59.01384	5.5
71.01382	4.3
71.05017	2.7
71.55678	1.2
73.49308	0.9
80.96530	1.5
83.05022	1.0
84.44750	0.8
89.02436	1.9
91.04021	2.9
97.02954	2.4
97.06618	1.5
98.20061	0.8
99.00890	15.8
101.02414	1.2
109.06599	1.2
122.16901	1.0
123.08141	1.2
125.09731	6.1
127.11285	2.0
136.05351	1.0
136.96696	0.9
153.12857	2.2
163.11272	7.3
169.59216	0.9
181.12337	16.0
182.12773	1.2
197.11752	2.1
199.13399	73.8
200.13747	3.6
207.10252	23.6
208.10721	1.4
208.63155	0.8
225.11328	71.7
226.11629	3.6
243.12392	31.2
243.14932	1.2
244.12769	1.4
294.09824	1.0
299.10342	1.0
299.15073	2.0
303.97543	1.0
317.05475	3.5
317.16058	100.0
317.19189	3.4
318.16449	7.3
323.98328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79236	0.3
53.96613	0.3
55.01884	0.4
57.03453	0.6
59.01383	2.5
59.01631	0.4
69.03460	2.8
69.84412	1.5
71.01381	1.0
71.05024	2.0
72.42359	0.3
74.64598	0.3
76.45797	0.3
76.84064	0.3
78.50327	0.3
81.03467	0.3
83.05028	0.5
89.02451	0.9
91.04002	1.8
95.06669	0.3
97.06593	0.5
122.15374	0.4
122.46060	0.3
123.08220	0.7
125.09755	2.0
137.09741	0.5
149.09720	0.4
151.11328	2.0
153.12877	1.7
161.09714	3.5
167.97113	0.3
179.10773	12.9
180.11145	0.6
197.11838	100.0
198.12183	4.8
217.63269	0.3
223.09778	2.2
225.13667	0.3
241.10812	15.0
242.11206	0.8
315.14474	50.0
316.14938	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.4
66.63319	0.6
69.03459	0.8
71.01393	2.5
71.56675	0.9
74.48310	0.6
75.00891	2.0
79.08900	0.6
83.05007	1.1
89.02454	1.3
91.04016	1.9
95.05022	0.6
97.66634	0.6
109.02981	0.6
109.06597	2.6
110.00131	0.9
147.07762	0.6
151.11299	2.4
163.11308	1.5
169.12347	100.0
170.12683	4.5
179.10834	0.9
181.12302	1.2
193.98543	0.6
197.11838	25.7
198.12199	1.5
207.10268	4.6
209.11845	8.9
213.11281	0.8
225.11310	7.8
227.12955	2.4
241.10777	3.2
271.02570	0.6
279.12329	1.0
315.14496	38.9
316.14816	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99301	0.3
57.03446	0.6
59.01385	2.7
69.03461	3.3
71.01385	1.5
71.05022	2.6
73.68920	0.4
76.24372	0.4
83.05008	0.5
86.35579	0.4
89.02454	1.2
91.04014	1.8
93.03458	0.5
108.04508	0.5
109.02980	0.5
123.08160	0.6
125.09725	1.8
134.03749	0.4
135.04529	0.5
137.09688	0.6
151.11269	2.7
153.12880	2.7
161.09717	3.7
162.09990	0.5
172.22392	0.4
179.10779	14.1
180.11212	0.6
191.05659	1.2
192.05942	0.5
197.11830	100.0
198.12177	6.0
223.09755	2.1
241.10814	15.4
242.11128	0.8
252.04134	0.4
271.02399	0.8
293.44034	0.4
300.02722	1.9
315.14484	45.7
316.14801	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01390	1.4
69.25817	3.3
69.26238	3.0
71.01388	9.7
85.76011	0.7
87.00878	8.4
87.04523	2.4
89.02454	2.2
90.50157	0.8
95.89887	0.7
98.14230	0.8
101.02464	0.7
105.01970	1.6
105.26203	0.6
108.02179	23.9
109.02347	0.8
109.02984	13.9
133.05078	100.0
134.05432	2.4
152.01163	15.2
153.01947	16.4
268.67981	0.7
315.07263	23.1
315.11008	1.2
316.07507	1.1
324.51419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.9
68.99810	4.3
69.03454	1.1
69.58534	0.9
70.56417	1.3
70.56738	2.0
71.01392	4.1
72.99297	1.1
83.05007	1.3
89.02451	2.7
91.04025	3.3
107.25059	0.9
124.22832	1.0
151.00397	1.0
151.11313	7.5
153.09219	3.1
153.12854	2.1
169.12346	100.0
170.12680	3.3
171.10277	3.1
179.10776	2.5
185.11803	1.1
197.11838	94.0
198.12177	4.0
205.08568	1.2
213.11169	1.7
223.09784	3.9
241.10849	14.4
311.26389	0.9
315.14478	87.2
316.14893	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	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01372	1.0
60.31850	0.6
63.34820	0.7
69.41980	3.8
69.42390	1.3
71.01388	1.7
73.02949	1.4
79.01932	0.6
81.03451	1.2
85.02943	2.6
89.81282	0.6
95.01366	1.1
98.19804	1.2
101.02402	1.1
108.02171	100.0
109.02969	37.7
121.02923	0.7
123.04507	0.8
151.04033	1.5
152.01152	70.4
153.01944	36.0
154.02327	1.5
162.14607	0.7
163.04079	1.7
165.01924	1.8
207.02881	0.8
225.04105	0.7
315.07202	97.2
316.07544	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	312.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77299	1.1
59.01376	17.6
61.02516	1.0
71.01379	13.4
73.02967	1.1
80.13246	1.2
81.65565	1.1
84.73003	1.1
85.02941	2.6
87.00881	2.4
89.02451	13.6
92.54297	1.1
101.02438	16.2
112.43348	1.1
113.02456	2.1
119.03499	2.9
130.08740	97.3
131.03497	1.3
131.09027	2.4
147.92406	1.2
163.06111	4.4
163.99040	1.2
179.05592	2.2
181.07179	100.0
182.07544	2.1
221.14034	2.0
229.33672	1.1
248.60667	1.3
249.13359	1.2
312.11011	1.4
313.11465	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0719
Annotation	Sylpin
Peak:m/z	Relative Intensity
55.08508	0.2
59.01387	0.9
69.33540	2.0
77.03997	0.3
89.02465	0.2
93.03509	0.3
121.02959	100.0
122.03295	2.8
180.05850	0.9
181.06581	4.1
182.06938	0.4
225.05574	6.3
238.57393	0.3
253.09290	0.8
269.08038	0.5
313.07166	17.8
313.23721	0.3
314.07571	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13867	12.4
57.03454	34.3
59.01378	61.6
69.13878	13.4
69.39622	100.0
72.99295	14.8
89.02448	28.3
93.03467	24.6
101.02435	15.0
113.06139	34.9
130.08769	16.4
149.09674	24.6
149.90678	15.5
151.03908	12.1
167.10901	22.4
168.78520	14.3
191.05588	32.4
222.01973	14.0
253.09225	19.7
269.14273	16.4
313.07428	18.1
313.13272	40.6
320.75580	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	311.2229
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03459	2.2
59.01379	2.6
59.45851	1.1
62.78906	1.0
64.18246	1.0
99.08176	1.7
113.09724	3.1
121.10222	1.1
129.09213	3.9
139.11305	2.8
142.20972	0.9
153.12952	1.6
165.12851	1.5
169.12308	3.1
171.10298	6.5
181.12318	3.1
183.13959	1.6
193.12360	4.0
196.07776	1.0
197.11821	9.2
198.32910	1.0
199.13348	4.8
209.11855	1.2
211.13411	16.6
229.17635	1.1
267.90433	1.1
293.21240	19.6
311.22290	100.0
312.22604	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	CHEBI:132678
Peak:m/z	Relative Intensity
57.03436	2.1
58.00609	0.7
59.01379	1.3
68.84267	0.7
69.03442	0.7
80.65335	0.6
83.04995	0.7
97.06570	1.1
98.19839	1.3
99.08170	2.9
111.08213	0.9
113.09721	4.1
113.87980	0.7
129.09236	7.3
141.47308	0.8
159.85602	0.7
163.11159	0.8
169.12364	3.7
171.10265	1.1
178.37221	0.7
181.12337	5.1
183.13916	2.5
193.12332	2.5
197.11829	11.7
199.13365	6.7
211.13399	18.8
212.13704	1.1
275.20190	1.4
293.21277	14.1
294.21756	0.8
311.22287	100.0
312.22638	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	311.2227
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
53.79250	0.9
59.01381	6.1
69.19956	5.7
69.20374	2.7
71.01379	0.8
76.59013	0.8
98.20682	1.5
99.08159	1.0
113.09671	1.0
129.09201	0.9
139.11307	2.1
153.09058	0.9
154.10042	1.0
171.10246	3.2
177.12871	2.5
178.13310	0.9
193.12280	1.4
195.13841	2.1
197.11841	1.4
211.13412	5.5
249.22247	3.2
251.11307	1.6
293.21228	62.2
294.21573	6.7
311.22269	100.0
312.22601	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97671	0.9
59.01378	10.4
63.31503	1.0
69.86054	3.7
71.01380	1.5
71.39120	0.8
90.88614	1.1
91.80076	0.9
111.00919	1.0
167.14436	3.2
183.01219	1.8
183.13838	2.2
195.13885	9.0
206.39001	0.9
211.13385	1.9
251.11266	1.6
257.23068	1.1
265.21768	1.2
283.22794	1.1
293.21317	8.5
311.13257	2.0
311.16617	3.8
311.22272	100.0
312.22665	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
58.77618	0.4
59.01376	6.9
60.17265	0.5
61.98818	0.8
69.03419	0.7
71.01360	0.9
71.05020	0.4
71.54835	0.6
75.92538	0.5
83.05023	1.2
84.02178	0.6
97.02954	1.2
97.06571	0.6
99.08142	2.7
109.06593	0.6
111.08161	0.8
113.09726	2.5
121.10225	1.6
125.09704	2.6
127.11306	2.1
129.09206	0.9
137.09714	0.8
139.11293	11.4
140.11668	0.5
149.09663	0.6
153.12842	0.6
155.10767	2.3
163.11179	0.7
165.12814	1.2
167.10738	1.9
167.14394	0.6
171.10274	20.9
177.12811	0.5
181.12332	1.9
183.01183	1.3
183.10172	1.7
183.13898	1.2
185.11758	1.3
193.12328	4.9
195.13783	0.6
197.11916	0.7
199.13365	4.0
209.11908	0.6
211.13403	6.0
214.06435	0.7
218.69176	0.5
227.12903	0.4
247.16936	0.5
249.22191	0.8
251.11305	0.7
275.20142	0.8
291.19769	0.6
293.21225	17.7
294.21561	1.4
311.22266	100.0
312.22617	9.5
325.31427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25394	0.5
55.01891	0.9
57.03476	0.7
59.01382	100.0
60.01710	1.0
65.53259	0.6
70.02979	1.7
71.01390	9.9
71.54596	1.0
72.97528	2.9
73.02936	2.7
75.00861	0.6
79.87724	0.5
83.01407	1.5
85.02959	3.9
87.00896	1.1
89.02452	5.3
95.01405	0.8
96.96048	1.0
97.02972	0.7
99.00909	1.9
100.60496	0.4
101.02441	11.5
101.16311	0.5
113.02451	3.9
114.01958	1.0
119.03490	0.5
123.04563	0.6
125.02476	0.6
129.01984	1.0
129.05568	0.6
130.08708	0.5
131.03545	0.6
134.97615	0.7
141.06715	0.7
143.02011	0.9
149.04573	1.1
159.03014	1.1
160.71490	0.6
161.04558	8.6
168.99928	1.0
172.10162	0.5
178.08818	1.2
181.07216	1.4
191.05679	1.8
196.09824	1.3
251.00026	1.6
251.11359	23.1
252.11780	1.1
253.39558	0.7
311.09488	0.9
311.12650	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0929
Annotation	Zierin
Peak:m/z	Relative Intensity
52.94592	1.7
59.01380	9.7
60.99312	9.9
69.36295	1.5
71.01374	4.9
73.02936	2.4
87.00828	2.2
89.02404	1.6
91.80250	1.8
93.03465	2.7
94.02972	2.7
98.19899	5.4
99.00829	2.0
99.04513	2.4
104.05049	10.8
105.18809	1.8
109.02924	2.5
116.05038	3.8
118.06573	2.5
119.05013	2.9
121.02946	2.2
130.04254	2.1
130.21533	1.6
131.03755	5.2
132.04552	64.2
133.04828	2.1
135.04489	3.4
142.06631	4.5
144.04518	14.0
145.05310	4.8
146.06105	6.3
147.04541	3.6
149.04697	2.0
149.06041	2.5
158.06110	32.5
159.03308	2.7
162.05560	2.0
164.07137	4.9
170.06052	4.4
171.06566	2.2
172.04019	18.5
172.07739	2.3
173.04544	1.8
174.05591	3.4
177.05533	6.8
181.07115	1.9
188.07115	2.7
189.04173	12.5
189.05750	2.8
190.03473	3.3
190.05084	48.9
190.08730	6.9
198.05583	6.2
204.06604	5.7
216.06631	76.1
217.07074	5.2
218.08150	2.6
221.04599	3.2
222.07724	16.7
227.48068	2.0
236.09286	11.5
248.09242	31.3
249.09586	2.2
280.08246	6.5
292.08282	2.9
310.09308	100.0
311.07324	3.3
311.09952	3.0
332.46738	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0984
Annotation	6-O-beta-D-Xylopyranosyl-D-glucose
Peak:m/z	Relative Intensity
55.01876	5.1
56.87099	5.2
57.03444	12.1
59.01382	100.0
63.08101	4.4
71.01395	59.9
71.55738	5.8
73.02945	23.9
85.02952	5.8
89.02442	99.6
99.00879	46.2
101.02440	46.5
113.02464	6.8
119.03526	4.7
131.03496	17.8
140.18996	5.4
143.03432	6.0
149.04590	39.1
161.04517	7.6
191.05577	27.9
251.11386	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	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01733	1.2
61.86330	0.6
65.38290	0.7
67.70657	0.7
69.24256	0.6
70.02983	2.6
71.01385	9.8
71.54733	0.9
72.97543	1.5
72.99297	1.1
73.02959	3.5
76.35920	0.7
83.01376	0.8
85.02944	4.2
85.04097	1.3
87.00854	0.8
89.02422	3.8
96.96036	0.7
99.00875	1.0
101.02444	10.0
113.02458	4.8
114.01985	2.2
115.23743	0.6
119.03549	0.9
129.01962	1.4
141.06746	1.3
143.01996	0.9
143.03516	0.8
149.04675	0.9
152.07175	0.6
159.03018	1.0
161.04568	8.6
168.99933	0.7
178.05211	0.9
178.08792	2.1
178.66830	0.6
181.07288	0.6
187.20192	0.6
191.05670	1.4
196.09853	1.7
222.44133	0.7
250.99883	1.0
251.11359	23.4
252.11646	1.1
311.12631	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.58365	2.0
57.03452	22.6
59.01378	15.8
69.03461	5.6
71.01381	13.9
71.08573	4.3
73.02944	2.4
80.02721	1.9
83.05028	8.7
95.05022	3.6
97.06608	7.0
99.00860	2.2
111.08163	5.3
112.73846	1.8
113.09731	15.5
120.93560	1.8
125.09747	3.6
127.11284	2.9
133.68454	1.9
139.11278	1.9
149.09671	2.1
151.04001	3.7
151.07637	8.1
151.11290	37.5
152.08389	4.1
153.12859	2.1
163.11307	6.2
165.12854	36.3
166.13174	2.9
167.10768	2.9
169.71831	2.1
176.41956	2.1
179.10779	12.1
181.10817	3.4
181.12338	45.4
184.07388	2.0
191.10780	20.6
196.07730	1.9
197.11766	2.7
209.11835	100.0
209.15446	9.1
210.12149	5.3
211.13358	7.4
222.53929	2.0
247.20663	10.5
247.55449	2.0
250.70119	2.1
263.20111	4.5
265.21652	6.4
281.21243	6.5
281.71960	1.9
291.19699	18.4
292.19897	2.5
309.17044	22.0
309.20755	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03445	3.4
59.01378	9.0
59.65459	1.2
61.98808	1.4
69.85266	6.2
71.05016	1.7
80.02717	1.2
81.03471	3.1
82.50182	1.4
83.01382	10.0
83.05016	5.5
95.05035	2.4
96.95981	1.2
97.02934	2.2
97.06595	5.7
98.20535	2.0
99.00913	1.5
109.06610	1.5
111.08118	1.7
123.04514	3.6
123.08189	3.9
125.06081	3.2
125.09730	11.3
127.11320	1.4
128.29120	1.3
137.09680	2.0
139.11295	13.3
141.09145	1.6
151.04005	3.6
151.07623	6.4
151.11279	3.0
152.08386	5.3
157.60184	1.2
163.11279	8.6
165.12834	16.3
167.10808	7.8
168.60678	1.3
171.10258	3.1
172.86827	1.4
179.10869	1.4
180.04375	1.5
181.12335	4.9
191.10760	3.1
193.12360	1.8
193.15948	6.5
197.11848	3.0
207.10344	1.7
209.11821	64.4
209.15170	8.7
210.12225	3.0
211.13358	1.7
217.43723	1.2
221.93513	1.4
224.21033	1.3
247.20662	15.9
263.20276	1.9
265.21732	5.5
273.18549	4.5
281.21216	2.7
284.80258	1.4
291.19650	100.0
292.19904	10.0
309.17053	16.3
309.20691	41.0
310.21002	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10516	1.6
50.55817	1.7
57.03441	2.6
59.01358	2.6
60.90505	2.0
61.59977	1.7
69.03444	7.3
69.44216	1.4
69.44529	12.8
81.03488	2.4
83.05020	3.1
97.02956	28.7
98.19828	1.8
111.08149	13.2
119.08630	2.5
125.09704	3.7
137.09718	4.8
163.11345	3.5
165.12840	11.6
169.12352	3.6
171.10278	12.9
181.12270	3.3
193.12311	3.7
193.15968	3.3
197.11833	39.1
199.13409	2.5
209.11813	5.0
209.15402	2.6
211.13376	4.9
227.12859	9.8
247.20518	11.5
251.16638	3.3
273.18478	3.5
291.19669	100.0
292.19904	9.8
309.20712	72.9
309.81177	1.9
310.21146	9.0
314.50537	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	1.2
59.01387	1.2
59.36378	1.2
69.03449	1.3
71.00021	2.0
75.40342	1.0
97.06600	1.2
109.06602	1.4
111.08157	26.6
116.57513	1.1
125.50904	1.2
127.07672	2.6
151.11287	2.3
153.12846	1.3
169.12346	6.5
181.12335	2.1
197.11829	100.0
198.12198	5.7
199.13416	2.7
211.13383	10.5
227.12988	2.9
263.20190	6.8
265.18082	2.1
273.18585	2.4
291.19730	18.4
292.19916	1.8
309.20737	39.2
310.21060	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	7.2
59.01371	5.4
67.16876	1.0
71.05016	3.9
81.78823	1.2
83.05035	5.3
85.06589	3.4
87.04504	2.8
89.26508	1.1
95.05068	1.5
97.02937	3.3
109.06572	3.0
111.04538	2.1
111.08212	1.5
121.17825	1.2
127.07671	1.5
140.32239	1.4
171.10294	1.8
179.14418	4.5
181.12489	1.3
183.13692	1.4
195.13901	24.8
205.12270	2.7
221.15466	21.3
222.15802	2.0
223.13435	10.6
230.65536	1.5
233.15440	1.8
239.16560	4.1
247.20609	3.9
251.16478	4.3
269.77908	1.4
273.18622	4.1
291.19659	63.5
292.20016	5.8
309.20703	100.0
310.21085	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
57.03461	1.7
57.31888	0.8
59.01383	21.8
60.01709	1.4
61.01806	2.7
69.47034	5.8
71.01395	2.9
72.99295	1.8
80.96527	1.1
81.95329	1.5
82.42464	0.7
83.01397	4.3
84.00852	0.9
84.04905	0.9
96.96021	11.9
97.95936	1.3
98.94947	2.0
98.95615	40.5
98.96449	6.7
99.00881	23.6
99.01533	1.4
100.96046	2.5
101.02445	17.3
111.00769	1.0
111.95249	0.8
117.01952	9.0
119.05032	14.7
134.03737	2.1
135.04515	1.4
145.01437	79.7
146.01775	2.0
163.02507	100.0
163.04018	11.4
164.02884	2.8
173.74352	0.9
174.01717	3.4
176.04044	1.0
191.05725	1.2
193.05093	3.4
221.12207	1.3
227.12964	9.4
228.13245	1.5
229.13528	2.5
309.08405	39.6
309.13928	2.0
309.20792	0.9
310.08774	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03458	1.4
59.01387	1.3
60.48973	0.9
66.01352	0.8
69.32066	8.0
72.98686	0.8
93.07087	1.2
97.06570	1.6
99.37051	0.8
102.16337	0.8
111.08153	3.5
121.10252	12.7
123.08219	1.7
125.09725	9.0
136.39716	1.0
137.09717	2.5
147.08162	1.2
154.50209	0.9
167.14389	1.6
171.10258	3.9
172.37648	1.0
185.11852	11.8
195.13876	1.2
197.11823	8.5
209.11903	1.3
211.13405	66.5
212.13748	5.2
247.20674	1.0
273.18503	1.4
291.19669	100.0
292.20026	11.8
309.20706	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	308.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33090	0.5
59.01395	2.8
67.01876	0.6
68.25698	0.6
69.14287	0.6
69.55292	3.5
71.01376	1.0
76.72070	0.5
79.95767	0.6
85.02942	3.4
96.96009	3.6
98.19900	1.0
98.94998	0.6
98.95588	3.0
101.02415	0.7
102.03504	0.6
104.05067	24.3
104.05767	1.2
105.05410	0.7
105.19315	0.6
116.05082	3.3
118.06638	1.9
122.03765	1.8
124.05023	0.5
131.03777	5.6
132.04559	100.0
133.04906	2.5
134.03709	2.0
134.06097	0.6
135.04507	1.2
138.05615	1.1
144.04550	11.4
146.06104	1.8
148.04044	2.4
150.05623	1.9
160.04056	1.9
162.05644	1.3
164.07205	3.8
172.02547	1.1
172.04047	19.6
173.04332	1.1
174.05632	1.6
176.07202	1.1
188.03345	0.9
188.96591	0.6
189.89297	0.6
190.05099	64.6
191.05453	2.7
193.05048	2.3
194.08209	1.6
204.06606	3.1
206.95695	0.6
222.07706	8.8
223.08041	0.8
232.09798	0.5
255.08029	0.6
308.11407	38.7
309.11655	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01368	1.3
71.01373	1.0
71.38304	0.8
96.95980	0.4
97.82661	0.3
103.04017	0.4
135.04510	0.5
179.03500	0.5
263.23746	0.4
307.22775	100.0
308.19568	0.5
308.23141	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	308.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09306	0.6
57.03445	6.3
58.02979	8.7
59.01371	1.5
61.98830	1.6
65.20040	0.6
66.28124	0.5
70.02977	4.2
71.01366	0.6
71.55647	1.1
72.00901	7.5
76.93581	0.6
79.37066	0.6
91.05538	3.7
96.95995	0.6
99.04493	1.2
101.02439	1.7
103.05535	1.0
124.04028	3.6
135.04482	0.8
143.03534	0.6
147.04524	30.0
148.04854	1.4
160.28696	0.5
164.07156	100.0
165.07468	3.1
165.58330	0.5
206.08206	75.8
207.08479	3.5
228.10257	1.2
246.11328	9.2
247.11818	1.0
248.09245	3.8
257.28708	0.6
272.09277	5.2
290.10178	1.0
301.57129	0.5
308.11368	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55273	0.9
57.03459	5.4
59.01388	6.5
66.78552	1.0
68.18971	1.1
69.03457	1.3
69.27483	3.8
69.27905	5.3
71.01388	2.4
71.05016	1.5
80.02696	1.5
81.03455	3.8
83.01382	2.4
83.05032	2.1
84.87521	0.9
95.05032	3.5
97.02947	4.3
97.06597	11.2
97.68539	0.9
106.04268	1.5
109.06569	1.7
113.06084	1.2
117.26665	0.9
121.06591	1.8
123.04530	9.1
123.08135	2.7
125.06116	1.4
125.09741	12.5
135.04538	1.5
135.08185	2.4
137.09732	9.9
141.12817	2.3
149.06062	2.5
157.05107	1.2
163.07649	1.4
163.11304	11.1
165.12787	2.0
167.10803	1.1
171.10274	2.3
177.12880	1.7
179.03488	1.5
179.10760	1.7
181.12299	2.3
183.14012	1.0
185.11841	19.1
191.10777	2.1
191.14413	15.5
207.10298	8.1
209.11823	20.5
211.13306	1.3
225.11241	7.0
226.11931	1.8
228.55411	1.2
233.15399	1.1
237.11331	3.1
245.19087	32.5
246.19415	3.2
247.17004	1.4
251.15642	1.0
263.20114	1.9
271.17068	4.1
289.18097	100.0
290.18497	7.1
307.19159	92.4
308.19522	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Soraphen O
Peak:m/z	Relative Intensity
56.48241	0.3
57.03431	0.6
59.01382	4.8
60.93227	0.3
68.97195	0.3
69.03448	0.7
70.73076	0.5
70.73396	0.3
71.01383	1.7
71.05025	5.1
80.02665	0.7
80.55589	0.3
81.03452	1.8
81.57505	0.3
83.05026	1.6
85.02978	0.5
93.03465	0.3
95.05033	2.0
96.05260	0.4
96.96001	0.5
97.06606	0.6
98.03754	1.5
103.04010	0.8
106.04256	1.0
107.05048	0.4
109.02956	0.6
109.06594	14.4
109.57049	0.3
111.04525	6.8
111.08147	1.8
112.05314	1.1
120.05844	0.4
121.06609	0.8
121.10261	0.5
123.04498	0.5
123.08158	1.5
127.07656	3.2
131.05034	0.4
135.04530	2.7
135.08130	0.7
135.11823	0.5
137.06065	0.5
137.09732	0.9
143.10786	1.9
145.06601	2.1
149.06059	0.4
149.09697	1.4
151.11195	0.4
153.09131	0.4
159.08073	0.4
161.02382	0.4
161.04617	0.5
163.11307	0.6
167.10764	2.3
177.09229	0.3
177.12807	0.5
179.03519	2.6
179.10762	1.3
181.12389	0.7
191.14375	0.7
192.40891	0.3
195.13898	4.5
207.17491	0.6
233.15405	0.3
235.13411	2.0
245.19043	5.1
247.08156	0.6
249.14877	0.6
251.16502	1.0
261.18689	0.5
263.20142	0.4
271.17047	1.4
273.15128	0.4
287.16544	2.2
289.18094	100.0
290.18457	9.0
307.10370	0.7
307.15656	0.7
307.19150	8.7
308.19421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	16.6
59.01379	16.8
69.03448	6.3
69.30938	13.0
69.31354	4.8
70.86714	1.7
71.01384	15.3
71.05029	3.9
80.02667	2.3
81.03434	3.6
83.05013	8.0
85.64056	2.1
93.03431	2.5
95.05032	7.4
97.06597	26.4
98.03756	2.5
98.20679	4.7
106.04278	2.0
109.02962	1.8
109.06573	5.7
111.08160	12.3
113.03094	2.1
123.04489	4.9
123.08237	2.3
125.09716	8.0
126.30146	2.0
134.03709	2.0
135.04530	4.0
135.08154	2.6
137.09738	3.9
147.11803	2.0
149.09752	3.4
151.11296	28.9
152.11687	2.1
153.09175	2.8
153.12817	5.0
155.10811	10.3
161.09740	2.3
163.11292	9.2
165.12845	35.3
167.10779	7.0
169.12292	3.5
177.09157	3.6
177.12843	4.3
179.10791	12.3
181.10818	3.5
181.12355	53.8
182.12590	2.2
191.10793	19.6
191.14392	9.0
197.11786	3.0
202.25159	2.0
205.12305	3.6
209.11835	100.0
210.12195	6.5
211.11665	2.2
211.13338	9.4
225.11371	2.7
235.20720	2.7
245.19086	39.2
246.19456	3.8
263.20193	9.8
271.16971	4.7
279.19687	5.1
289.18106	45.6
290.18463	3.8
307.19165	79.2
308.19330	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	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.68533	3.7
55.90991	3.8
57.03439	16.6
59.01381	12.9
70.77398	9.1
71.01382	16.1
79.33849	3.9
83.05018	8.1
95.05009	6.3
97.06599	28.6
105.91412	3.4
109.06566	4.0
111.08165	11.2
123.04521	4.8
125.09746	5.3
149.09712	7.3
151.11305	30.6
153.09265	7.6
153.12924	4.0
155.10757	14.2
163.11304	10.5
165.12849	39.6
167.10756	8.6
168.46582	3.8
174.64526	4.6
177.12790	4.5
179.10744	10.1
181.12332	49.5
191.10823	26.2
191.12344	3.7
191.14429	6.9
205.12372	7.0
209.11845	100.0
210.12132	6.1
211.13405	10.9
224.10629	5.6
239.09218	7.8
245.19106	48.6
263.20190	11.9
271.16910	5.7
279.19553	7.1
289.18103	66.8
307.19171	99.7
308.19495	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13610	0.9
53.62775	0.9
55.01884	1.0
57.03450	6.0
59.01381	7.3
69.03452	3.6
71.01392	1.7
71.05036	1.6
72.36415	0.9
72.46292	0.9
75.43203	0.9
80.02682	2.0
81.03455	7.2
83.01392	8.6
83.05016	5.1
93.03465	1.3
95.05034	4.3
97.02943	8.8
97.06580	11.2
98.20676	2.1
102.87096	1.0
106.04220	1.7
109.06586	2.6
110.03752	2.4
119.08646	2.0
121.06578	3.4
121.10273	1.3
123.04533	7.7
123.08167	5.1
125.06082	1.8
125.09727	21.7
126.10091	1.0
135.08224	2.5
136.05281	1.6
137.06052	2.6
137.09735	14.0
141.12878	2.1
142.02724	1.8
149.06067	3.6
149.09682	1.2
151.07622	1.0
151.11319	1.7
161.09741	2.2
162.10548	2.0
163.07686	1.2
163.11296	19.0
165.12839	5.7
167.10783	3.0
171.10294	3.0
175.11157	1.4
175.73653	1.0
177.12828	2.2
179.03510	1.1
179.10753	2.2
181.12370	4.8
185.11826	24.6
186.12219	1.6
191.10783	3.9
191.14413	20.3
195.10225	1.1
197.11823	1.1
205.80826	0.9
207.10228	11.2
207.13962	1.0
208.10368	1.1
209.11824	53.8
210.12187	3.9
211.13426	1.3
217.15895	2.8
222.13747	1.0
225.11301	11.6
226.11865	1.7
236.62987	1.1
243.17494	2.1
245.19077	43.4
246.19582	2.4
247.17064	2.1
261.18726	1.3
263.20071	2.5
265.17963	1.7
271.17072	5.0
279.19775	1.6
289.18088	100.0
290.18472	8.4
307.19150	45.9
307.22086	1.2
308.19519	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01859	0.6
57.03436	0.7
58.00575	1.5
59.01383	42.9
71.01385	20.5
72.99300	1.8
73.02934	1.8
79.95731	0.5
80.96520	0.5
83.01389	1.7
84.59462	0.4
85.02956	5.8
87.00883	1.5
89.02449	19.1
92.31367	0.5
93.03446	1.3
95.01387	1.8
96.96019	26.1
97.06578	0.5
98.20634	1.7
99.00900	0.7
99.08160	18.8
100.08478	0.5
101.02445	14.5
103.03978	1.2
111.39877	0.5
112.94715	0.5
113.02446	7.9
113.03169	0.8
117.05580	0.6
119.03490	7.1
127.07638	2.8
129.09221	1.8
133.02939	0.9
133.05101	1.2
134.03712	0.5
135.04535	27.0
136.04877	0.8
141.09261	1.8
143.03543	0.6
145.08714	58.1
146.09042	1.5
161.02454	2.8
161.04562	2.2
173.04590	1.8
176.04030	3.3
176.54088	0.4
179.03503	28.8
179.05600	0.9
180.03879	1.3
187.09793	1.6
191.05617	1.0
227.12883	6.1
235.08551	1.2
264.12442	1.1
276.39407	0.5
289.07089	0.6
289.12106	1.8
305.04169	0.5
307.08636	26.6
307.13986	100.0
308.09003	1.4
308.14352	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	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.6
59.73200	0.3
61.79001	0.3
71.01377	2.9
71.02826	0.9
74.67401	0.4
74.99075	6.2
91.02229	2.4
93.00134	2.1
101.02393	0.4
103.04019	1.3
135.04520	1.0
137.02434	0.4
143.05237	0.4
143.89912	0.4
145.02975	0.4
149.00955	2.1
150.98936	0.4
157.05020	0.9
159.08476	6.5
161.04446	0.5
161.06369	1.1
179.03502	1.7
192.98190	0.6
206.99661	1.0
209.01225	2.4
217.07329	0.6
223.02841	47.1
224.02893	3.1
241.03975	0.9
247.08167	0.5
275.06012	0.4
289.07568	1.7
289.18106	0.8
291.09113	100.0
292.09238	9.4
307.12497	3.8
307.19156	1.0
308.12244	0.6
309.10031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0856
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
50.51684	0.4
55.07190	0.4
59.01383	23.2
70.12474	1.9
79.95761	1.6
96.96013	69.2
100.53143	0.4
111.67989	0.4
122.62599	0.5
126.20729	0.4
134.21535	0.4
157.64473	0.4
161.97252	0.5
167.10791	1.0
183.14099	0.5
203.20135	0.4
227.12878	15.0
228.13153	0.9
261.88409	0.5
272.38028	0.5
288.16492	0.5
307.08569	100.0
308.08832	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	307.0859
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
50.38522	0.3
58.74664	0.3
59.01105	0.4
59.01383	6.4
69.22702	1.5
69.23123	1.1
71.01381	0.4
79.95741	1.7
95.95260	0.7
96.96014	100.0
98.20707	0.6
98.95602	0.4
135.04518	1.0
152.42815	0.3
165.12807	0.3
179.03494	0.9
227.12874	6.5
270.67554	0.3
275.09848	0.4
302.53656	0.3
307.08582	24.1
307.12231	68.3
308.08847	1.4
308.12546	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52605	0.2
59.01382	1.4
59.96742	0.4
70.87746	0.4
71.01392	1.0
74.99073	5.7
75.96191	0.3
89.02472	0.2
91.02216	2.8
93.00138	2.0
98.20032	0.2
103.04025	0.6
135.04539	0.5
143.05272	0.3
149.00946	2.3
149.02063	0.3
159.08475	6.3
161.04581	0.4
161.06401	1.8
179.03491	0.5
192.98135	0.5
202.73883	0.2
206.99686	1.4
209.01289	2.4
217.07204	0.7
223.02840	47.9
224.02846	3.6
225.00800	0.2
241.03986	0.6
247.08252	0.4
275.05969	0.5
289.07547	1.7
289.18109	0.4
291.09109	100.0
292.09250	8.5
307.12320	4.4
307.19189	0.5
307.22775	0.7
308.12375	0.3
309.10178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
60.68259	0.6
69.82423	0.6
71.01370	1.7
71.05028	6.4
71.27393	0.6
71.55618	0.9
72.04533	1.1
79.95745	3.9
80.96532	5.3
88.04060	0.7
94.75308	0.6
95.32159	0.7
95.97089	0.6
96.96017	4.3
97.02946	1.7
97.04056	0.8
99.04531	6.9
100.04045	4.9
107.37351	0.7
109.06628	0.6
115.04028	4.0
115.05147	5.4
117.03471	2.1
117.05595	6.0
119.05032	13.0
121.25906	0.6
135.04561	6.0
143.03506	30.6
144.03032	2.2
145.02965	5.8
161.04564	100.0
162.04982	3.2
163.04012	10.5
175.93990	0.6
179.03487	6.6
209.11821	6.8
210.12103	1.0
217.11174	0.7
217.23944	0.6
227.12831	1.3
235.10904	3.1
245.09320	1.7
263.10287	0.9
274.69727	0.6
307.08484	11.9
307.11792	1.0
319.60336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08611	0.4
57.33166	0.3
59.01370	2.9
60.50467	0.4
61.98827	100.0
62.98530	0.4
63.99245	0.7
66.71425	0.3
70.80865	0.8
71.01386	1.3
103.04018	0.9
120.97298	0.4
121.02933	0.7
133.85320	0.3
134.97052	0.4
136.93962	0.5
136.96776	1.1
161.04547	1.1
161.98868	1.3
162.02550	0.4
162.96492	1.0
162.99159	2.0
163.98685	2.4
164.96378	53.5
165.93987	0.4
165.96494	2.4
178.95079	0.5
178.97734	0.5
205.99779	0.7
206.97435	18.9
207.97527	0.7
280.29910	0.3
306.97379	17.7
307.00070	1.9
307.10178	0.9
307.97311	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.59547	0.7
57.03434	1.7
58.02961	1.0
59.01095	1.0
59.01379	8.6
66.37621	0.8
69.03463	2.0
70.56932	0.8
71.05019	46.2
71.45249	1.4
81.03458	4.2
83.05016	2.6
91.80345	0.8
93.03443	3.4
95.05030	19.9
97.06594	1.2
106.04251	2.2
107.05030	1.9
109.02993	1.4
109.06590	19.7
110.06898	1.2
111.04502	3.0
113.07055	0.9
119.05027	2.4
121.06603	7.1
122.03699	1.5
123.04496	1.2
123.08161	1.2
125.06076	1.3
127.07649	3.7
132.05855	1.1
135.04527	1.0
135.08134	3.7
139.07637	1.8
141.01692	1.7
141.09235	0.8
146.26485	0.8
147.04498	2.4
147.08127	3.9
149.06018	1.0
149.09686	1.4
150.06844	2.4
153.09200	1.4
161.06102	3.4
161.09706	1.8
162.06731	1.0
164.08368	1.7
165.09206	13.0
168.13943	1.1
169.14264	1.0
175.07634	1.6
175.11243	0.8
179.14430	1.3
179.93445	0.8
189.12825	17.1
190.13098	0.9
191.10925	0.8
195.14000	1.1
205.15958	10.1
215.10861	0.9
231.13914	3.3
233.11835	8.1
243.17549	10.3
244.17764	0.9
245.15382	1.2
249.14938	12.5
250.15302	1.1
261.18625	2.3
263.16367	1.9
269.15540	2.6
287.16531	87.7
288.16821	7.6
289.14484	0.9
297.70859	0.9
305.17578	100.0
306.17899	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	305.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
69.54323	0.9
69.54751	0.9
71.06716	0.3
79.95737	2.5
82.92772	0.3
90.22261	0.3
95.95257	1.0
96.96016	100.0
134.11980	0.3
154.05145	0.5
305.10645	64.9
306.10968	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03461	1.6
59.01382	4.5
69.03482	0.7
71.05022	34.0
72.05395	0.7
80.02705	1.1
81.03442	2.9
83.05052	1.6
93.03493	2.1
94.04300	0.6
95.05025	16.0
97.06606	0.7
98.19864	1.3
106.04288	1.9
107.05058	1.6
107.08696	0.5
109.02969	1.3
109.06586	14.2
109.15064	0.6
110.03764	0.6
111.04553	1.7
119.05061	1.2
121.06577	4.5
122.03780	2.3
123.04581	0.6
123.08221	1.3
123.45490	0.5
127.07665	1.7
133.10350	0.6
135.08156	3.5
135.35049	0.5
136.05315	0.8
139.07721	0.7
141.01585	0.6
147.04564	1.5
147.08105	2.7
149.06097	1.6
149.09676	0.5
150.06880	1.1
153.09216	0.9
159.08292	0.6
161.06129	2.3
161.09726	1.2
164.08472	0.7
165.09207	10.2
166.09552	0.8
167.10823	0.6
175.07596	1.0
175.11331	0.8
177.09306	0.9
179.14447	0.7
186.10616	0.9
187.11290	0.8
189.09171	0.6
189.12834	13.3
191.10750	0.8
195.13715	0.7
203.14372	0.9
205.15947	8.1
206.16399	0.8
215.10826	0.9
231.13943	2.1
233.11877	5.8
235.13554	0.7
243.17497	10.5
245.15450	0.7
247.13631	0.8
249.14940	10.6
250.15244	0.7
261.18546	2.4
263.16547	1.3
269.15469	2.1
287.16522	72.4
288.16827	5.9
289.14346	0.9
305.17563	100.0
306.17926	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	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48087	0.4
58.02979	38.6
59.03295	0.4
70.77256	0.9
105.45596	0.4
168.13942	100.0
169.14296	4.8
212.12904	3.4
283.50665	0.4
304.19131	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43546	0.5
59.01394	0.6
68.99577	72.8
69.43153	0.5
71.54517	0.8
71.54871	0.5
78.95911	0.9
96.96021	0.8
98.09062	0.5
112.98573	100.0
113.98888	0.9
115.00355	1.1
120.99631	0.7
131.66936	0.5
133.01421	1.3
167.94443	0.6
189.06943	0.7
191.05621	0.8
195.96848	0.6
216.00313	0.5
254.62590	0.6
259.63104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18954	0.4
52.28350	0.4
53.00298	0.4
59.01381	39.6
62.14437	0.4
69.43264	2.6
69.43681	0.9
79.95757	1.6
96.96015	100.0
97.06590	1.0
129.01352	0.4
135.08153	0.6
147.08171	2.1
151.11256	0.5
165.09180	0.8
181.24689	0.4
205.77414	0.5
225.11317	23.4
226.11641	1.6
305.07001	78.9
306.07306	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	304.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.8
60.01708	0.7
61.98830	100.0
69.36623	2.0
70.01429	0.2
84.87710	0.2
85.10338	0.2
95.37695	0.2
117.02232	0.4
134.97054	0.3
159.01485	0.8
160.01624	2.0
161.01202	2.5
161.98943	18.9
162.01625	0.8
162.96515	0.6
162.99049	1.1
202.02605	0.8
203.02325	0.5
203.99998	4.6
261.98993	0.4
303.99951	14.8
304.02740	1.8
304.99887	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26608	2.3
57.03445	4.6
58.00574	3.8
58.40183	1.9
59.01382	80.0
60.24209	2.0
62.90418	2.0
64.24673	2.0
67.01870	2.7
69.83028	11.0
71.01380	33.5
72.99310	57.8
75.00866	24.3
79.05533	5.1
83.01427	2.3
83.05017	3.0
85.02940	3.3
87.00876	3.4
89.02444	61.0
93.03432	5.7
93.07111	2.4
95.05032	3.8
97.02956	3.8
97.06596	26.8
98.19945	2.4
99.00888	17.0
105.07096	3.9
107.05026	7.2
108.02161	3.6
109.06577	6.2
110.03736	2.1
111.08156	14.1
112.98814	15.5
115.00354	3.6
117.01940	37.8
119.05019	3.3
120.05797	4.4
121.02995	3.9
121.06590	18.0
123.04534	3.6
123.08173	8.7
124.01656	6.1
124.98787	4.6
125.02452	11.5
125.06093	11.4
127.07613	2.2
131.05040	2.6
135.02997	17.4
135.04536	5.8
135.08133	4.5
137.02435	3.9
137.06056	6.8
139.07635	19.2
142.99861	100.0
143.93484	2.0
149.06096	22.4
151.04042	2.3
153.05562	21.1
155.07057	2.6
155.10779	13.0
166.06332	5.2
167.07132	35.7
168.07422	2.4
169.10814	2.3
171.06624	2.7
171.10272	3.5
173.00899	20.9
174.01686	27.1
177.01897	2.7
179.07124	3.4
181.08698	16.7
183.06616	3.8
185.11833	13.4
193.05052	9.2
199.09721	4.2
202.05138	24.8
209.08229	2.6
211.06169	3.7
213.07674	5.5
213.11311	4.1
217.10768	8.3
225.07683	44.1
225.11206	2.6
242.08110	5.1
252.64534	2.3
258.54437	2.3
285.03967	5.4
303.04715	3.6
303.14182	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	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
50.50317	0.2
59.01361	0.6
60.97507	0.7
61.67243	0.2
69.83482	0.9
73.66570	0.2
74.99089	0.7
80.06133	0.2
82.43103	0.2
88.57574	0.2
93.00105	0.2
98.19850	0.3
98.59622	0.2
103.20432	0.2
104.43289	0.2
107.89830	0.2
118.96234	1.1
120.97821	0.2
134.99399	4.9
135.00429	0.3
136.93695	0.2
136.97339	1.5
141.07388	0.3
143.05353	1.4
150.98886	0.3
159.08450	1.4
161.06395	5.1
177.28185	0.2
201.04105	0.6
203.05652	3.0
203.62813	0.2
205.03519	1.0
215.05591	0.9
217.07195	76.9
218.07324	5.7
235.08334	0.3
261.06168	0.5
269.10339	0.2
277.58588	0.2
283.11835	0.6
285.13467	34.4
286.13712	3.1
293.39398	0.2
301.16592	100.0
302.16794	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	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
65.00327	0.4
69.50223	1.5
71.05026	0.2
80.02676	1.1
81.03452	0.9
83.01383	0.3
83.05034	4.3
83.05531	0.3
84.02163	0.8
84.05351	0.2
93.03458	0.8
93.93595	0.2
95.05039	0.4
107.01346	0.4
109.06593	0.3
125.06084	0.5
134.03683	0.2
135.08177	0.7
151.00366	1.2
152.01111	0.2
163.11293	3.3
165.12854	2.3
181.12407	0.5
191.10774	0.8
199.13292	0.3
206.99396	0.2
209.11827	100.0
210.12160	5.4
226.88005	0.2
227.12894	5.4
228.13078	0.3
245.04573	0.8
247.33472	0.2
257.77136	0.2
272.02960	0.3
273.04044	1.0
301.03549	0.7
301.16409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86290	0.2
59.01377	1.5
63.52962	0.3
69.03429	0.3
69.72638	0.2
70.37843	0.5
70.38203	0.5
71.01377	0.2
78.21992	0.2
80.02681	1.1
81.03458	1.3
83.01413	0.3
83.05033	4.5
84.02167	1.0
84.69837	0.2
89.02486	0.3
90.25927	0.2
93.03459	1.6
95.05041	0.8
96.96007	0.5
103.25048	0.2
107.05044	0.3
119.46931	0.2
121.02970	0.3
125.06059	0.5
125.09780	0.4
129.18056	0.3
135.08221	0.5
147.11824	0.4
151.00316	0.6
151.26497	0.2
163.11292	3.7
165.12874	2.2
181.12346	0.6
191.10768	1.0
209.11838	100.0
210.12181	5.0
213.09183	1.1
227.12938	4.3
228.13139	0.3
245.04555	0.4
273.04160	0.5
301.03589	0.6
301.07214	0.7
302.08563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46724	0.4
58.87927	0.4
59.01379	90.9
60.01717	0.6
60.70107	0.3
60.70465	0.4
61.98853	0.6
69.97731	1.7
87.27696	0.4
98.19979	0.8
102.16152	0.4
111.34550	0.4
115.02515	12.1
116.02612	0.6
116.98686	0.4
117.00443	7.1
131.51862	0.4
141.00433	0.6
156.93057	2.0
156.99899	0.8
157.03558	2.6
158.92816	1.4
159.01492	100.0
160.01630	5.9
201.02551	23.2
202.02814	2.2
217.00536	1.4
257.03622	0.5
259.01663	3.3
278.62646	0.5
301.02649	55.5
302.02786	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	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00337	0.6
58.00594	0.3
59.01381	3.0
66.93810	0.2
68.01420	2.5
69.19022	1.7
71.01390	0.7
72.99319	0.3
73.46825	0.1
79.95782	0.2
85.02975	0.3
89.02448	0.4
94.06671	0.2
95.05023	0.2
96.04568	0.4
98.02509	0.2
101.02421	0.3
102.98630	0.2
109.01778	0.3
110.06128	0.5
113.02388	0.1
119.05038	0.2
120.05386	0.2
122.02512	0.8
122.06176	0.3
123.03276	6.0
124.04121	0.5
124.07715	1.0
125.06096	0.3
130.08743	0.8
135.01256	0.2
136.04027	0.2
136.07683	0.9
137.04840	0.9
137.05875	0.2
138.05618	100.0
139.05956	2.8
140.07138	0.2
150.05637	0.3
152.03517	0.3
152.07220	1.7
166.08701	0.5
167.05887	2.4
168.06598	0.6
180.06671	5.0
210.07712	0.7
214.15630	0.2
222.07867	0.2
240.08701	0.3
285.03693	0.3
300.10895	17.6
300.19382	0.7
301.11154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.9
63.02386	1.0
65.00321	2.0
68.76360	0.2
69.29231	1.8
74.44450	0.3
83.01402	1.2
91.01903	0.5
93.03456	0.5
101.15546	0.2
107.01395	4.1
108.02178	3.7
109.02985	1.6
112.50947	0.3
119.01353	0.3
120.02184	0.6
121.02962	1.6
123.00868	0.3
124.01649	0.5
133.02942	0.7
135.00883	1.4
138.05580	0.6
143.05011	0.4
147.00911	0.4
148.01666	4.2
149.02354	0.5
151.00365	7.1
152.01125	0.3
155.04979	0.5
157.02962	0.3
159.04459	0.6
161.02406	0.6
163.00380	2.0
164.01205	1.5
165.01939	0.3
167.05099	0.4
169.03043	0.3
171.04485	0.8
173.02431	0.4
173.04652	0.3
175.04045	0.4
178.99889	1.7
183.04517	1.1
187.04024	1.2
190.99797	0.4
191.05542	0.3
192.00607	0.7
197.02425	0.4
198.03172	0.8
199.02370	0.4
199.04007	3.6
200.04401	0.5
201.01964	1.5
203.03473	1.0
211.03943	2.0
211.37473	0.3
213.02010	0.5
214.02501	0.3
215.03508	2.7
216.04210	0.8
226.02721	2.6
227.01331	0.4
227.03500	6.7
228.03732	0.3
229.01422	1.2
229.04924	0.3
237.18576	0.2
238.24590	0.3
242.02188	0.7
243.02969	19.8
244.03418	1.3
245.04424	0.5
254.02158	2.3
255.02979	32.9
256.03452	2.2
271.02472	73.8
272.02866	6.7
273.03635	0.5
283.02347	0.4
299.02051	2.2
300.02734	100.0
301.03366	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	299.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19354	0.5
57.03425	0.7
59.01379	11.7
59.48025	0.6
65.25418	0.6
69.73010	1.1
69.73359	3.2
71.01380	3.9
80.02674	1.0
80.96503	1.0
81.03458	2.7
83.05026	2.6
89.02441	4.1
91.04009	4.4
93.03471	0.7
93.34415	0.6
95.05026	1.1
97.02956	7.0
98.36650	0.6
99.00877	1.6
101.02437	1.1
109.06587	27.7
110.03740	1.7
112.43491	0.7
113.02458	1.5
119.03461	0.8
119.04993	1.9
121.06590	1.7
125.09727	0.9
135.08147	3.7
136.05267	1.2
142.02719	2.4
145.10246	1.0
161.09747	2.8
163.11288	26.7
164.11633	0.9
165.09290	0.8
179.10741	0.9
181.12328	6.5
189.09190	4.8
207.10252	100.0
208.10602	5.0
217.00272	1.6
225.11313	48.7
226.11656	2.9
240.04153	0.8
271.02362	1.0
283.02380	0.8
284.03220	6.0
299.02261	1.3
299.05582	3.8
299.14996	30.1
300.15314	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	299.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23180	0.7
59.01381	20.4
71.01383	6.3
71.09792	1.6
79.07452	0.6
80.02675	1.0
81.03439	1.2
83.05028	2.6
83.29968	0.7
84.02164	1.1
85.02952	1.7
87.00867	1.1
89.02444	7.8
91.03998	3.3
93.03465	1.6
97.02946	6.6
97.06568	0.8
101.02430	2.3
107.05019	0.8
107.95380	0.7
109.02895	0.8
109.06590	27.9
110.03714	2.0
113.02420	2.1
118.87995	0.7
119.03511	2.5
119.05021	2.2
120.16624	0.7
121.06618	1.9
125.09651	1.1
135.08162	4.5
136.05251	1.3
137.02359	0.8
142.02711	1.9
161.09721	1.7
163.11281	23.5
164.11594	1.0
174.99242	0.9
176.47156	1.0
181.12361	5.2
189.09212	5.0
190.99826	0.9
207.10251	100.0
208.10600	5.0
217.00217	4.0
225.11313	41.8
226.11635	2.5
227.03514	0.9
228.03923	0.8
240.04164	1.2
245.03014	0.8
255.03123	1.6
271.02438	4.9
283.02414	1.1
284.03250	10.7
285.03720	1.3
299.01996	3.8
299.05615	7.2
299.08514	0.9
299.15015	26.8
299.18378	1.4
300.02591	1.8
300.15396	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78752	2.8
59.01389	15.5
69.76273	12.3
71.01397	11.4
72.00939	2.9
73.02955	65.2
75.00887	2.4
78.95885	3.3
89.02450	12.5
93.03428	3.9
99.00889	8.3
101.02431	7.0
113.02465	3.6
117.01954	100.0
118.05112	10.1
119.03539	4.8
119.05070	3.1
120.99760	2.6
137.02455	11.6
148.02225	2.7
181.07178	13.5
187.34546	2.7
239.01787	2.9
270.47754	2.8
299.05722	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	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01374	0.7
69.96713	1.7
71.01379	1.8
73.02937	0.9
85.02970	1.0
89.02485	0.4
93.03461	61.7
94.03799	1.0
101.02460	0.9
113.02480	0.6
123.03316	0.4
133.51094	0.3
137.02454	100.0
138.02789	3.4
138.05634	3.2
141.26770	0.3
161.04572	0.5
191.42754	0.3
299.07898	1.8
299.85559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83500	0.3
55.97906	0.3
56.04773	0.3
59.01381	2.5
65.03965	0.3
69.48641	2.2
71.01385	4.3
73.02952	0.6
79.11648	0.3
83.01389	0.6
85.02959	1.6
89.02451	1.2
93.03456	59.7
94.03774	1.6
98.20651	0.6
101.02440	1.2
109.02956	0.4
113.02460	1.2
115.67094	0.3
118.98089	1.0
119.03477	0.6
119.04989	0.6
137.02441	100.0
138.02774	2.8
138.05609	3.7
153.01932	0.7
161.04601	0.5
197.08194	1.4
217.00375	0.6
217.29146	0.3
284.03363	1.1
299.04834	0.4
299.07748	1.4
299.11072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
58.00592	1.5
59.01382	43.2
60.35159	0.8
69.47903	1.1
69.48312	3.8
71.01003	1.2
71.01386	19.0
72.99313	1.1
73.02927	0.8
85.02945	4.5
86.00279	0.6
89.02450	21.1
93.03464	24.5
94.03811	1.0
95.01388	2.1
101.02448	9.7
108.02172	0.6
113.02457	8.6
119.03524	5.5
119.05042	1.4
121.02968	1.3
131.03526	1.1
135.04523	1.4
136.01653	3.8
137.02451	100.0
138.02808	2.5
143.03419	1.0
149.02472	1.2
151.04001	2.5
160.28098	0.7
179.03513	21.5
179.05283	1.0
179.05737	0.9
209.04578	3.2
217.00301	2.8
239.05600	8.8
265.49701	0.6
284.03311	1.5
299.07782	44.0
300.08041	2.4
311.72778	0.7
311.76770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03446	1.0
59.01380	3.6
60.07923	0.2
70.12560	0.8
71.01385	0.2
83.05042	0.4
97.06602	0.3
113.09723	2.4
135.08620	0.2
147.24313	0.2
160.60486	0.2
161.04546	0.3
177.12891	0.5
179.14395	0.9
181.12332	0.3
195.13901	16.7
196.14284	0.8
208.00995	0.2
233.22639	0.2
251.23888	0.3
259.20712	0.3
277.18460	0.7
277.21713	17.9
278.22086	1.6
295.22769	100.0
296.19641	0.4
296.23117	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	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83652	0.4
52.09994	0.4
52.27374	0.4
57.03448	1.1
57.90955	0.4
59.01384	5.0
63.23246	0.4
71.01376	0.6
71.36474	0.4
75.78802	0.4
97.06553	0.6
99.08109	0.5
108.26810	0.4
113.09733	2.7
137.94798	0.4
156.50201	0.4
164.85213	0.4
177.12823	0.7
179.14452	0.9
183.13885	2.9
195.13911	20.4
196.14296	0.9
277.21710	20.4
278.22083	1.5
293.21332	0.6
295.22791	100.0
296.23157	6.9
308.58423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.3
59.01372	3.9
69.50097	5.0
69.50503	1.8
71.39378	0.9
96.35859	0.9
99.08106	0.9
122.38757	0.9
125.09744	1.9
153.02969	0.9
171.10269	47.5
171.99519	1.0
172.10701	1.2
183.10265	2.2
208.63718	0.9
252.87047	0.9
277.21732	61.4
278.22113	5.3
295.22784	100.0
296.23148	7.5
307.13657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01380	3.6
60.40840	0.4
61.67712	0.3
62.54856	0.3
69.79988	1.3
71.01375	0.5
79.95756	1.1
85.02927	0.4
86.89252	0.4
98.19980	0.7
101.02415	0.5
112.16466	0.3
128.44408	0.3
135.04517	0.4
142.38293	0.4
161.04520	0.6
183.01199	22.1
184.01984	6.3
196.66037	0.4
197.02705	0.4
216.00916	3.7
233.18979	0.4
237.09805	0.8
251.23726	1.0
279.23242	1.1
295.22736	0.7
297.15283	61.0
297.24319	100.0
298.15598	4.7
298.24680	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	295.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.1
59.01383	100.0
63.96343	5.3
68.57573	5.5
71.01412	6.5
71.75567	5.0
79.00886	6.2
83.79043	5.7
98.19788	12.5
101.02411	6.5
161.04556	11.9
209.11816	44.5
223.95064	6.4
227.12878	41.2
231.49532	5.5
278.52258	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.33503	0.9
59.01381	25.7
68.32374	0.9
68.99551	2.1
69.03458	5.0
71.01382	18.7
71.10726	2.2
73.02937	1.5
78.95914	1.6
83.01387	2.4
85.02967	6.1
87.00884	1.4
87.04517	55.7
89.02440	15.8
100.37399	0.9
101.02450	17.6
112.98600	3.1
113.02459	12.1
115.03986	1.5
119.03544	5.1
119.05048	3.1
129.92567	1.0
130.41396	0.9
131.03508	94.7
132.03807	1.8
133.01477	1.8
149.00960	2.2
155.55411	1.1
163.04001	3.3
163.06117	4.5
176.67448	0.9
179.05652	1.3
181.07187	100.0
182.07527	3.1
184.44594	1.1
235.08208	1.7
252.08731	1.2
295.10416	18.2
295.13693	1.3
296.10895	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1186
Annotation	Amotin
Peak:m/z	Relative Intensity
53.96497	1.1
57.03453	9.7
59.01384	10.2
63.17425	1.2
64.23145	1.3
69.03464	2.6
69.25294	10.8
71.01382	2.9
73.02950	4.1
79.16727	1.1
80.96539	1.9
81.03475	1.8
83.05029	6.1
85.02954	6.1
93.03448	5.0
93.07105	2.0
95.05038	22.8
97.02953	2.0
97.06608	1.4
98.03726	2.2
99.04516	2.3
109.02925	3.9
109.06589	3.3
111.04522	19.7
111.08160	3.5
113.02435	1.9
113.06093	25.8
115.04013	5.4
116.78876	1.1
121.02957	5.4
121.06570	8.9
122.03738	2.6
123.08196	7.7
124.05301	2.4
125.06076	1.5
133.01437	5.3
133.06573	1.9
134.03760	2.1
135.04503	1.9
135.08212	2.1
137.06099	6.3
137.09731	4.3
138.36859	1.2
139.07658	6.4
149.09744	11.6
151.07661	4.3
155.07155	3.1
160.01672	1.6
163.11296	4.7
164.14885	1.3
165.09192	7.4
171.11809	8.8
173.04549	14.2
173.09752	3.1
174.10562	1.4
175.04085	2.9
183.06549	2.1
189.12857	98.1
190.13217	5.1
191.07121	1.7
198.82349	1.4
200.00183	1.3
207.13828	9.9
215.10809	1.4
219.08401	1.5
233.11882	2.1
251.12888	100.0
252.13246	5.7
295.11911	86.2
296.12305	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	295.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19989	0.4
57.03440	0.9
59.01377	1.6
60.99301	0.7
67.01897	3.6
69.03436	0.8
71.01388	2.8
81.03462	0.7
83.05015	0.6
86.62032	0.5
93.03467	23.0
94.03784	0.6
109.02994	0.6
111.00922	0.8
111.04543	4.3
121.02966	22.9
122.03322	0.6
123.45920	0.5
126.00316	0.5
137.02443	4.2
155.03497	3.7
173.04552	100.0
174.04919	3.0
251.12834	0.6
295.08319	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	295.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54102	0.2
57.58074	0.3
59.01375	2.2
70.08346	1.0
70.08678	0.3
71.01407	0.4
77.83656	0.3
81.03436	0.4
83.05019	0.5
84.60456	0.3
89.02432	0.3
92.10528	0.2
93.03473	1.8
98.20525	0.4
111.04511	0.9
121.02954	100.0
122.03284	2.7
137.02518	0.3
142.05878	0.3
155.03503	1.7
173.04532	2.5
199.94499	0.3
289.52423	0.3
295.08331	2.3
295.11258	0.4
295.12442	0.2
312.93265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16130	0.7
55.19058	0.8
57.03464	0.7
58.00596	0.8
59.01380	19.8
65.19106	0.7
65.46214	0.7
68.99573	10.6
69.03464	5.9
69.36275	1.1
69.36673	4.6
71.01383	15.3
72.99306	1.0
73.02942	3.7
73.03535	0.7
78.95913	0.8
83.01392	1.7
84.03505	0.8
85.02943	3.6
87.00913	1.1
87.04519	56.1
89.01914	1.3
89.02448	13.2
96.96019	0.9
97.02954	1.2
98.20615	1.5
101.02450	16.2
101.73177	0.7
110.98531	1.0
112.98572	13.4
113.02449	12.6
119.03497	4.4
119.05038	1.8
131.03510	100.0
132.03847	2.1
133.05066	1.4
149.00908	0.9
161.04486	1.1
163.04010	2.5
163.06143	3.9
181.07184	99.2
182.07516	2.1
186.79485	0.7
235.08281	0.9
255.43361	0.6
295.07431	0.8
295.10422	12.9
295.13589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62102	0.3
57.03436	0.7
59.01377	2.3
60.99305	0.7
65.03942	0.3
67.01559	0.4
67.01890	4.6
69.03458	0.8
69.26127	0.8
69.26543	1.3
70.02716	0.2
71.01381	2.8
74.66435	0.2
81.03448	0.8
83.05019	1.2
85.02943	0.5
93.03455	24.7
94.03774	0.6
98.19807	0.5
99.00883	0.3
108.02163	0.3
109.02947	0.9
111.00890	0.8
111.04522	4.3
111.32014	0.3
113.02415	0.2
121.02954	23.6
122.03289	0.5
127.04011	0.3
137.02434	3.8
155.03514	3.9
160.01590	0.3
173.04538	100.0
174.04887	2.8
223.17897	0.2
263.85638	0.3
295.08237	4.3
295.11487	0.4
296.08441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83570	0.6
53.08567	0.6
54.80726	0.6
57.03447	2.7
59.01378	9.9
60.99310	6.7
67.01563	0.9
67.01895	13.4
69.03457	4.5
71.01384	7.3
71.05038	0.6
71.55505	0.7
72.38518	0.5
73.02934	0.9
79.95798	0.6
81.03462	2.3
83.05016	3.0
85.02958	1.9
85.71772	0.5
87.00880	21.5
88.26028	0.6
93.03459	100.0
94.03792	2.6
95.05027	1.1
96.96016	0.8
99.00891	2.6
99.04514	1.8
101.02434	1.2
109.02953	1.6
111.00874	0.8
111.04525	19.3
113.02448	2.6
113.06120	1.2
115.00368	1.2
115.03998	1.8
119.05003	3.8
121.02956	46.9
122.03297	1.3
129.01968	4.2
133.01447	1.6
136.07640	0.6
138.06854	0.7
139.07651	1.1
143.03479	1.2
149.09750	2.3
155.03473	3.7
155.51964	0.7
163.04047	6.0
165.09221	1.3
173.04547	80.1
174.04884	1.8
189.12834	12.9
207.13791	0.8
228.28529	0.7
251.12889	7.3
295.08267	59.9
295.11847	7.2
296.08694	3.1
296.12009	0.7
305.67828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08780	0.6
56.46636	0.5
57.42966	0.6
59.01378	2.2
71.01380	2.2
79.95747	2.4
95.95291	0.7
96.96017	100.0
98.19847	1.5
99.08165	23.3
108.28275	0.7
136.08958	0.7
137.20773	0.7
149.13348	0.8
175.11349	0.7
177.09244	1.5
192.11552	2.1
193.12334	12.7
193.15895	0.9
204.02054	0.7
205.12383	1.1
211.13464	3.3
220.14661	9.3
221.13277	1.1
221.15451	19.0
222.15732	0.8
236.10515	12.4
293.17947	88.4
293.21283	41.4
294.18228	4.0
294.21591	2.9
304.00803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.4
68.99577	75.3
69.28721	7.4
71.01400	4.6
73.02921	1.1
79.23769	1.0
87.04518	6.0
89.02448	3.1
98.20596	1.9
98.40699	0.9
100.72648	0.9
101.02457	2.6
112.98572	100.0
113.02440	2.5
113.98991	1.2
127.79339	0.9
131.03499	10.3
133.05049	3.8
134.04781	2.1
136.07599	0.9
147.82062	0.9
181.07195	10.3
235.08142	1.0
295.10376	2.1
295.13846	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63189	0.3
69.27865	2.6
71.01385	8.2
75.43835	0.3
84.48978	0.4
84.53201	0.3
120.09513	0.3
127.07637	0.6
148.05276	1.2
163.85342	0.3
164.08403	1.3
177.09203	4.4
192.11542	6.0
193.12161	0.5
205.12329	6.3
207.13905	1.1
217.08731	0.3
218.09418	1.5
220.14677	50.1
221.15451	100.0
222.15793	5.4
235.13458	1.0
236.10527	75.5
237.10938	4.8
253.14627	0.3
271.03900	0.3
293.17624	12.9
293.21136	1.4
294.17990	0.9
295.72327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01378	0.9
63.93728	0.6
70.73673	0.6
70.87647	1.1
96.90656	0.6
113.09723	0.9
179.14374	1.1
187.57922	0.5
193.82367	0.6
195.13890	11.2
196.14607	1.9
211.13469	0.6
223.13383	11.4
224.13882	0.9
228.13597	0.7
231.20970	0.7
234.56575	0.6
239.12813	0.6
256.13190	5.1
275.20120	7.0
293.21234	100.0
294.21631	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.6
59.01365	2.9
64.93195	0.9
82.13238	0.9
83.22672	0.9
89.25036	0.9
89.32030	0.9
95.19906	0.9
97.58495	0.9
98.20617	3.3
102.35855	1.0
113.09731	17.4
121.10224	8.2
139.11287	2.0
149.09781	1.2
155.10667	0.9
167.10696	1.1
171.10277	17.9
179.10753	2.7
195.13892	2.1
220.18370	0.8
221.15472	1.1
231.21158	1.9
235.16850	1.1
249.22174	2.3
275.20157	21.6
276.20514	1.3
293.21228	100.0
294.21472	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	293.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89561	0.5
53.60906	0.5
63.44988	0.6
65.32013	0.6
69.48413	3.9
69.48740	0.5
69.61990	0.5
71.01384	0.5
75.45129	0.5
78.95909	91.3
97.59023	0.5
110.98540	100.0
145.25200	0.6
150.98004	0.6
158.12836	0.5
195.14337	0.5
217.26819	0.6
274.92172	0.5
293.08990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.5
59.01376	5.8
64.37200	0.8
69.03442	2.0
69.25392	6.0
69.25787	1.2
71.01383	6.0
73.02924	1.3
80.50388	0.8
85.02949	25.9
89.02432	7.2
101.02441	15.8
102.23800	0.9
103.04021	8.1
118.75498	0.9
119.05025	13.2
125.02435	3.1
129.01938	96.3
147.02994	100.0
148.03371	2.3
163.04004	20.5
188.01012	0.9
191.05540	1.3
192.28003	0.8
228.10318	0.8
233.06564	1.0
293.04547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.58045	0.5
57.03442	1.4
59.01382	3.0
65.95335	0.5
67.71658	0.4
69.28915	4.0
71.05022	0.7
83.05040	0.6
95.05039	1.2
106.04241	0.5
111.08163	12.5
119.04958	0.6
119.11947	0.6
121.02939	0.7
121.06538	0.4
125.22382	0.5
129.04446	0.6
137.09662	0.6
149.09689	0.9
167.10768	2.0
177.12817	2.3
179.10756	1.9
195.13910	7.7
196.14194	0.5
247.20602	2.5
273.18704	1.4
282.22153	0.5
291.19656	100.0
292.20010	7.8
294.54102	0.5
310.94913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.192
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.30399	0.6
58.02969	1.1
59.01388	3.9
63.99355	0.5
71.01384	1.2
71.53771	0.7
76.51962	0.6
85.46233	0.7
101.82575	0.6
125.09733	0.7
152.91772	1.8
156.13934	100.0
157.14255	4.1
163.08669	0.7
165.12958	0.6
185.11890	0.9
187.50543	0.6
200.12949	5.7
220.14693	4.7
221.15451	8.5
236.10521	6.0
274.18951	0.7
292.19983	18.0
293.21231	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	290.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.55103	1.1
71.55460	0.7
74.95103	0.6
82.90783	0.7
166.07085	0.7
168.16835	0.8
178.21851	0.7
191.05646	1.1
213.22365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04780	0.4
53.56114	0.5
57.03442	0.5
58.99600	1.5
59.01391	3.7
62.37994	0.4
68.96654	0.5
71.55762	0.6
80.96552	0.7
93.03453	3.2
96.96017	2.5
101.04308	24.2
102.98608	4.6
104.17251	0.4
115.02236	5.8
119.05017	0.9
120.99666	1.1
127.02241	3.5
135.04457	0.5
161.01007	100.0
162.01263	2.4
163.03996	1.3
176.04001	0.6
179.03529	0.6
185.09920	0.5
189.01974	0.5
203.07185	0.6
203.11192	1.1
217.01558	0.5
219.03905	0.5
231.01555	7.2
247.09743	0.6
249.02594	22.5
250.03133	0.9
291.03644	3.7
291.09030	1.0
291.12759	3.0
291.19690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.47605	0.7
57.71261	0.5
58.81598	0.7
59.01363	0.8
59.21052	0.5
60.44652	0.7
69.54812	1.8
69.55222	1.9
73.02948	52.2
74.03296	1.0
76.76979	0.5
82.58119	0.6
84.19293	0.6
98.21574	0.6
108.66850	0.6
135.88379	0.5
160.44524	0.6
178.80408	0.6
291.19659	100.0
292.19998	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1606
Annotation	Mesembrine
Peak:m/z	Relative Intensity
52.56002	0.3
59.01365	1.2
65.03938	0.3
71.55981	0.5
76.77674	0.3
81.03444	1.3
92.05049	0.8
93.03444	1.6
108.02106	0.4
108.04551	4.1
109.02949	4.5
111.15262	0.3
121.02950	0.4
124.01678	0.6
134.02477	33.1
135.03279	7.8
136.04041	34.2
137.02426	1.5
137.04366	1.0
148.04044	0.5
149.04799	1.1
171.80692	0.3
176.03517	4.2
176.07161	0.3
177.04213	0.6
190.05074	0.6
192.04297	0.5
288.16040	100.0
289.16257	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	289.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77769	0.4
57.03424	0.5
59.01373	5.9
67.05502	0.6
69.03453	0.8
71.56076	0.6
80.02687	0.6
81.03468	0.7
83.05022	1.1
95.05016	1.7
97.06560	1.1
106.04247	1.0
109.06598	2.0
119.04993	0.5
119.08668	1.0
121.06610	0.7
121.10246	0.9
123.04464	0.6
123.08131	1.1
125.06039	0.6
125.09741	1.4
134.07388	0.7
137.09715	0.7
148.08856	0.8
149.09750	0.9
157.02721	0.5
160.08920	1.0
161.09723	1.4
162.10480	0.8
163.11285	11.0
165.12805	1.4
165.33058	0.5
173.09782	0.5
177.12830	1.7
191.14394	17.2
191.16148	0.8
192.14772	0.8
215.14366	0.8
217.15964	2.0
227.17992	0.9
243.17619	0.8
245.19078	28.9
246.19427	1.8
247.17116	0.8
271.16986	4.6
289.18079	100.0
290.18417	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	287.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01383	2.3
69.03448	0.4
69.22003	0.3
69.80817	0.9
69.81215	0.8
71.01386	0.5
74.57877	0.3
83.05049	0.4
83.48526	0.4
83.51452	0.4
89.02457	1.1
89.09059	0.4
91.04028	1.5
97.06597	2.2
98.20592	0.5
125.09714	0.4
151.11288	15.9
152.11646	0.7
169.12347	100.0
170.12674	3.5
195.10265	6.4
213.11322	18.1
214.11684	0.5
287.15005	26.2
288.15411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24058	1.3
58.57832	1.2
59.68564	1.7
70.71009	2.6
70.71360	1.9
74.71731	1.3
75.00877	70.0
78.95929	2.4
103.00378	100.0
104.03534	4.5
105.01945	3.0
110.98445	1.3
121.04404	1.1
173.00955	1.2
173.12102	1.2
181.07236	1.9
191.30939	1.3
228.60722	1.3
272.92227	1.1
287.44666	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
54.74748	0.8
59.01385	2.1
61.98827	1.9
62.94487	0.8
63.59019	0.8
63.83982	0.9
70.02982	1.1
74.06110	2.1
98.19830	1.4
117.07072	2.9
118.05088	1.0
240.23253	3.1
242.21297	1.3
268.22760	1.3
268.84323	0.9
271.78851	1.1
286.23877	100.0
287.16544	2.9
287.24316	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	287.0563
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.03452	4.4
59.01375	0.3
62.69071	0.2
63.02404	1.3
64.71659	0.2
65.00326	2.9
66.02241	0.2
68.38074	0.2
69.35089	1.6
77.03952	0.2
79.95745	1.0
80.96538	0.3
81.03484	1.2
83.01383	3.8
86.59293	0.2
93.03461	0.7
95.01440	0.4
96.96017	100.0
98.20657	0.4
107.01382	2.4
107.05042	0.3
108.02185	0.3
109.02953	0.8
111.00880	0.4
115.56699	0.2
121.02963	0.6
123.00928	0.2
123.04556	0.6
124.01646	1.0
125.02454	32.4
126.02787	0.7
131.05046	0.8
133.02977	1.2
134.03693	0.3
135.04506	0.7
137.02480	0.4
145.02972	0.4
149.02417	0.2
149.06062	0.2
151.00378	4.5
152.01175	3.1
153.01991	1.0
156.05832	0.4
157.06587	1.0
158.03665	0.3
159.04526	0.5
163.11314	0.3
169.01349	0.2
171.04495	0.5
172.05255	0.6
173.06090	1.9
175.03983	0.2
177.05574	5.2
178.99873	2.3
185.11885	0.4
187.07651	0.4
195.10271	0.5
199.07777	0.9
200.04852	0.3
201.05591	3.3
203.03487	0.5
213.05559	0.5
213.11349	0.5
215.07205	1.6
219.06631	0.7
225.05553	0.5
241.05119	0.8
243.04768	0.1
243.06607	4.7
259.06116	26.7
260.06436	1.5
269.04584	0.9
287.05615	20.7
287.09509	6.2
287.14493	1.2
288.05960	1.5
288.09348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
58.82892	0.4
59.01379	2.7
63.22763	0.4
63.63811	0.4
70.93429	0.8
94.86232	0.4
104.19975	0.4
106.04217	0.5
107.05026	99.5
108.05389	2.0
123.04475	0.5
126.26824	0.5
163.11278	97.4
164.11618	3.5
201.02655	0.5
216.07555	0.5
248.93233	0.5
268.03790	0.5
283.17014	100.0
283.26309	16.3
284.17334	6.4
297.76849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72768	0.5
55.30527	0.7
56.98935	0.5
59.01379	16.5
63.02469	0.5
69.87852	1.9
83.80006	0.6
84.36670	0.6
84.48564	0.5
88.08354	0.5
91.50689	0.6
93.03442	0.7
98.19939	0.6
119.05025	55.7
120.05338	1.6
120.99653	100.0
122.00004	1.0
131.81612	0.8
139.77483	0.6
163.04024	7.7
188.35699	0.6
225.16016	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	285.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01374	3.7
68.10278	1.4
69.25330	11.8
73.20732	1.6
74.02492	1.8
75.00880	72.5
78.95891	1.9
82.21756	1.6
82.53035	1.7
89.02438	1.8
98.20600	2.5
101.02435	4.5
103.00379	100.0
103.04017	11.9
104.03541	17.2
105.01946	6.1
110.98558	2.7
122.03752	2.1
141.02866	1.4
142.99829	1.9
144.42561	1.5
152.62881	1.3
166.64088	1.3
180.99997	1.6
181.07170	3.9
184.28581	1.5
211.48360	1.5
283.66605	1.5
285.09879	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1964
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
57.03453	2.9
59.01379	3.1
69.25630	1.0
69.26042	2.8
71.01392	0.6
83.05018	1.5
95.05003	0.4
96.96006	0.8
99.08158	21.1
101.02428	0.5
125.09695	2.7
133.93991	0.4
135.11765	0.5
141.09219	0.4
149.09694	0.9
157.53955	0.4
167.10767	2.3
171.39746	0.4
177.12863	1.1
179.10828	1.9
181.15952	0.5
195.13959	3.3
216.46678	0.4
219.03079	0.4
235.17094	0.8
235.20622	2.9
279.19669	100.0
279.23181	10.9
280.20004	6.1
280.23294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.22047	0.4
52.17498	0.4
57.98256	0.4
60.49893	0.4
61.97104	0.5
70.58063	0.9
70.58426	0.8
75.11984	0.4
79.05314	0.5
144.07256	0.4
147.06029	0.4
167.72466	0.5
261.22156	0.6
279.23267	100.0
280.23587	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	279.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
64.19115	0.5
70.22269	0.5
71.01379	18.7
74.39895	0.5
79.49575	0.4
80.96552	0.6
93.03451	0.8
95.77834	0.5
96.96017	1.0
96.96967	0.7
102.75640	0.5
115.00374	12.4
119.05029	57.1
120.05360	1.5
120.64059	0.6
133.01433	12.6
163.04012	100.0
164.04326	4.0
191.05489	0.5
191.79128	0.5
279.08762	0.8
279.23279	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97173	0.6
58.96109	0.6
59.01376	1.1
66.95660	0.7
69.33209	5.4
71.01386	15.3
72.99324	2.4
73.46394	0.7
89.02448	1.8
93.03461	0.8
96.96043	1.1
97.78820	0.7
98.54818	0.7
101.02477	0.9
115.00381	37.6
116.00843	0.8
119.05037	34.4
130.23871	0.7
133.01442	100.0
134.01788	1.3
142.48833	0.7
163.04018	31.9
164.04352	1.0
207.46213	0.6
279.08865	1.0
279.23367	3.7
285.05875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.4
62.40818	0.8
65.65174	0.9
67.01881	2.4
69.90009	3.6
71.01373	2.9
78.95911	31.9
79.95718	1.9
85.02953	2.1
87.00876	2.6
89.02442	2.5
93.03464	10.2
96.96006	84.6
96.96959	100.0
99.04525	1.6
105.01943	1.3
110.02510	5.2
111.02010	5.8
111.04518	2.2
140.28024	0.9
155.03473	0.9
173.04550	11.3
174.08861	0.9
179.05423	0.9
191.05627	41.3
191.07393	2.0
200.05568	2.0
205.58458	0.9
233.06674	7.9
243.06242	10.5
271.38025	0.9
279.04221	1.4
279.07187	5.4
279.10846	2.5
279.23270	0.9
294.46371	0.8
304.68668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55753	0.4
51.57030	0.4
52.96045	0.4
55.01228	0.4
57.47733	0.4
59.01400	0.5
69.44157	1.7
69.44582	1.4
78.95909	37.7
85.03040	0.4
92.48988	0.4
92.84139	0.4
93.03471	1.1
96.96043	18.5
96.96964	100.0
98.19884	0.6
111.01989	0.6
111.04538	0.5
166.88956	0.5
173.04558	0.9
191.05653	4.3
200.27620	0.4
229.50076	0.4
233.06795	0.6
243.06227	1.2
279.04742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14905	0.3
56.85293	0.3
59.01373	2.2
69.58623	1.3
69.59029	0.7
71.01384	1.4
78.95906	37.4
82.69015	0.3
85.02930	0.3
87.00870	0.4
89.02448	1.4
89.53240	0.3
93.03435	0.7
96.96054	9.9
96.96961	100.0
99.04510	0.6
101.02448	0.8
101.04304	0.3
114.11288	0.3
117.05582	1.6
119.03500	0.5
145.40039	0.3
149.06364	0.5
150.30931	0.3
191.05627	1.4
279.10873	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	275.0927
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
59.01378	2.3
69.03471	0.5
70.67142	0.7
70.67481	0.8
70.84767	0.4
71.02596	0.4
80.96474	0.4
84.44385	0.4
85.02958	0.9
87.00832	0.4
93.03455	0.8
94.51550	0.4
97.06609	0.5
109.76830	0.5
111.33807	0.4
112.02582	0.4
113.03658	0.4
119.49815	0.4
119.87062	0.4
130.04247	0.7
133.02979	0.9
135.04524	2.8
137.02434	0.5
146.03665	0.9
151.07634	1.5
158.03749	3.0
159.04544	4.4
159.08188	0.6
161.02441	3.5
172.05299	9.6
173.04538	2.2
173.06064	7.4
174.06786	0.7
179.03506	2.3
185.08247	0.4
187.04208	3.9
187.07645	100.0
188.07971	4.1
191.05617	1.5
197.05981	0.4
201.05576	10.4
202.06357	16.8
203.06906	0.8
203.10864	0.4
204.04292	2.0
213.09189	3.3
214.09827	0.5
215.07137	0.6
216.07979	0.6
231.10249	20.6
232.10590	1.1
275.06839	0.5
275.09329	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	276.9181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81690	0.3
69.67973	1.4
70.14523	0.2
75.18035	0.2
78.95901	0.6
79.95757	0.6
92.05073	0.9
96.96011	14.4
119.93708	0.3
134.96086	0.8
134.97040	4.0
136.94014	100.0
137.94090	4.3
144.11569	0.3
154.95009	0.3
176.98083	1.2
178.95029	2.3
208.78427	0.3
216.89658	97.2
217.89725	4.6
218.92949	0.3
220.94379	0.4
233.12904	0.5
234.90729	19.6
235.90880	1.3
247.86955	0.4
256.44083	0.3
258.87473	0.5
265.80060	0.3
276.88477	1.4
276.91772	2.7
276.98215	1.8
277.21741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.1
59.01373	4.1
68.99816	46.0
70.76562	1.3
71.01389	3.1
71.05018	1.2
71.54125	1.8
72.99291	1.2
73.04078	1.2
75.00874	3.0
78.95889	6.9
81.03448	7.9
83.01362	2.2
84.02129	1.3
85.02959	3.0
91.00375	1.2
93.03458	6.3
95.01395	1.9
95.04992	1.3
97.02958	5.6
99.00871	2.0
99.04516	12.2
101.02442	100.0
105.77391	1.1
107.05007	4.3
109.02969	2.7
110.98518	5.0
111.00883	3.4
111.04501	4.1
112.04033	2.4
115.00311	2.3
117.03443	1.9
119.05022	7.7
120.99609	1.2
121.02949	12.2
123.04487	2.0
125.02425	4.9
135.04527	6.8
137.02440	3.4
137.06108	6.8
139.04010	52.3
143.03474	1.7
145.03024	1.5
160.96500	1.3
161.02397	3.5
163.03954	5.9
165.05469	1.6
181.04967	1.5
191.03445	3.0
193.05016	1.7
195.06612	3.6
197.04660	1.2
209.04559	2.4
223.06163	1.7
241.07158	17.1
273.03781	11.8
273.06561	1.6
273.09946	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.0
67.01890	27.8
68.99821	65.9
69.16801	29.8
69.17224	53.8
71.01382	27.5
71.22086	7.0
73.02977	10.4
75.00873	22.1
78.55703	6.4
79.01880	7.4
81.03455	19.0
83.01401	18.4
93.03457	28.0
95.01382	44.3
97.02943	15.0
98.19913	12.8
99.00860	11.3
101.02453	100.0
105.03465	12.5
107.05004	7.7
109.02934	20.8
111.00880	31.3
113.02441	10.2
117.01952	21.9
121.02966	58.0
123.00895	8.2
123.04530	47.1
125.02447	11.9
127.04028	43.4
133.02966	22.4
135.04559	9.0
137.02420	17.8
138.03282	9.2
139.03989	11.2
141.01909	16.9
143.03494	17.5
149.02449	51.7
151.03973	16.3
155.03517	85.0
165.01880	17.5
165.05559	22.8
167.03494	26.2
171.02977	12.4
177.01909	20.9
179.03546	30.8
181.05028	23.4
185.04494	16.2
193.01335	9.5
195.03015	19.2
197.04535	21.9
209.04547	52.8
223.02356	11.8
225.04056	11.5
241.03531	19.0
255.04985	11.6
273.06067	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	273.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	11.9
67.01880	20.1
68.99821	41.8
71.01366	17.3
72.99324	5.8
73.02948	19.3
75.00871	26.2
76.56860	4.2
78.95911	8.4
79.01890	5.9
81.03465	21.2
83.01397	8.3
85.02954	5.4
87.00879	7.8
93.03452	29.0
95.01395	24.0
95.05006	14.1
96.96001	6.6
97.02950	17.8
98.19823	6.4
99.00870	12.7
101.02443	100.0
105.03479	6.2
107.05017	10.9
108.02167	5.8
109.02939	18.6
109.77392	4.1
109.78949	4.1
110.98533	8.7
111.00885	32.5
111.04521	7.5
113.02471	8.6
117.01908	15.4
121.02977	39.4
123.00842	10.4
123.04530	28.4
125.02431	13.9
127.04009	40.3
133.02953	9.8
135.04515	4.4
137.02451	17.6
139.00383	5.3
139.03972	13.6
141.01967	23.3
143.03470	14.5
149.02429	35.1
151.03961	15.3
153.01897	13.2
153.05576	7.3
155.03537	55.6
165.01883	15.8
165.05548	18.0
167.03464	25.6
169.01422	5.7
169.04962	4.0
171.03017	14.2
177.01930	12.9
179.03482	18.2
181.05063	13.8
185.04497	17.0
192.85977	4.0
195.03062	8.6
197.04567	23.2
205.01395	6.6
207.03197	5.8
208.69341	5.1
209.04587	31.3
211.82237	4.2
213.04079	6.0
223.02504	9.9
225.03940	11.6
227.05576	9.0
241.03603	12.1
255.05037	13.8
273.03586	6.4
273.06149	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	269.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32937	0.8
59.01369	3.0
62.35719	0.8
70.70013	2.4
70.70363	1.0
71.01392	2.2
87.00877	100.0
89.00667	6.0
89.02454	4.7
101.02420	1.4
101.41830	0.8
121.84727	0.7
129.63393	0.9
131.01709	1.6
149.02789	3.9
167.03835	7.7
181.07191	2.3
269.06964	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01369	0.8
61.98837	0.4
68.99553	0.9
71.43737	0.5
82.69643	0.2
88.98762	0.3
89.02431	0.7
89.41936	0.3
108.02189	0.6
109.02958	0.4
112.98538	1.0
123.71493	0.3
125.02451	0.5
134.97768	0.6
150.93761	0.3
154.99989	0.3
176.98822	1.8
211.20642	1.5
225.22316	1.6
241.05156	0.4
253.21638	1.5
269.21231	0.7
271.22772	100.0
272.23123	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.98826	0.4
64.38812	0.3
66.76696	0.2
68.99567	0.5
69.30476	2.2
89.02447	0.8
98.19931	0.6
108.02180	0.7
109.02948	0.3
112.98550	0.5
125.02427	0.7
128.36388	0.3
156.57295	0.3
176.98785	1.0
187.19443	0.3
193.45337	0.3
225.22205	3.7
253.21753	1.1
258.02725	0.3
265.71460	0.3
269.21240	0.8
271.22781	100.0
272.23123	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.3
65.82295	1.2
67.01879	2.1
68.99811	10.1
69.86700	1.5
71.55689	3.0
81.49741	1.5
85.02985	1.6
85.28295	1.2
87.00867	1.8
89.03942	2.2
91.05505	3.1
93.03436	2.8
99.00893	1.8
99.18980	1.5
103.05557	3.1
105.03485	1.4
107.05017	2.6
109.03004	2.0
113.02399	1.4
114.09480	1.7
117.03434	9.0
119.05013	17.9
121.03024	2.3
123.04527	5.6
130.04314	1.5
131.05013	4.8
132.02150	7.0
133.02942	19.7
133.06534	2.4
134.03770	3.1
135.04539	2.2
137.02448	7.8
137.06084	3.0
145.02934	16.5
147.00873	1.7
147.04518	37.9
148.01700	1.4
148.05305	19.5
149.02443	9.9
149.06090	3.5
151.04005	1.8
160.01649	22.1
161.02441	76.3
162.03128	4.8
163.04012	1.6
163.07666	1.5
164.04791	3.7
173.02458	3.4
174.03244	2.8
175.04005	44.3
177.01979	7.5
177.05505	6.5
179.03563	4.5
188.01147	26.0
189.01929	89.4
190.02596	5.3
191.03540	12.8
192.04298	38.8
192.43164	1.7
192.80618	1.5
193.05051	10.3
203.03517	29.9
204.03685	1.9
205.01434	5.6
205.05087	13.8
207.03006	6.0
207.06628	5.9
219.03036	2.9
220.03758	98.8
221.04398	8.9
223.06134	2.8
235.06111	100.0
236.06662	3.7
239.05548	1.8
247.02518	5.9
252.06564	3.1
267.08777	45.5
267.16031	2.5
268.09094	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0724
Annotation	formycin b
Peak:m/z	Relative Intensity
55.01881	0.6
57.03456	3.5
58.00595	0.7
59.01383	20.9
61.69914	0.2
67.01884	0.4
68.85511	0.2
68.99826	0.4
69.03468	0.6
71.01385	30.6
71.53931	0.2
71.66068	0.2
72.99311	3.8
73.02940	1.2
75.00878	13.2
78.95914	0.8
83.01394	0.9
84.02203	0.5
85.02956	30.1
86.03278	0.4
87.00882	12.6
89.02448	9.5
91.04021	0.9
95.01391	5.0
96.95997	0.4
99.00888	8.1
99.04556	0.3
101.02446	1.2
103.00375	2.6
111.00899	0.6
112.01661	1.0
113.02457	39.1
114.02810	0.5
115.00359	1.6
117.01945	2.9
127.04064	0.2
129.01961	2.1
131.03506	0.9
136.94061	0.4
149.04573	0.7
154.06941	0.2
157.01431	0.8
169.01660	0.3
175.02480	2.1
187.02759	0.3
202.72108	0.2
205.07210	0.7
207.05122	1.8
248.97481	0.3
249.06177	3.9
267.07220	100.0
267.98199	0.3
268.07596	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	265.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
59.01390	5.4
69.36113	7.3
71.01377	1.8
72.99290	1.0
75.00861	1.2
75.83179	0.7
80.60957	0.8
83.01384	1.6
93.03459	35.8
98.20646	1.5
108.09167	0.9
117.03465	1.9
118.25159	0.9
118.99873	5.9
119.05030	15.0
121.02981	1.5
121.06577	1.1
125.06149	0.8
130.04263	2.3
131.05038	14.6
133.06602	10.1
135.04485	2.2
137.00633	2.3
138.17032	0.9
145.02960	7.8
147.04523	24.0
147.87854	0.8
149.06105	7.9
158.03642	2.8
159.04509	10.4
163.03970	2.1
175.03992	1.7
177.05566	100.0
178.05885	3.0
188.07120	1.2
248.02965	0.9
265.07373	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.096
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08851	0.4
58.99607	3.7
59.01382	8.8
71.01397	0.5
73.02930	0.4
76.55080	0.3
87.00877	4.1
87.02753	1.9
94.10732	0.3
102.98598	0.4
104.07208	0.4
107.48827	0.3
115.05750	0.3
131.05359	1.6
133.06938	100.0
134.07303	1.8
191.05679	0.5
203.07457	6.8
221.08525	16.8
222.08867	0.7
229.42566	0.5
239.47540	0.4
263.09637	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	263.1287
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
56.66531	2.2
57.03452	3.0
59.01384	41.0
60.75135	1.9
69.34234	16.7
71.01378	8.1
71.05003	2.6
75.54007	2.1
76.08051	2.0
83.05028	5.0
95.05002	2.0
97.02956	11.5
101.02431	2.7
105.07125	3.6
107.05034	3.7
108.05812	6.0
109.02940	9.2
109.14822	2.3
111.04533	15.7
111.08160	2.7
113.02422	2.5
113.06070	13.8
119.08672	3.9
121.06586	3.7
122.03752	12.6
123.08168	10.5
125.06046	14.0
135.08144	3.5
136.05309	14.2
137.06039	8.6
138.06876	20.6
139.07655	42.6
145.06566	2.6
148.05315	10.4
149.06084	5.8
151.04140	2.1
151.07654	75.8
152.04790	9.9
152.08435	40.4
153.09190	12.6
159.11771	6.9
161.09726	7.8
163.07681	16.6
163.11459	2.3
163.92099	2.0
167.07161	5.1
167.90498	2.4
170.05841	2.9
175.11275	2.0
185.09761	4.0
189.09167	9.3
201.12872	27.5
203.10770	26.3
204.11548	78.4
209.11819	2.9
219.13913	100.0
220.14304	3.7
238.65123	2.3
263.10330	2.5
263.12900	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	263.062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01375	12.0
69.26611	1.0
69.27018	3.5
71.01378	16.8
72.99277	0.9
73.01449	0.7
73.02924	0.7
74.99370	1.9
80.91676	7.2
80.96515	0.7
83.01407	1.1
85.01443	4.4
85.02946	1.9
89.02456	0.8
98.19901	0.9
98.99375	1.7
99.00883	0.5
101.00949	13.8
101.02422	1.7
102.01030	0.5
102.98869	2.0
113.00944	4.8
114.98853	0.6
115.02475	1.6
117.00441	21.7
118.00568	0.6
120.99648	0.6
122.99329	0.6
123.03027	9.9
125.00941	19.3
126.01110	0.6
126.98828	0.6
127.02489	1.1
129.00423	1.1
139.02563	0.6
141.00429	10.8
143.01976	2.3
144.99916	3.5
147.06696	0.6
150.15857	0.6
153.00421	1.5
155.01996	10.1
159.01379	1.5
159.98604	1.3
163.03972	0.7
163.34145	0.5
167.01988	31.7
168.02144	1.5
168.99873	0.7
169.03523	0.6
171.01505	9.2
172.01694	0.7
181.07150	0.7
183.01482	7.8
185.03038	2.9
187.01074	0.6
195.01518	3.1
201.02452	0.8
203.02142	0.9
203.04065	8.1
213.02457	0.7
219.05176	0.5
221.05112	1.5
245.05144	16.4
245.07701	0.8
246.05328	1.1
263.06201	100.0
264.06436	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	259.155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.66449	0.5
63.52811	0.5
64.68800	0.5
69.38721	1.5
69.39138	2.5
71.05031	0.5
75.45067	0.6
80.02663	1.6
81.03461	1.9
83.05034	6.8
84.02145	3.4
95.05025	1.0
125.06073	1.0
135.04520	1.3
161.02438	0.7
163.11311	4.7
163.79182	0.7
165.12877	3.5
165.92805	0.5
173.04585	1.0
181.12373	0.8
191.10870	1.4
209.11829	100.0
210.12170	3.1
227.12877	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	261.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51654	0.3
57.03422	0.3
58.00578	0.4
59.01382	38.5
66.79532	0.4
69.29157	1.7
69.29581	1.3
71.01399	1.7
72.02148	0.6
73.02951	19.6
79.07620	0.4
87.04523	2.9
96.96018	11.8
97.06599	0.5
99.08163	1.1
109.06570	1.0
111.08153	1.4
112.64074	0.3
114.05638	0.4
123.08153	0.6
125.09682	0.5
127.07600	0.4
129.09204	2.0
131.05325	0.3
135.08134	1.2
137.09717	1.4
139.07686	2.5
139.11331	2.1
141.09206	1.7
143.10764	0.5
153.09222	5.4
155.10783	6.7
157.12343	4.3
158.06158	0.4
171.40543	0.4
173.11816	6.0
174.12201	0.5
191.05623	0.4
201.11310	11.4
202.05113	0.5
217.10785	0.4
219.12375	100.0
220.12712	3.1
222.86301	0.3
225.39932	0.3
261.03757	0.4
261.07996	6.9
261.13431	19.0
261.22223	0.4
262.13925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.8
59.38717	0.3
60.01719	1.9
61.01789	0.3
61.98833	100.0
64.71117	0.3
67.10361	0.3
70.35084	1.3
71.01388	0.4
72.99327	0.4
78.95958	0.4
87.00889	0.4
89.97043	0.3
96.96044	0.7
134.03734	0.7
136.93994	0.5
142.99963	0.6
167.03845	1.1
173.00903	0.4
212.06529	0.5
254.85382	0.5
255.05568	1.4
255.23344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0223
Annotation	D-Allulose 6-phosphate
Peak:m/z	Relative Intensity
57.03453	3.0
59.01372	2.9
64.63075	1.3
70.27903	2.4
70.28298	2.8
71.01378	8.9
72.99310	1.6
73.02966	2.7
73.67348	1.4
78.95907	100.0
83.01389	2.3
85.02930	4.1
87.00865	3.8
88.98835	1.7
96.96040	7.3
96.96964	36.2
98.20041	2.0
99.00883	13.6
99.49627	1.4
101.02394	2.2
110.98492	1.7
111.00887	7.7
112.98820	25.2
129.01933	5.7
138.98016	2.8
145.01323	1.7
173.00874	8.1
186.17346	1.4
205.03600	1.9
217.10822	3.2
241.01282	6.6
259.02267	41.1
259.05048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14529	0.5
59.01380	17.8
60.96916	0.5
62.14146	0.5
62.78433	0.5
71.55313	0.5
97.53192	0.5
108.56924	0.5
125.09750	1.2
137.09729	8.0
153.09145	0.9
155.10783	100.0
156.11115	3.2
171.10278	21.3
181.08734	2.5
199.09753	37.5
200.10136	0.8
215.12868	1.0
217.10803	98.4
218.11145	2.7
223.09799	1.1
259.11853	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	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01381	0.7
71.01378	0.9
71.55138	0.2
72.99306	0.2
89.02447	0.2
90.97146	0.2
103.04023	0.5
113.75102	0.2
118.51071	0.2
121.02957	0.3
132.98228	0.2
151.81424	0.2
162.40083	0.2
165.01984	0.2
174.99164	0.3
184.00061	1.0
186.95561	0.9
203.10748	0.2
204.15047	0.2
209.61900	0.2
220.17073	0.6
231.13959	0.3
247.17018	100.0
248.07928	0.8
248.17372	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	249.1496
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
57.03416	1.2
59.01377	10.5
65.05461	0.9
69.03455	29.3
71.05018	1.4
72.46581	0.9
83.05015	2.9
93.03429	0.9
95.05006	3.2
97.06571	1.6
98.19912	3.7
102.35491	0.9
106.04229	2.0
111.08184	1.1
112.98547	2.3
133.10185	1.2
134.07394	1.3
134.11870	1.0
136.94501	1.0
143.18797	1.1
149.13321	2.9
153.12881	1.0
154.97305	1.3
161.13463	1.2
167.10759	3.2
171.10228	1.2
175.11266	1.4
187.14909	4.1
193.12311	5.8
204.04288	3.9
205.12393	9.3
205.15985	11.8
219.06564	2.3
221.15453	16.3
231.13899	31.6
232.14101	1.6
248.97270	1.6
249.14952	100.0
250.15125	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	253.093
Annotation	2-O-(alpha-D-Glucopyranosyl)glycerol
Peak:m/z	Relative Intensity
58.00592	0.7
59.01385	100.0
61.98823	0.9
63.76212	0.6
67.76234	0.7
69.86425	2.3
71.01397	1.1
73.02944	1.6
78.48643	0.6
85.02971	0.8
89.02454	1.7
97.03070	0.6
101.02473	1.8
115.00433	0.6
120.99685	0.7
123.58013	0.6
133.01494	1.1
136.05241	0.7
136.98515	0.7
154.99614	0.9
161.04616	1.0
191.07159	1.2
193.07184	3.9
199.46095	0.6
253.03976	1.0
253.07112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.061
Annotation	5-Acetonyl-7-hydroxy-2-hydroxymethyl-chromone
Peak:m/z	Relative Intensity
50.54562	0.6
59.01384	3.8
71.01383	3.8
71.55693	1.0
72.99304	0.9
93.03425	0.9
101.02460	0.8
103.03993	2.2
109.02915	1.2
124.01642	0.9
133.02969	4.5
135.04480	0.7
145.02937	1.6
146.03734	13.6
147.04491	2.9
147.08160	1.7
148.05328	0.9
154.91605	0.7
157.06586	2.8
159.04501	7.7
160.05280	1.4
161.02470	0.7
163.03886	0.8
171.04514	1.9
172.05460	0.9
173.02438	1.0
173.06084	5.5
174.03218	45.7
174.06808	2.2
174.99239	1.4
175.03720	1.0
175.07632	33.8
176.07976	1.3
177.01942	1.1
185.06079	12.9
186.95557	2.1
187.03998	9.3
188.04771	8.9
189.01938	15.7
190.02710	14.5
191.03278	1.1
202.06326	1.0
203.03514	1.5
203.03871	1.2
203.07137	48.1
204.07458	1.7
209.12360	0.8
217.01373	1.4
218.02188	9.5
219.06607	23.2
220.03813	1.2
220.06963	1.0
232.03629	1.4
247.06099	100.0
248.06465	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	245.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58630	2.2
55.01888	2.1
58.00592	2.6
59.01382	72.2
61.98832	34.7
63.44718	2.0
64.02264	1.9
65.70594	2.6
68.55516	2.0
69.28183	2.9
69.28836	11.3
71.01385	24.8
72.99311	6.5
73.02936	2.4
78.95903	5.6
89.02448	40.4
96.35903	2.5
99.05673	2.3
101.02450	66.2
104.46891	2.1
113.02457	7.1
115.05129	3.8
115.57545	2.4
117.06747	5.2
119.02651	5.1
119.03506	100.0
131.03531	2.9
143.03506	3.1
145.55798	1.9
149.04582	4.6
152.95993	2.8
152.99597	3.3
160.43445	2.1
170.97014	6.9
186.07759	4.1
191.05618	3.1
199.07225	8.8
204.08707	3.1
209.06656	42.3
239.28937	2.1
245.04393	23.4
245.07733	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	245.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01381	41.0
69.20819	0.8
69.21217	3.5
71.05025	1.8
77.16789	0.4
85.06590	0.5
97.06572	0.4
127.11308	2.8
134.13573	0.4
137.09746	0.6
139.11288	1.5
155.10770	2.4
157.12344	17.5
158.12785	0.5
185.11832	15.1
186.12173	0.7
203.12878	100.0
204.13261	2.8
245.04625	0.6
245.11560	0.6
245.13936	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	245.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95947	0.4
59.01382	38.2
62.51664	0.5
70.56460	0.8
70.56821	1.0
127.11287	4.3
139.11292	1.6
140.05560	0.4
155.10817	2.2
157.12341	17.7
158.12726	0.5
175.42259	0.4
185.11827	16.2
186.12245	0.6
203.12885	100.0
204.13203	3.3
245.13884	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	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21800	0.7
57.03448	1.3
58.00587	1.1
59.01380	9.2
63.89061	0.7
65.80029	0.8
69.31524	7.1
71.05012	1.8
78.39546	0.7
80.02700	2.0
81.03448	1.3
83.01356	1.0
83.05041	5.8
84.02153	2.7
98.19907	1.4
109.34454	0.8
113.67737	0.8
125.09708	4.1
127.11314	8.1
139.11241	0.9
142.06606	1.4
155.10724	2.6
157.12337	2.6
163.11256	3.4
165.09161	3.1
165.12888	1.9
171.10277	3.4
183.10234	1.1
191.10753	1.4
199.09750	2.1
201.11327	91.3
202.11578	2.6
203.12901	25.0
204.06599	1.0
209.11832	100.0
210.12154	2.8
227.12877	17.3
245.13927	5.9
262.96207	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
54.59594	0.6
57.03434	1.3
58.37484	0.7
59.01384	12.5
61.98829	5.4
63.73116	0.7
67.01888	1.3
70.86195	1.0
70.86531	1.2
71.01389	1.5
71.05020	1.2
79.88168	0.7
83.05007	0.8
86.64082	0.7
93.03497	0.7
95.05007	0.7
97.02963	1.9
97.06580	0.6
99.00881	9.0
101.29845	0.6
109.06604	1.5
125.09743	4.5
127.11298	2.8
139.11307	5.8
142.02736	1.4
155.14442	0.9
163.11342	5.5
179.10628	0.7
181.12347	16.6
183.10271	6.4
197.11839	1.4
199.13406	32.1
201.11328	1.7
207.10274	23.6
213.24536	0.7
225.11328	50.5
226.11746	1.8
243.02887	1.6
243.06897	2.1
243.12384	100.0
244.12770	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	244.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
61.98829	75.3
70.80458	0.8
71.01386	2.3
71.55032	1.2
73.01167	2.8
74.02921	0.8
74.10832	0.8
81.02199	1.9
85.02949	0.8
87.00826	1.5
97.02945	1.5
98.99097	3.1
100.04052	2.5
110.06127	7.8
114.00200	2.1
116.07198	2.1
122.06116	17.6
130.08740	1.4
133.16869	0.7
138.03835	3.0
140.07086	0.9
146.04475	1.0
154.02182	0.9
156.04886	26.7
157.05182	0.9
166.05067	1.8
173.04395	0.8
199.53020	0.7
200.03857	100.0
200.91083	0.8
201.04124	1.9
227.10521	1.3
244.02834	60.7
245.03036	1.7
245.06584	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53979	0.3
52.79636	0.3
59.01377	0.7
61.98834	100.0
62.64431	0.4
63.64211	0.4
69.62669	1.5
72.04553	0.4
73.62422	0.4
82.03009	0.6
85.90842	0.3
87.00871	0.6
98.02497	0.9
101.02417	0.5
110.02537	0.4
116.07195	2.3
182.08330	0.7
244.08408	1.9
252.76857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.2
59.01384	49.3
61.98824	1.6
67.35233	0.6
69.03458	2.1
69.25549	6.4
72.99315	8.2
73.94117	0.8
76.49924	0.6
79.62743	0.8
85.06600	1.9
95.05011	0.7
107.08671	4.0
109.10274	1.0
121.10262	1.0
125.09745	1.4
135.08173	0.8
139.11295	3.1
155.10818	3.2
171.10245	1.6
172.80144	0.7
183.10271	60.8
184.10620	1.4
201.11331	100.0
202.11682	2.3
207.10204	0.8
225.11324	2.6
243.03065	1.0
243.12315	8.2
243.16022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
53.30680	0.6
57.03457	1.0
59.01363	1.9
61.98832	3.4
67.01876	0.6
71.05007	3.2
73.08277	0.6
80.01968	0.5
81.03433	0.7
83.05035	1.4
91.32895	0.6
97.02957	5.5
97.06578	2.3
99.00882	19.9
109.06631	1.2
110.03728	1.8
111.00867	1.0
123.08179	0.8
125.09731	6.0
127.11304	1.4
135.08139	0.7
136.05318	0.8
142.02724	2.5
153.12846	1.1
155.14420	1.6
161.09734	0.7
163.11288	9.1
171.10330	1.6
179.10834	0.7
181.12332	21.9
182.12561	0.7
185.85696	0.6
193.81102	0.7
197.11958	1.3
199.13388	15.5
200.13713	0.9
201.11327	0.7
207.10260	43.7
208.10614	1.8
225.11317	81.8
226.11685	3.4
243.12360	100.0
244.12772	3.1
260.20422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
55.43609	1.0
59.01366	1.5
61.98828	1.7
62.02452	0.9
64.44429	1.0
66.03490	15.1
68.01413	1.9
70.01590	2.0
70.01981	2.5
71.01377	3.4
71.61293	1.1
82.02982	30.1
82.43548	1.0
88.13280	1.0
91.94882	1.1
94.02994	2.4
96.04536	2.5
98.20535	1.5
108.04567	2.6
110.02479	100.0
111.01995	6.3
111.02711	1.3
112.98792	2.3
117.01869	1.3
120.04517	1.4
122.02467	9.3
124.04061	2.5
132.03058	1.2
138.01935	1.6
140.03529	11.7
142.99867	1.8
152.03513	18.0
153.03053	10.5
157.89516	1.1
158.65749	1.1
173.00937	3.0
182.04698	1.3
200.05638	45.3
205.03667	2.1
210.98274	1.1
215.08083	1.1
243.06221	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
59.01374	2.5
61.98833	5.1
67.01900	1.1
71.01398	0.6
71.05030	1.8
72.99355	0.6
73.02936	0.7
82.67624	0.7
97.02962	1.8
97.06598	0.8
99.00877	9.8
109.06581	3.1
110.02499	1.4
110.03789	0.8
111.00895	1.0
125.09727	2.9
135.08260	0.8
142.02731	1.0
153.12817	1.1
155.14418	0.8
163.11259	4.7
169.12361	0.8
171.10248	0.7
180.55469	0.7
181.12360	14.4
197.11853	2.5
199.13409	27.6
200.13643	0.8
207.10248	25.6
207.12207	1.4
225.11319	42.1
226.11537	1.2
243.12366	100.0
244.12732	2.7
252.73364	0.6
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	Phaeofuran B
Peak:m/z	Relative Intensity
57.03448	1.4
59.01379	4.7
61.02348	1.3
61.98837	1.1
67.01897	3.8
68.80282	1.2
68.99824	16.6
71.01395	7.1
71.56478	1.1
73.02946	5.5
75.00877	1.0
81.03458	1.9
85.02970	2.3
87.00890	1.3
89.02463	2.6
93.03465	1.8
95.05040	4.0
97.02971	1.8
99.04521	2.4
101.02451	38.4
104.44167	1.1
106.52785	1.0
108.02131	1.1
109.02949	5.0
111.00919	1.4
111.04536	1.4
119.05045	1.2
121.02956	2.0
125.09741	1.3
127.04002	8.7
137.09818	1.4
139.04031	5.4
142.26123	1.1
145.59271	1.2
149.09811	1.7
151.11285	3.2
153.09232	1.8
155.10805	1.9
159.26059	1.1
159.27359	1.1
159.91533	1.1
161.09726	1.6
163.04065	1.5
165.05585	1.3
166.86115	1.1
169.12350	100.0
170.12733	3.5
179.10686	2.5
181.05673	1.8
181.07182	14.2
181.08662	1.7
183.10226	1.3
195.13953	1.2
197.04573	1.1
197.11848	20.4
205.22734	1.1
211.06232	1.9
223.06168	1.3
223.09851	3.4
241.07103	2.9
241.10835	51.2
241.14496	4.6
241.21817	1.8
242.11273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1082
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
54.09330	0.6
59.01378	42.0
67.01875	1.7
68.99815	7.6
69.03457	3.8
69.39568	4.6
71.01374	2.1
72.99305	3.2
73.08405	0.6
81.03445	0.9
84.87363	0.6
93.03464	1.1
95.05025	1.4
96.96002	0.8
97.79514	0.7
99.04498	0.9
101.02441	15.9
107.07963	1.1
107.08664	17.8
108.09024	0.8
109.02958	2.6
117.75949	0.7
119.08646	1.9
121.02946	1.0
123.04466	1.0
123.08147	1.6
127.04016	5.2
133.03018	0.6
135.08118	1.2
139.00386	0.9
139.03981	2.3
151.04030	0.9
151.07611	1.8
153.09189	0.9
161.02458	0.8
163.07651	1.0
169.08762	1.2
169.12325	0.8
181.07173	5.2
181.08707	15.6
191.03505	1.2
199.09749	100.0
200.10143	2.9
241.04974	1.0
241.07210	2.8
241.10875	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	241.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41562	0.7
54.03270	0.6
55.01875	2.2
59.01389	0.8
65.03951	0.9
67.01912	1.8
68.99819	43.7
69.03448	3.2
69.63240	4.3
71.01370	4.2
71.05013	2.6
75.00817	0.8
81.03452	17.1
83.01367	3.6
84.02177	3.0
85.02927	3.8
87.57763	0.7
91.05523	1.0
92.88815	0.6
93.03456	4.6
95.01390	1.8
95.05051	0.8
97.02930	3.3
98.19839	0.8
99.04514	16.3
101.02443	100.0
102.02814	1.4
104.49426	0.7
105.03423	1.0
107.05034	2.8
109.02940	2.2
111.00864	6.0
111.04543	3.5
117.03482	0.8
119.05028	2.4
121.02954	8.9
123.00875	1.0
123.04518	1.5
125.02451	7.2
127.04005	5.2
130.31876	0.8
133.02965	3.1
135.04520	3.3
137.02412	1.4
139.04012	40.0
140.60268	0.6
142.02733	2.3
143.03510	2.5
145.02951	1.5
147.04501	1.2
151.04066	1.3
155.03487	2.8
161.02422	5.2
163.03992	1.3
165.05568	2.0
166.02698	0.7
177.05562	0.8
179.03564	1.1
181.05052	0.8
181.07164	2.1
191.03493	5.2
193.05058	2.7
209.04567	1.8
211.06107	1.4
223.06136	1.4
239.38403	0.7
241.07162	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	241.108
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03450	2.0
58.13951	0.7
59.01388	2.0
61.98796	0.9
67.01900	1.6
68.99828	6.8
69.03460	2.2
69.58438	1.5
69.58850	3.2
71.01392	2.8
71.05021	3.6
81.03467	1.7
83.05016	0.9
85.02970	0.9
89.02460	1.4
96.95998	1.4
98.19958	1.3
99.04545	1.2
101.02441	16.7
109.02938	2.1
121.03008	1.2
123.08148	1.0
125.09728	2.1
127.04028	3.3
135.04520	0.7
139.00354	0.8
139.04028	3.2
151.11256	1.2
153.05678	0.6
153.12842	3.7
161.09738	1.0
163.03975	0.8
165.05684	1.0
179.10750	7.1
181.07224	7.6
191.03653	0.9
197.11826	100.0
198.12173	3.0
223.09622	3.6
224.56799	0.7
241.00250	1.3
241.10809	93.3
242.11115	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	241.0719
Annotation	(+)-Butalactin
Peak:m/z	Relative Intensity
57.03459	0.7
58.54388	0.6
60.36828	0.6
66.30068	0.7
67.01891	17.8
68.99820	50.5
69.03454	1.8
69.38258	2.4
69.38680	2.6
71.01382	1.9
72.99321	1.0
81.03468	2.0
81.05175	0.7
83.74186	0.6
85.02951	3.0
93.03464	2.0
95.01373	0.8
97.02955	2.0
99.04519	1.0
101.02448	100.0
102.02758	1.6
105.03501	0.9
107.05027	2.6
109.02955	52.3
110.03329	1.0
112.01683	0.8
121.02975	5.4
123.04515	2.6
125.02434	5.6
127.04021	32.3
135.04533	1.7
137.02435	0.9
139.04016	15.3
149.02499	0.8
151.04034	3.4
153.05647	0.7
155.03543	1.6
156.59846	0.8
163.04053	0.7
165.01866	0.7
165.05559	1.6
169.04903	0.7
179.03531	2.4
181.05098	1.5
181.09190	0.6
191.03520	1.2
193.05078	1.3
209.04642	1.1
211.06126	13.6
223.06152	1.6
241.07179	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	241.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95555	0.6
55.01863	2.0
61.67131	0.6
64.67164	0.7
67.01900	1.1
68.99814	43.0
69.03452	3.3
70.80272	1.6
71.01377	3.6
71.05021	2.3
81.03455	15.9
82.14764	0.8
83.01387	2.2
84.02157	3.3
85.02954	4.8
92.70768	0.5
93.03445	4.7
94.03815	0.6
95.01398	1.1
95.05045	0.7
95.76163	0.6
97.02949	2.9
99.04004	0.4
99.04518	17.3
101.02440	100.0
102.02770	1.1
105.03487	0.7
107.05013	2.7
109.02941	1.3
111.00869	6.2
111.04497	4.1
113.02460	1.0
119.05023	2.8
121.02961	7.3
123.00908	1.2
123.04539	1.0
125.02446	7.4
127.04032	1.6
133.02948	2.7
135.04510	1.6
137.02443	1.7
139.04010	47.7
140.04393	1.0
141.29132	0.6
142.02713	1.3
143.03554	3.2
145.02971	1.8
147.04539	0.8
151.03998	1.1
155.03516	2.6
157.37259	0.7
161.02464	5.0
163.03990	2.4
165.05580	1.6
179.03459	1.2
181.05139	0.9
181.07109	1.0
191.03513	5.6
193.05025	3.1
195.06578	0.6
205.05208	1.0
209.04588	2.3
211.06155	1.8
223.06125	2.0
241.07193	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	241.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67833	0.6
55.01859	1.4
57.03429	0.5
60.30418	0.6
65.03947	1.0
68.99816	38.9
69.03447	3.6
69.31528	5.0
69.79692	0.6
71.01369	4.0
71.05016	1.8
81.03457	14.3
83.01382	3.1
84.02179	2.3
85.02950	3.3
91.05522	1.1
93.03459	5.1
95.01382	0.6
97.02942	2.7
98.19827	1.3
99.04520	19.7
99.05167	1.0
100.04831	0.9
101.02441	100.0
102.02776	1.4
103.07726	0.6
105.03471	1.1
107.05017	2.7
109.02955	2.2
111.00869	4.8
111.04499	3.7
113.29877	0.6
117.03474	1.2
119.05032	2.1
121.02975	7.4
123.00919	1.4
123.04539	1.1
125.02435	8.2
127.04052	1.4
133.02946	2.2
135.00897	0.8
135.04539	2.3
136.01675	0.7
137.02452	0.9
139.04012	49.5
140.04324	0.8
142.02718	1.6
143.03534	3.4
145.02988	1.7
147.04524	1.3
149.02499	0.7
151.03955	0.8
155.03477	2.1
161.02444	5.9
163.04022	1.8
165.01817	0.9
165.05550	1.1
173.02396	0.8
177.05614	0.7
179.03568	0.9
181.05006	0.8
191.03479	5.4
193.05124	3.0
200.60381	0.5
205.05019	1.1
208.71770	0.6
209.04576	1.7
211.06076	1.9
223.06068	2.4
232.86470	0.5
241.07201	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	241.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92549	0.8
67.01891	39.4
67.98309	0.9
68.99812	30.8
69.03427	0.9
69.46069	6.0
71.01376	3.3
71.05014	0.8
72.39342	0.7
73.70712	0.7
74.96148	0.8
75.00871	1.8
79.12246	0.7
81.03458	4.2
83.05047	1.1
83.95289	0.8
85.02928	1.2
93.03457	3.0
95.05043	1.3
97.02954	1.2
99.04523	6.3
101.02438	62.0
105.03447	1.2
107.05028	2.1
109.02957	10.2
109.97076	0.8
111.04500	1.2
112.01678	1.7
117.03458	3.2
119.05019	1.6
121.02951	9.2
123.04535	4.3
123.60565	0.7
124.01661	0.9
124.45985	0.7
127.04014	100.0
128.04359	2.3
133.02972	4.5
133.03867	0.7
133.06561	2.4
135.04517	3.4
137.02417	2.7
137.06056	1.7
139.04007	2.2
145.02956	4.2
146.80170	0.8
147.04523	1.5
149.02425	0.8
151.04010	2.9
157.05168	0.9
161.02435	12.5
163.04010	2.8
165.01964	1.9
165.05516	2.4
167.03488	2.6
168.64323	1.0
173.02382	1.8
177.05553	5.6
179.03448	1.9
181.05022	2.7
191.03473	13.6
193.05058	6.8
195.06587	1.6
197.04539	4.6
198.05127	0.9
205.04997	3.3
209.04514	2.0
223.06126	3.1
241.07191	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	239.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39235	1.0
55.01861	3.5
55.70151	1.0
57.03448	11.3
59.01381	28.8
67.01889	3.3
68.09741	1.0
69.03448	2.9
69.22276	6.9
69.22704	2.9
69.63696	1.2
69.98105	0.9
71.01370	2.1
71.05035	1.5
80.02689	2.3
81.03471	5.4
83.01395	5.4
83.05025	24.0
84.02164	8.4
85.02949	100.0
86.03310	1.4
87.00868	4.2
89.02489	1.0
95.05001	2.3
97.02951	13.9
99.00869	2.2
109.06580	3.5
110.03728	3.3
111.04523	1.2
129.01913	1.3
142.02740	3.4
149.09648	1.5
155.10793	4.6
161.04558	5.6
171.10271	10.6
175.11252	2.2
177.12851	10.8
179.05612	28.4
193.12312	7.5
195.13892	5.5
196.23187	1.4
211.13425	2.9
221.11815	56.7
222.12143	1.7
223.02737	1.1
234.10606	1.1
239.12875	96.1
240.13165	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	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.39235	1.0
55.01861	3.5
55.70151	1.0
57.03448	11.3
59.01381	28.8
67.01889	3.3
68.09741	1.0
69.03448	2.9
69.22276	6.9
69.22704	2.9
69.63696	1.2
69.98105	0.9
71.01370	2.1
71.05035	1.5
80.02689	2.3
81.03471	5.4
83.01395	5.4
83.05025	24.0
84.02164	8.4
85.02949	100.0
86.03310	1.4
87.00868	4.2
89.02489	1.0
95.05001	2.3
97.02951	13.9
99.00869	2.2
109.06580	3.5
110.03728	3.3
111.04523	1.2
129.01913	1.3
142.02740	3.4
149.09648	1.5
155.10793	4.6
161.04558	5.6
171.10271	10.6
175.11252	2.2
177.12851	10.8
179.05612	28.4
193.12312	7.5
195.13892	5.5
196.23187	1.4
211.13425	2.9
221.11815	56.7
222.12143	1.7
223.02737	1.1
234.10606	1.1
239.12875	96.1
240.13165	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	236.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
61.98835	0.5
69.34096	1.4
71.42379	0.2
90.54044	0.2
98.20596	0.4
118.00733	0.2
134.03743	0.4
135.04524	0.3
136.05309	0.4
148.05309	6.8
149.06139	0.2
149.09720	0.7
151.27495	0.2
162.06883	0.3
175.07628	0.3
176.08441	0.7
177.09210	34.9
178.09572	0.8
189.09148	0.3
190.09999	1.6
191.10796	0.7
191.32553	0.2
192.11560	25.7
193.12027	0.9
201.09210	0.6
203.07170	0.6
206.66499	0.2
216.88672	0.2
217.08673	2.6
218.09468	7.3
219.09764	0.3
236.10530	100.0
237.10913	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	237.0616
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03448	1.4
59.01398	0.7
70.51799	1.2
70.52137	1.1
71.01394	0.9
72.99301	1.0
78.95900	2.7
85.02991	1.4
87.00879	100.0
88.01198	0.9
89.02457	0.9
93.50079	0.6
103.47456	0.6
120.67987	0.6
120.99623	0.8
129.01953	13.0
237.06134	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	237.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01381	0.8
62.16147	0.2
67.11870	0.3
71.01398	0.8
71.53495	0.4
75.00867	0.3
76.45184	0.3
78.95895	0.4
85.02945	1.4
87.00882	100.0
88.01223	0.7
101.02439	0.3
108.67082	0.2
111.00887	0.4
115.00381	0.3
118.11069	0.3
129.01955	11.7
130.02254	0.2
154.90593	1.1
178.95050	0.5
219.05104	0.9
237.06136	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	233.0819
Annotation	Bhimanone
Peak:m/z	Relative Intensity
59.01382	100.0
60.99300	1.0
67.01898	4.6
68.99821	1.0
69.03450	1.3
70.26055	3.0
71.01396	2.0
72.89941	1.0
93.03465	19.6
101.02438	0.8
105.41653	0.8
109.02921	1.3
111.04534	3.1
121.02991	1.1
125.54958	0.7
134.03685	0.8
136.01648	1.0
147.04526	2.5
147.43985	0.8
149.06110	2.1
159.04526	7.6
161.01115	1.5
161.02451	28.1
161.03758	1.9
169.06590	1.5
171.04524	3.2
172.05310	24.9
173.04565	25.5
173.06029	3.3
174.03203	1.8
175.04007	53.0
176.04750	5.6
177.05553	1.5
185.06067	2.6
186.06894	2.3
187.07645	32.1
189.05602	10.4
189.09268	1.1
197.06097	1.6
200.04767	8.2
203.03452	2.3
204.04292	5.0
204.07941	1.4
205.08644	6.8
208.03735	3.0
215.07121	72.6
216.07472	2.9
231.06621	2.1
233.08202	88.6
233.15466	23.9
234.08566	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	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.6
59.96730	0.4
60.97511	0.5
67.01890	0.3
70.17252	0.6
72.84576	0.2
74.99066	7.1
80.02612	0.2
86.35561	0.2
91.02226	0.9
93.00150	1.7
93.03459	2.5
96.01084	0.3
96.95987	0.3
102.81976	0.2
111.04555	0.4
118.96239	1.3
134.99397	6.2
136.97334	1.7
141.07436	0.4
143.05316	1.0
149.00963	59.7
150.00980	1.3
150.98862	0.7
159.08488	1.9
161.06415	2.5
173.04567	2.5
201.04153	0.5
215.05663	1.1
217.07201	85.8
218.07347	4.1
233.10330	100.0
234.10503	5.6
235.08275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0983
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
50.61306	0.5
52.26534	0.6
59.01380	8.5
60.01713	2.5
64.01772	0.7
66.28069	0.5
69.46239	3.8
71.01376	0.8
71.05023	11.3
72.00906	1.6
72.99306	0.8
86.02483	6.6
86.04459	0.6
87.00884	3.1
89.31599	0.5
93.03457	0.8
94.03808	1.4
98.06150	1.0
99.04528	3.7
104.03541	94.7
105.03841	1.3
111.00936	0.6
116.07188	1.7
132.03021	2.4
146.08232	11.3
147.01207	0.8
147.06642	1.0
158.08284	1.5
160.02550	0.5
163.35760	0.5
173.04623	1.0
174.04897	3.9
188.09279	6.4
234.09819	100.0
234.15649	3.0
235.10139	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
57.03455	12.0
59.01383	100.0
60.99321	1.5
67.01901	6.6
68.99837	3.4
71.01389	52.7
71.54388	1.7
72.99307	1.8
73.02947	9.8
79.09877	1.3
83.01398	12.0
85.02946	9.3
87.00864	3.8
93.03471	10.2
96.96008	5.9
99.00889	24.6
106.92500	1.4
109.46586	1.3
111.00893	23.2
111.04537	2.5
115.00385	2.2
118.94234	2.6
121.36246	1.5
129.01955	35.3
136.94147	1.3
145.00879	1.7
155.03578	1.5
173.00909	4.4
173.04544	13.7
188.99831	1.6
222.13661	1.4
232.98912	2.6
233.06624	7.4
233.15439	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	230.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02703	1.0
58.02974	13.8
59.01379	30.6
70.44088	1.9
72.04538	0.5
72.99288	0.5
73.12486	0.6
82.02985	0.8
83.01404	0.7
85.02961	0.5
86.06114	1.9
97.02974	0.6
97.06596	0.6
98.02461	3.6
100.07683	4.5
104.22128	0.6
108.04572	0.7
111.08175	0.7
112.04015	1.3
114.00172	1.5
114.09241	10.7
126.09251	33.1
127.07668	0.7
128.07172	1.8
130.08669	0.7
142.03345	1.2
142.08734	22.3
146.08218	1.6
151.03998	0.8
156.10278	1.1
157.08647	0.8
163.67232	0.6
169.08711	2.6
170.08218	12.6
184.09795	2.7
186.02238	0.6
186.11362	2.6
188.09276	100.0
189.07730	1.1
189.09619	2.7
197.57553	0.6
230.01309	1.9
230.10332	11.4
231.08733	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	227.1288
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
56.42611	0.5
59.61038	0.5
59.84384	0.5
70.55889	0.9
80.02670	1.8
81.03464	1.8
83.05026	7.0
84.02172	4.5
95.05036	1.3
105.13033	0.6
125.06052	0.6
125.09737	0.6
135.08173	0.7
163.11287	4.0
163.69658	0.6
165.12856	3.7
181.12387	0.9
191.10780	1.6
209.11826	100.0
210.12137	2.0
227.12859	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95310	0.4
52.69061	0.4
57.03426	0.4
66.32677	0.4
67.05286	0.4
71.05035	0.6
80.02684	2.4
81.03445	1.9
82.89873	0.4
83.05025	7.5
84.02175	4.0
86.21504	0.4
95.05042	0.9
98.20665	0.8
119.29801	0.4
125.06071	0.5
130.47896	0.4
135.08153	1.0
163.11284	5.5
165.12851	4.2
181.12407	1.2
191.10788	1.4
206.93304	0.4
207.57848	0.4
209.11836	100.0
210.12134	2.9
227.12901	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	230.0129
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
57.03451	1.2
58.02957	0.7
59.01387	2.5
66.03499	1.2
71.09803	1.2
73.01176	6.1
80.05058	1.7
82.02990	6.5
96.04560	25.5
98.02467	0.8
98.99110	4.1
102.44766	0.7
108.03809	1.4
108.04562	28.8
110.50304	0.7
114.00201	81.5
125.09699	1.2
126.09193	1.4
132.02936	0.8
142.03331	100.0
142.08746	1.1
143.03645	0.9
152.48198	0.7
157.08723	1.4
169.08736	3.2
170.08232	1.1
186.02304	41.6
187.02544	1.2
188.09290	6.3
213.07677	3.4
230.01283	93.8
230.10301	1.5
231.08739	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	227.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02187	0.5
57.03447	1.1
59.01384	2.0
64.13667	0.4
67.01911	0.4
68.99831	3.2
71.01385	2.7
72.99313	100.0
73.02915	0.6
75.00880	2.4
79.23574	0.4
79.95749	0.5
85.02954	1.2
89.02444	0.5
93.03473	1.0
95.05045	0.5
97.02964	0.5
97.06593	0.6
101.02486	0.9
107.05049	0.7
109.02961	0.8
109.06598	0.6
111.00901	0.7
111.04487	0.6
112.98848	1.2
113.06137	0.4
125.06075	1.0
135.04529	1.8
136.05307	0.5
137.02412	0.7
137.06082	0.8
138.06883	1.7
139.07678	3.5
150.06927	0.5
151.07652	3.9
152.04787	0.5
152.08444	4.3
153.05571	1.2
153.09235	1.6
161.88020	0.4
165.09219	4.8
167.07164	0.7
167.72128	0.4
173.00981	0.5
181.07236	1.6
183.13948	1.5
195.06602	2.0
209.08211	3.0
209.11797	2.0
227.09261	52.2
227.12898	2.2
227.20148	2.0
228.09564	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.6
68.99821	37.7
69.19493	2.6
69.19918	3.0
71.01385	100.0
73.02958	13.6
74.29366	0.6
81.03448	1.8
83.01379	0.7
83.05035	2.7
85.02942	1.1
86.57727	0.7
93.03453	2.1
99.00868	1.1
101.02464	6.2
104.26844	0.5
107.05035	2.4
109.02959	3.2
110.03753	1.3
111.04531	9.9
121.06602	2.5
123.04518	0.8
125.06085	3.1
133.06581	1.6
135.04541	5.8
149.06104	1.0
151.04033	1.1
151.07657	1.7
153.05588	25.0
165.05536	0.7
167.07108	1.8
177.05565	2.5
183.06673	0.9
195.06638	11.6
196.06943	0.7
209.08188	9.4
227.09264	60.5
228.09720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
57.03443	1.1
59.01382	12.5
69.03445	3.4
71.05018	1.7
71.12321	1.3
71.12643	1.0
75.67847	0.9
80.02666	1.3
81.03458	7.4
83.05037	6.2
84.02175	5.2
93.03464	1.5
95.05070	1.1
97.02958	11.3
99.00851	1.5
107.05064	1.1
109.06599	65.9
110.03738	6.1
110.06964	1.4
121.06596	3.7
122.06847	0.9
135.08171	9.0
136.05292	2.2
142.02708	3.5
151.07623	0.9
161.09727	2.6
163.11295	41.3
164.11603	0.8
179.10794	1.1
181.12341	16.8
189.09348	2.2
207.10268	100.0
208.10561	2.6
225.11325	84.4
226.11758	2.1
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	Unknow
Peak:m/z	Relative Intensity
59.01377	8.8
63.89075	0.9
69.23457	7.8
80.02673	2.3
81.03452	4.0
83.05032	2.4
84.02176	2.4
84.47410	0.9
85.02941	0.9
93.03455	1.5
94.40911	0.9
95.05043	1.5
97.02966	9.6
99.00889	2.9
101.02460	0.9
102.56014	0.9
104.99118	0.9
107.05023	0.9
109.06598	40.9
110.03728	5.4
121.06606	3.6
125.09743	1.9
135.08194	4.3
136.05272	1.5
141.94638	0.9
142.02747	4.9
142.45108	0.8
153.12903	0.9
161.09711	1.7
163.11302	25.5
166.27664	1.0
179.10812	1.6
181.12350	17.3
189.09196	2.3
195.02925	0.9
207.10275	93.2
208.10641	1.8
225.11334	100.0
226.11638	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	215.0712
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
55.23231	0.2
59.01381	0.6
63.23536	0.2
71.01386	0.4
87.71861	0.2
89.02447	0.6
99.00911	0.4
101.02473	0.3
113.02496	0.2
119.03525	0.2
131.03508	0.2
144.00932	1.6
153.12875	2.8
171.01912	0.3
171.10278	0.2
172.00401	0.2
172.05330	2.3
179.05591	0.2
187.07579	0.4
197.11842	2.9
200.04790	24.3
201.05173	0.7
215.01059	13.5
215.07126	100.0
215.12784	6.1
216.01276	0.4
216.07472	3.0
216.13216	0.2
228.58704	0.2
232.03760	10.8
233.04124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.2
68.99818	4.6
75.00835	0.7
81.03450	0.7
83.54948	0.7
89.03975	1.5
93.03458	1.6
95.05025	3.1
99.00871	2.1
101.02440	5.1
101.03963	2.9
105.03453	11.4
106.04230	0.8
107.05009	3.8
107.40636	0.8
109.02942	1.2
112.46747	0.8
117.03465	12.9
119.05030	9.4
121.02951	8.7
121.06597	1.4
123.04523	10.7
133.02954	46.0
133.06584	13.7
134.03738	0.9
135.04549	6.0
145.02951	40.8
147.04515	4.1
149.02448	2.9
149.06050	4.3
151.03969	2.1
161.02438	100.0
162.02817	2.0
163.00359	0.7
163.03998	11.1
163.06073	1.7
164.04697	0.8
165.01984	0.8
165.05540	4.9
173.02423	16.1
177.05574	5.3
179.03494	1.2
191.03497	72.3
192.03839	2.0
193.05046	27.9
195.02959	0.8
195.06680	1.3
205.05028	10.0
223.02467	1.4
223.06090	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	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.27673	0.6
57.03439	1.0
59.01106	0.9
59.01381	13.0
66.48203	0.5
69.03452	5.8
70.81509	1.1
71.05012	2.3
83.05029	0.8
85.06589	1.1
93.03472	0.7
95.05019	1.1
97.06583	1.0
101.02477	1.2
108.05817	0.9
109.06602	1.7
111.08127	0.9
125.09724	1.4
135.04456	0.8
141.01735	1.1
141.09175	0.7
149.09685	1.2
161.13358	1.4
163.06133	1.0
167.10777	8.9
177.12782	1.5
179.10828	3.4
179.14395	9.4
195.13898	26.1
205.12331	24.0
206.12631	0.7
223.13383	100.0
224.13741	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
68.99808	1.1
69.03466	0.7
69.52477	0.8
69.52885	3.0
71.01382	100.0
72.01744	1.0
81.03452	2.8
83.01390	1.7
83.05025	3.0
85.02950	14.2
96.06267	0.5
97.02967	1.1
99.04518	1.9
107.05019	0.9
109.02945	2.4
111.00867	0.7
111.04552	1.1
112.01686	3.3
121.06596	1.5
121.16039	0.5
123.04541	3.1
127.04029	5.0
135.04514	0.9
139.12817	0.5
149.06104	3.9
151.04024	1.7
151.07715	0.6
152.04774	2.0
153.05539	0.8
155.03482	0.6
167.07130	1.1
169.04996	0.9
177.05553	2.1
186.38594	0.5
195.06627	19.7
196.06844	0.7
213.07684	32.1
214.08098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
54.25973	0.4
55.59028	0.4
59.01392	0.8
69.03476	0.4
69.85693	1.6
69.86113	0.9
92.77017	0.4
97.04498	0.4
97.06601	0.9
150.61903	0.4
151.11288	11.5
168.98930	1.1
169.12350	100.0
170.12773	1.9
171.92400	0.4
183.13956	0.8
189.33319	0.4
195.10228	1.1
195.13898	0.8
213.05577	0.7
213.11327	23.4
213.14787	4.8
213.18474	0.6
214.11815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09076	0.7
57.03465	0.8
59.01377	13.1
62.41357	0.7
62.82021	0.8
68.99835	1.3
70.55393	1.6
70.55750	1.6
71.01376	71.5
77.36889	0.7
79.05550	4.2
79.55621	0.8
79.78806	0.8
83.05019	1.8
87.00855	1.5
93.03449	2.3
97.02970	0.9
97.06586	11.4
99.00871	1.5
105.07067	1.1
107.05018	10.2
111.04496	1.1
120.08743	0.7
121.06567	1.1
123.04530	1.4
123.08141	5.4
125.06097	4.1
133.06592	1.0
135.04495	2.0
135.27698	0.9
139.09073	0.7
139.11082	0.8
141.05603	13.1
151.07614	6.6
153.05563	3.0
167.07123	31.9
169.08682	13.8
185.08188	25.7
195.06628	4.2
213.07661	100.0
213.14943	3.2
214.07935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0769
Annotation	multiplolide A
Peak:m/z	Relative Intensity
51.87506	0.7
51.99297	0.7
57.03443	1.2
66.66219	0.8
68.99814	1.4
69.03459	1.6
71.01385	100.0
71.43405	1.3
80.31544	0.7
81.03457	3.6
83.01395	2.1
83.05038	2.3
85.02958	13.2
87.00888	1.3
95.05013	0.8
97.02979	1.8
98.37287	0.8
99.04511	1.4
100.14534	0.6
107.05042	1.7
109.02979	4.7
109.06646	0.7
111.04548	2.2
112.01660	3.2
121.06583	2.3
123.04547	3.1
125.06126	1.9
127.04003	5.5
134.03687	1.0
137.02412	0.9
149.06113	4.8
151.04045	2.1
151.07617	1.1
151.60611	0.7
152.04791	2.3
153.05614	0.9
167.07127	1.1
169.05034	2.1
169.08765	0.8
177.05632	1.9
195.06625	22.3
205.10823	0.7
213.05663	1.6
213.07692	31.4
213.14966	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84794	0.3
59.01370	0.4
60.55018	0.3
63.32997	0.4
68.09532	0.3
69.03441	0.5
69.31992	1.6
69.32400	1.1
71.42878	0.4
81.03463	0.4
95.01385	0.4
98.20646	0.8
133.46819	0.3
136.89897	0.3
155.10825	0.5
165.12851	0.6
166.64680	0.4
167.14391	1.6
169.50542	0.4
183.13907	13.3
184.14197	0.5
193.12350	3.7
196.87956	0.3
211.13402	100.0
212.13747	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01348	0.2
69.03461	0.6
72.16657	0.2
83.05022	0.5
94.40118	0.2
110.74772	0.2
137.09659	0.3
155.10852	0.3
165.12813	0.7
167.10744	0.4
167.13141	0.2
167.14366	1.0
181.12375	0.2
183.13901	12.8
184.14206	0.3
193.12325	3.9
211.13385	100.0
212.13745	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	213.0557
Annotation	3-Phenoxybenzoic acid
Peak:m/z	Relative Intensity
50.08595	0.4
54.99873	0.4
59.01381	1.2
65.40166	0.4
71.54597	0.4
71.54994	0.7
83.05045	0.5
85.42720	0.4
93.03460	100.0
94.03818	1.3
96.96032	0.5
97.02968	0.5
97.06608	0.4
107.06435	0.4
112.01030	0.4
137.02386	0.4
148.59050	0.4
168.98946	0.5
169.06584	12.8
170.01454	0.4
175.07976	0.4
183.13881	1.7
195.13884	1.4
197.99171	0.9
213.05568	21.3
213.11247	0.6
213.14973	11.9
213.18481	0.6
214.05798	0.9
220.45451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
67.31731	0.2
71.01392	0.5
80.02672	1.8
81.03458	1.7
83.01383	0.3
83.05026	8.5
93.03453	0.6
95.05038	1.0
97.06589	0.5
98.00990	0.2
109.06590	0.6
109.66080	0.2
121.02962	6.3
125.06049	1.0
125.09739	0.2
135.04533	0.3
135.08150	1.2
137.02441	0.2
147.11812	0.3
147.22125	0.2
156.78639	0.2
163.11292	7.3
164.11652	0.2
165.12856	3.8
169.06561	0.2
177.01959	0.3
181.12328	0.8
191.03262	0.2
191.10774	2.1
194.02045	0.2
209.04605	2.0
209.11827	100.0
210.12161	2.7
218.33003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01385	2.7
62.18753	0.2
64.43423	0.2
68.99786	0.3
69.40374	1.7
71.01389	0.5
75.07231	0.3
75.98596	0.3
80.02688	2.0
81.03453	2.1
81.04227	0.2
83.01376	0.5
83.05032	7.5
85.02946	0.5
89.02442	0.4
93.03477	1.3
95.05032	1.2
101.02438	0.6
107.05019	0.3
109.06643	0.4
115.80454	0.3
120.02213	0.4
121.02966	19.5
122.03232	0.4
123.04470	0.4
125.06105	0.8
125.09773	0.3
133.02939	0.4
135.04514	1.4
135.08150	0.9
136.01653	0.5
137.06085	1.0
142.41130	0.3
143.71416	0.3
147.11847	0.4
149.02464	1.2
163.11301	6.1
165.02104	0.3
165.05573	0.4
165.12866	4.3
171.50282	0.3
177.01936	0.9
179.03493	0.7
181.12349	0.7
191.10817	1.4
194.02240	0.5
194.05846	0.7
209.04572	4.7
209.11832	100.0
210.12181	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
52.42911	0.8
57.03436	2.7
57.32459	0.7
59.01103	1.2
59.01380	14.8
60.57575	0.9
69.03117	1.3
69.03454	16.9
69.22929	6.9
71.01381	1.9
71.05012	2.9
80.02666	1.5
80.62458	0.7
81.03448	1.3
83.05010	2.3
85.02949	1.4
89.02446	1.8
93.03463	4.9
95.05032	2.3
96.17345	0.7
97.02893	0.9
97.06608	1.0
101.02420	0.8
103.05564	0.8
107.05033	1.2
109.02924	1.1
109.06555	1.4
111.04539	0.9
111.08157	4.3
119.04970	1.1
120.02139	1.0
121.02953	52.9
121.10210	1.1
122.03287	1.0
123.04482	1.0
124.03986	1.0
127.07659	1.4
130.48087	0.8
135.04541	4.8
135.08177	2.0
136.01619	1.0
137.02440	0.9
137.06075	3.7
147.04527	0.9
147.11819	1.3
149.02397	2.2
153.09178	4.3
161.02463	0.8
163.11278	2.0
164.98303	1.3
165.01926	1.7
165.05591	1.4
165.09167	2.7
165.12849	14.9
173.09665	1.2
179.03502	2.3
181.04977	1.3
181.12328	18.3
181.13922	1.0
191.10764	21.2
191.12427	1.6
194.05850	1.7
209.01093	1.5
209.04584	18.9
209.08310	2.7
209.11816	100.0
210.12119	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	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
59.01376	2.4
61.98811	0.4
67.60654	0.4
69.05048	0.3
70.40818	1.3
71.01387	0.6
83.01366	0.5
92.99815	0.4
93.03455	0.8
94.02937	0.4
95.04996	0.4
96.96024	0.6
109.02930	0.4
118.94182	0.5
120.50562	0.3
121.02957	20.6
123.04458	0.3
125.09711	0.3
135.04527	1.3
137.06096	0.6
149.02481	0.4
164.94119	0.8
165.12816	0.5
179.03505	1.0
181.12410	0.3
199.49901	0.4
209.04561	4.7
209.11818	100.0
210.12154	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
55.01882	2.5
57.03452	1.6
59.01368	1.0
61.98844	0.4
68.99821	0.3
69.03442	0.7
71.01353	0.5
71.05018	0.7
73.89342	0.3
74.97062	0.3
80.02672	0.7
81.03455	3.5
83.01390	23.8
83.05034	3.8
84.02174	0.8
87.08559	0.3
93.03468	0.7
95.05026	1.2
97.02934	0.4
97.06604	3.6
99.00911	0.3
99.04559	0.4
109.06580	0.5
110.03736	0.3
111.08165	0.5
120.02153	0.3
120.54454	0.3
121.02966	10.1
123.04635	0.3
123.08176	2.1
125.09729	20.1
126.10077	0.4
135.04510	0.9
135.08168	2.2
137.06059	0.6
147.11786	0.7
148.31985	0.3
161.09679	0.4
163.11296	9.9
165.12842	3.2
167.10701	0.3
173.09698	0.4
178.94188	0.3
181.12311	1.6
191.10780	7.1
193.93863	0.3
194.05846	0.4
209.04584	2.9
209.11829	100.0
210.12196	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	209.1183
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
55.01875	0.9
57.03451	4.1
58.00606	0.7
59.01377	2.9
61.98822	0.8
65.42984	0.6
68.79023	0.6
69.03461	2.0
69.37849	5.1
69.42664	0.6
71.01385	17.7
71.05025	1.7
73.02952	1.7
80.02679	1.6
81.03458	2.6
83.01388	5.8
83.05030	4.1
84.02161	1.8
85.02946	0.8
93.03471	2.2
95.01380	0.8
95.05018	3.5
97.02940	0.9
97.06609	4.4
105.80398	0.6
106.04230	0.8
107.05022	1.2
108.02168	1.1
109.06626	0.7
111.08173	1.3
118.94229	1.1
121.02962	31.2
123.08189	2.0
125.09732	11.7
133.82364	0.7
134.03726	0.8
135.04530	1.9
135.08185	2.5
137.02406	0.9
137.06082	1.0
144.00574	0.8
145.10245	1.7
147.11786	1.9
149.02368	0.9
149.09735	1.2
151.11288	24.5
153.12866	3.8
157.50609	0.7
161.09747	1.1
163.11290	8.5
165.12852	17.0
167.10744	1.2
173.09740	2.3
179.10780	4.2
181.12347	42.9
182.12744	1.4
191.10791	16.2
209.04572	7.4
209.11835	100.0
210.12091	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	207.1026
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.26527	0.6
56.53853	0.8
56.74977	0.7
57.03445	1.5
59.01379	38.3
67.05528	1.2
69.20548	4.1
69.20963	2.6
71.01387	2.0
75.00872	1.0
80.02686	4.4
81.03456	7.7
83.05028	9.4
85.02962	2.3
91.01927	0.7
93.03454	2.6
95.05039	1.2
97.02993	3.7
98.19881	1.6
99.00890	1.3
106.04308	1.2
107.05017	2.7
109.06593	100.0
110.03726	0.7
110.06954	1.0
119.01386	0.8
121.06605	7.0
123.04520	0.9
127.73703	0.8
129.01941	2.8
133.02966	0.8
133.06639	1.2
135.00900	0.9
135.08177	10.5
136.05310	1.2
142.02716	1.2
147.03043	2.5
149.02441	1.8
161.09700	4.3
163.04012	0.9
163.11285	35.5
177.01929	10.1
179.10777	1.0
189.09254	1.8
192.04272	10.9
207.02983	2.1
207.06718	3.9
207.10271	48.1
208.10541	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0453
Annotation	5-Hydroxyferulic acid methyl ester
Peak:m/z	Relative Intensity
55.01871	1.1
58.73723	0.9
59.01395	2.5
59.33672	1.0
65.03976	2.0
67.01892	1.9
68.99813	25.7
69.03461	2.5
69.58808	6.7
71.01376	7.2
71.64404	0.9
75.00842	1.2
77.03976	1.6
79.01876	1.3
81.03461	4.4
84.00390	0.9
85.02959	3.2
91.49728	0.9
93.03454	38.9
95.01386	1.3
95.05036	7.2
97.02962	5.4
99.00887	4.4
101.02440	65.2
105.03473	6.0
107.01371	1.7
107.05032	6.4
108.02166	2.4
109.02965	7.1
109.06591	2.5
111.00889	1.6
119.01392	4.1
119.05015	5.7
121.02954	85.6
121.06544	1.3
122.03833	1.3
123.00929	1.5
123.04538	13.0
125.02415	5.2
125.06085	3.3
133.02946	11.6
135.04514	12.2
136.01666	3.2
137.02441	12.1
137.06081	6.1
138.03249	1.9
139.04030	7.1
145.02895	1.5
147.00871	12.8
147.04532	6.8
148.01653	4.5
149.02435	80.1
150.03152	4.5
151.03990	15.7
153.05551	10.4
161.02451	1.8
163.04005	10.9
165.01923	5.8
165.05579	9.5
166.02718	4.6
167.03445	6.6
175.00307	2.7
176.01180	1.3
177.01926	51.4
179.03500	13.6
180.04179	2.4
181.05075	30.1
191.03467	9.2
194.02290	1.5
207.02974	25.0
209.04549	100.0
209.11897	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0506
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
59.01377	2.7
65.00327	1.0
67.16029	0.4
68.52106	0.4
68.99822	21.7
69.28076	3.6
71.01373	0.8
73.19182	0.4
85.02959	0.6
88.08459	0.4
89.03978	4.1
98.20655	0.9
99.00890	6.8
101.03963	5.1
115.00367	1.0
117.03474	15.3
119.05035	26.9
129.03502	0.8
131.04993	0.6
133.06586	0.5
134.03647	0.8
145.02960	100.0
146.03438	1.3
147.04491	2.6
161.02477	1.2
161.06116	0.9
162.03238	3.3
162.28090	0.4
173.02464	2.6
175.03964	0.6
177.05565	6.2
189.01950	0.6
190.02704	1.3
191.03488	1.3
205.05063	67.9
205.15967	2.6
206.05417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0505
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
59.01365	0.9
60.98811	0.4
65.00315	0.6
66.01730	0.4
68.99815	20.9
72.05688	0.4
89.03978	4.2
99.00877	6.3
99.01453	0.6
100.46712	0.4
101.03969	6.4
105.07193	0.4
114.97272	0.5
117.03471	15.0
119.05026	27.6
120.05400	0.6
129.03467	0.8
134.03754	0.9
145.02951	100.0
146.03278	2.4
147.04517	3.2
161.02458	0.9
162.03191	3.2
173.02419	2.4
175.03940	0.7
177.05579	6.2
190.02698	1.5
191.03522	1.2
205.05046	66.6
206.05397	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1598
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
51.15899	0.1
51.44398	0.1
56.56136	0.1
59.01380	1.2
61.98816	0.2
68.99805	0.2
71.01389	0.3
71.55733	0.2
83.82523	0.1
85.02946	0.3
87.00897	0.3
114.11921	0.2
115.00375	0.3
119.05007	0.2
133.02834	0.2
145.02960	0.3
149.09694	0.1
161.02467	0.3
161.06104	0.3
162.89363	0.4
189.12860	1.7
205.01469	0.4
205.05104	0.6
205.15974	100.0
206.16296	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0823
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
55.42390	0.5
57.76216	0.6
58.02976	31.3
59.01384	2.6
60.65040	0.6
70.02985	12.6
71.01382	0.6
71.55816	0.8
72.00909	5.7
90.73425	0.5
91.05537	10.3
93.03471	0.7
100.75011	0.7
105.24635	0.6
115.79442	0.7
135.04529	0.6
146.03389	0.8
147.04527	36.0
152.03322	0.6
162.09311	1.4
163.00224	0.9
164.07169	100.0
165.07549	0.7
177.01924	1.5
190.99847	1.7
192.04321	1.2
206.08228	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48201	2.1
55.01873	4.1
57.03456	4.8
59.01380	79.0
61.98830	100.0
66.02331	1.9
68.42715	2.0
70.73857	5.5
71.01383	11.5
72.99300	3.4
75.00873	9.5
78.91915	3.4
80.91669	2.3
85.02961	4.8
94.31525	1.9
95.04991	2.6
96.96005	4.8
99.00890	5.6
101.02445	2.8
103.01936	2.8
103.92001	1.9
107.05029	3.2
107.29041	2.1
108.27891	1.9
114.60606	2.3
117.01939	2.2
117.64696	2.0
119.01408	1.8
121.02947	4.6
122.02524	2.1
123.04469	2.6
129.01955	18.9
135.04507	5.2
136.01651	2.6
145.31487	2.0
147.00891	7.2
147.02995	16.2
147.04079	2.0
147.04503	1.9
148.93112	2.5
149.02451	12.1
150.94841	2.6
163.04008	6.3
163.07681	2.4
170.88339	29.9
175.00388	6.0
177.01926	50.6
179.03510	4.0
188.89525	2.3
192.00594	5.0
192.04283	66.7
206.78912	4.7
206.97438	8.1
207.02985	14.8
207.06631	27.8
207.10295	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	205.0505
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
54.41561	0.4
59.01379	2.6
65.00320	0.8
68.99817	21.4
69.40438	3.0
71.01383	1.1
72.99271	0.6
75.00891	0.4
85.02930	0.5
87.02611	0.4
89.03970	3.9
91.36007	0.4
93.03509	0.4
99.00877	7.2
101.03976	5.5
115.00414	0.8
117.03470	14.5
119.05025	32.2
120.05312	0.5
129.03447	0.8
134.03764	0.5
140.49805	0.5
145.02954	100.0
146.03340	2.1
147.04482	2.9
161.02434	1.3
162.03188	3.1
163.03996	0.6
173.02423	3.2
175.03990	1.1
177.05568	6.6
190.02690	1.7
191.03479	1.7
205.05054	64.4
205.15962	2.3
206.05356	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.8
57.03451	6.3
58.02956	3.3
59.01385	82.8
67.01911	7.5
68.99817	12.0
69.63825	18.6
71.01387	74.4
72.98933	4.9
72.99314	56.0
73.02950	21.6
75.00881	33.0
78.46332	2.8
81.03468	8.0
83.01382	11.1
85.02962	9.5
87.00876	66.2
88.98788	3.2
89.02469	8.3
95.48664	3.3
96.99340	5.1
98.20622	4.9
99.00894	39.2
99.04534	4.4
101.02441	12.9
103.00375	8.0
103.21860	3.0
111.00887	100.0
112.98825	24.6
115.00381	94.8
117.01950	17.0
119.07384	3.7
124.98801	11.6
125.02464	42.6
127.00349	10.6
129.01935	17.1
142.99860	19.8
143.03473	7.1
145.01392	25.1
154.99921	17.5
159.08475	3.3
163.06181	3.6
173.00870	10.6
175.02548	6.7
205.03531	23.1
205.07230	3.0
205.09085	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55704	3.0
55.01888	8.6
56.09010	2.9
57.03443	13.1
59.01379	100.0
60.99315	4.7
61.98814	10.2
67.01874	5.7
68.99824	12.9
70.81770	6.4
70.82094	4.5
71.01004	5.6
71.01383	89.8
72.99307	55.5
73.02945	19.7
75.00871	42.7
81.03455	5.8
83.01385	21.7
85.02964	20.8
87.00876	42.2
89.02423	11.9
96.99329	6.6
99.00881	58.6
99.04512	4.0
100.98811	5.4
101.02429	16.3
103.00362	4.6
111.00882	43.3
112.98804	55.6
115.00374	91.2
117.01939	13.8
124.43877	3.4
124.98807	10.2
125.02460	36.4
127.00343	10.6
129.01949	26.9
129.51527	3.3
133.01387	7.9
133.06519	3.7
142.99898	20.7
143.03461	5.0
145.01436	20.9
145.02945	9.0
153.09616	3.3
154.99817	10.8
173.00958	7.2
175.02478	6.4
190.02751	4.5
205.03458	14.0
205.05112	10.9
205.07024	6.4
205.08951	7.1
205.15910	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	204.0875
Annotation	N-Acetyl-D-fucosamine
Peak:m/z	Relative Intensity
54.44938	0.6
55.01849	0.7
57.03440	3.0
58.02974	24.5
59.01375	8.9
67.01864	1.2
69.03468	3.5
70.02919	0.9
71.01379	10.3
71.05012	1.4
71.54151	1.2
72.04554	1.7
72.99315	6.6
73.02941	2.5
74.02460	2.3
75.00871	3.0
81.03442	1.9
83.01378	1.6
83.05047	0.8
84.04533	3.4
85.02946	11.4
87.00873	8.0
88.04041	2.7
95.33290	0.7
96.99324	0.7
97.02946	1.1
98.02495	1.0
98.03237	0.9
98.06111	6.0
99.00899	3.4
99.04483	0.9
100.04047	13.2
100.07681	1.5
101.02454	2.0
102.05602	1.2
108.04562	2.6
110.06129	1.4
110.55116	0.6
111.00886	11.8
112.98831	1.6
114.05587	5.9
114.09253	2.4
115.00375	8.3
115.01160	1.0
116.01743	1.3
116.07185	13.3
117.01941	1.1
124.07666	3.8
124.98820	1.3
125.02441	7.1
127.00422	0.8
128.03465	0.9
128.07164	2.4
129.01944	2.1
130.04997	0.8
131.03468	0.8
132.06664	2.1
138.05579	3.3
140.07184	17.0
142.02177	0.7
142.08752	1.5
142.99872	1.5
143.03510	1.8
144.03059	0.8
144.06683	1.7
145.01500	1.6
146.04587	2.5
154.99892	0.9
158.08223	35.6
162.07716	3.2
168.06648	3.0
173.00961	1.2
175.02449	0.9
184.06113	1.1
186.07724	18.5
187.02396	1.0
202.07254	1.7
204.02318	2.5
204.08755	100.0
205.03484	3.0
205.07080	0.8
205.09013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03444	2.0
58.00567	0.8
59.01378	19.4
67.01881	6.8
68.99806	2.2
69.03442	0.8
70.94460	1.5
71.01381	12.3
71.05021	0.7
71.55540	0.7
72.75515	0.9
72.99308	9.1
73.02941	4.7
75.00868	4.1
80.47778	0.7
81.03445	1.9
83.01380	2.4
83.05038	1.2
85.02959	4.0
87.00873	45.9
89.02441	0.9
99.00883	7.7
99.04521	2.5
101.02465	1.9
103.00367	0.9
111.00879	100.0
112.98782	1.7
113.02489	0.6
115.00372	13.3
115.04000	1.3
117.01936	2.6
119.04969	1.0
124.98799	1.6
125.02439	7.6
127.00352	1.2
127.04047	0.7
129.01942	2.4
129.52173	0.7
130.99861	1.2
131.04991	0.8
133.06607	2.3
142.99843	2.7
143.03482	10.6
143.07135	1.1
145.01401	2.3
145.02942	2.4
145.05064	2.5
154.99866	1.8
161.02466	1.3
161.06044	1.7
163.06134	1.0
173.00868	3.3
175.02521	1.7
187.02457	1.1
187.06070	0.7
190.02750	1.5
205.01903	0.9
205.03445	4.2
205.05093	3.5
205.07196	1.9
205.08923	1.4
205.12370	1.0
205.15977	3.0
218.40170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1288
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
53.85609	0.5
57.03450	3.2
59.01381	8.8
60.70684	0.4
64.94909	0.4
69.03447	1.7
69.47352	2.3
69.47761	0.9
71.01395	2.1
71.05039	2.3
72.99307	2.3
73.02947	2.0
79.37407	0.4
83.05048	0.5
85.02948	0.8
86.91515	0.4
87.04517	1.0
91.05560	0.5
97.02953	2.1
97.06596	1.4
98.19870	0.5
99.08162	0.7
100.50651	0.5
103.92046	1.0
104.97746	0.7
109.06539	0.9
111.08157	1.1
113.02493	0.8
113.06067	0.5
113.09730	3.0
115.07627	0.5
116.05075	1.3
117.03421	0.5
123.08150	0.9
125.02471	0.6
127.07668	1.0
127.11299	3.9
128.05063	0.7
130.06645	1.2
130.94377	0.5
131.05045	1.2
137.09698	0.9
139.11298	1.8
141.09215	1.8
142.06612	1.5
155.10777	7.0
157.12340	37.0
158.06128	3.7
158.12628	0.8
159.04457	1.0
172.04027	0.7
173.11827	0.5
173.20580	0.4
174.03265	0.8
175.04010	1.0
185.11830	0.9
186.05594	1.5
201.11319	1.1
203.01926	2.0
203.03658	2.6
203.07204	1.7
203.12885	100.0
204.06705	5.7
204.13232	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78526	0.1
59.01062	0.2
59.01382	14.4
60.01719	6.0
61.01810	1.5
61.98833	100.0
62.02150	0.2
65.33847	0.1
70.86420	0.3
71.01418	0.2
79.60794	0.1
109.69880	0.1
123.84225	0.1
143.86566	0.6
159.03352	0.2
160.03677	0.8
161.01286	0.2
161.87614	0.3
162.01736	0.4
203.99991	1.1
204.02681	2.9
205.05231	0.1
205.16020	0.3
208.19046	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	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03450	1.1
59.01376	3.3
62.07602	0.7
63.57326	0.8
69.03452	3.3
71.05039	0.9
71.56340	1.4
78.27370	0.8
80.55972	0.8
87.04567	1.1
107.08715	1.1
111.08150	0.9
125.09726	2.7
127.11309	3.0
137.09734	3.2
139.11314	1.7
142.03006	1.9
144.48349	0.7
146.02457	3.3
149.84552	0.9
155.10789	5.1
165.09279	1.1
167.72511	0.8
171.10286	3.3
173.05980	1.2
183.10265	59.9
199.09766	1.1
201.01982	1.2
201.05586	3.1
201.11327	100.0
202.05057	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	203.0196
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
55.01879	1.0
56.27245	0.9
57.03438	3.2
59.01105	1.5
59.01378	18.9
60.99318	1.2
64.34341	0.9
67.01881	1.2
68.67673	0.7
69.03456	55.9
69.85410	3.7
71.01380	39.4
71.05019	0.9
72.99319	6.8
74.02480	1.3
75.00871	3.5
78.84648	1.0
79.01468	1.4
79.01897	14.8
81.03445	1.2
83.01405	1.9
85.02946	8.7
85.06579	1.6
87.00867	12.5
88.04058	2.0
94.45049	1.0
95.01405	5.7
97.02950	81.7
97.06593	2.6
98.03359	1.1
98.19918	1.0
99.00878	1.9
101.02449	1.0
103.92006	1.6
111.00869	3.3
113.02449	7.0
115.00369	9.1
115.04003	1.6
115.07660	6.1
123.00880	4.8
125.02448	2.1
129.01941	5.0
141.01965	16.6
141.05580	6.8
143.07147	12.8
159.02939	2.0
161.08199	23.6
184.97745	1.0
185.04507	6.4
203.01965	100.0
203.05621	3.1
204.02206	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10867	0.3
58.29706	0.3
70.37956	0.8
71.01380	100.0
72.01678	0.4
83.05048	0.5
85.02930	0.3
89.63105	0.4
107.05025	0.7
109.02972	0.4
109.12681	0.3
111.04522	3.0
125.06037	0.4
135.04532	0.9
153.04318	0.6
153.05573	13.4
179.07127	3.0
197.08192	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01371	0.8
69.03442	1.3
71.01381	10.1
71.54044	0.5
81.03478	0.3
83.05027	1.0
84.80395	0.3
85.27842	0.3
90.22498	0.3
107.82078	0.3
111.04485	0.4
119.91151	0.3
123.00898	0.9
123.08162	0.5
125.09748	0.5
126.90514	0.6
138.03113	0.4
141.09207	0.9
151.11287	0.6
153.01889	0.5
153.05533	1.8
153.09229	2.0
153.12840	3.3
162.83902	1.2
166.99832	1.1
169.12332	16.4
178.99777	0.3
179.07191	0.3
179.10793	1.2
182.02260	1.9
196.00394	0.3
197.04590	1.1
197.11821	100.0
197.80753	0.5
198.12189	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
57.03436	1.3
59.01368	2.1
65.00301	0.5
67.01896	1.2
68.49351	0.5
69.03461	0.8
71.01382	1.6
71.05013	2.0
71.23505	0.5
71.54868	0.7
73.02946	1.8
83.01376	1.8
83.05056	1.2
85.02947	1.6
90.43649	0.5
92.99825	1.0
95.04991	0.8
95.21284	0.5
99.00891	2.9
99.04491	1.1
99.08152	1.1
101.02414	0.6
107.74800	0.5
109.02927	0.5
111.00887	2.2
111.04561	0.6
111.08223	0.5
113.02437	5.1
117.20674	0.5
123.04519	0.5
125.02369	0.7
127.00395	1.5
127.03997	2.2
136.98839	0.6
137.06044	0.8
137.09712	1.1
139.04005	0.6
144.56390	0.5
155.10783	4.9
163.11330	0.9
169.12349	6.2
181.01477	0.6
181.12350	17.7
181.13963	0.9
197.11844	1.9
198.98860	0.6
199.06108	1.4
199.09789	3.8
199.13394	100.0
199.16985	2.9
200.13754	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.64915	0.3
55.14028	0.4
56.47313	0.4
57.03443	0.8
57.15514	0.3
58.00595	0.7
59.01377	1.9
69.03453	1.1
70.10773	1.2
71.05018	0.6
72.99313	12.7
73.02953	0.5
80.39207	0.4
83.05017	1.0
83.48666	0.4
85.06558	0.4
95.05068	0.4
97.06610	0.5
107.04990	0.4
107.08679	1.2
111.04449	0.3
121.10254	0.5
123.08253	0.4
125.06053	0.5
125.09734	4.6
127.11302	6.3
135.08098	0.4
137.09723	1.6
139.11324	1.9
153.09108	0.5
155.10793	6.1
157.12279	0.5
161.52597	0.3
165.09221	2.0
171.10320	2.2
183.10271	17.5
184.10681	0.4
199.09750	2.2
201.11334	100.0
202.05119	0.6
202.11656	1.1
220.09435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0203
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
53.00294	0.3
59.01368	0.5
59.20486	0.3
61.98800	0.5
64.01936	0.6
65.00346	0.3
65.03988	1.5
65.99861	0.5
69.03464	0.4
71.01383	33.7
71.05031	0.6
71.55043	0.3
80.96493	0.4
81.03465	1.0
82.59669	0.3
83.05006	0.5
85.02961	0.3
88.01859	0.3
93.03462	1.2
95.01386	0.8
95.93477	0.4
97.02924	0.6
100.00751	0.3
107.05051	0.4
109.02218	0.7
109.02954	11.5
111.04515	1.7
116.92847	0.5
121.02947	1.6
123.00867	3.1
123.04477	0.5
125.02477	0.6
126.90500	1.2
135.04561	0.5
137.02451	19.6
138.01955	1.0
138.03169	0.8
139.02867	0.4
139.04037	0.4
140.03568	2.4
150.01973	3.0
153.01941	0.8
153.05591	4.4
153.09273	1.9
153.12910	0.6
160.84216	4.1
161.84258	0.6
162.83922	13.1
166.01497	0.7
167.00008	2.0
167.02235	8.6
169.12357	0.9
178.99881	0.6
179.07098	0.8
180.01764	14.5
182.02199	4.7
182.05782	0.5
197.02037	100.0
197.08102	4.6
197.11809	5.7
197.80812	8.3
198.02333	1.3
198.12247	0.4
199.01178	0.5
212.00731	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	197.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49562	0.4
68.99847	0.4
69.39784	1.7
69.40205	1.8
71.01385	100.0
72.01735	0.6
83.05017	0.6
91.19887	0.5
93.03530	0.5
96.98578	0.5
104.50285	0.4
107.05045	1.0
109.02914	0.7
110.03712	0.4
111.04510	4.1
125.06122	1.0
135.04553	0.8
153.05586	13.6
161.40672	0.5
179.07222	2.0
193.05612	0.4
195.59607	0.4
197.08189	16.5
201.44505	0.5
213.81891	0.4
213.96364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0508
Annotation	L-Galactonate
Peak:m/z	Relative Intensity
51.38434	1.1
57.03438	4.8
58.00581	1.9
59.01379	31.2
69.75345	5.5
71.01382	15.5
72.99305	9.1
73.02970	1.2
75.00871	50.9
78.95892	1.3
80.96523	2.3
83.01379	3.7
84.81593	1.1
85.02950	7.3
87.00877	81.4
89.00633	1.1
89.02440	14.2
94.89041	1.1
96.96006	1.2
96.96951	2.8
99.00867	9.4
101.02440	4.5
105.01933	97.0
107.01723	4.9
111.00898	6.9
112.62588	1.2
124.01701	1.1
129.01939	50.8
141.01918	1.8
147.02997	36.0
150.30341	1.2
159.02950	3.5
160.14641	1.0
163.09830	1.1
165.04013	3.2
177.04042	35.0
195.05078	100.0
196.05453	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Batatic acid
Peak:m/z	Relative Intensity
50.35553	0.5
53.00313	0.7
57.54107	0.6
59.01378	5.8
67.01884	0.8
68.99828	1.1
69.03459	6.0
69.35520	3.8
69.35919	0.6
71.01383	100.0
71.62397	0.5
72.01716	0.6
78.39763	0.5
79.50361	0.5
81.03471	1.0
83.05022	0.6
95.05031	0.7
97.02953	49.8
103.10519	0.5
105.01939	0.6
107.05025	0.8
109.02956	4.6
111.04470	1.2
119.05040	0.6
121.06615	1.5
123.04540	2.7
134.03711	0.5
135.04536	0.8
135.06595	0.6
149.06088	2.2
150.03145	0.6
151.03996	3.3
152.04834	2.8
177.05571	5.0
180.04288	0.6
195.04918	0.4
195.06615	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	191.0351
Annotation	Pisonin F
Peak:m/z	Relative Intensity
51.57320	0.3
52.66966	0.3
54.23979	0.3
54.48742	0.3
56.32778	0.3
57.03440	1.0
59.01106	0.6
59.01383	9.4
68.22519	0.3
70.40829	0.7
70.41232	0.6
71.01399	1.6
72.99316	0.4
73.02943	1.2
83.01409	0.4
85.02956	9.4
87.00882	6.8
89.02433	0.5
93.03460	1.8
99.00909	0.5
101.02471	0.8
109.02969	0.4
111.00892	10.2
111.04521	0.5
113.02449	0.5
119.05054	1.1
121.02963	100.0
122.03299	0.8
127.04035	1.0
129.01938	0.7
131.02643	0.3
131.03494	1.5
135.04567	0.4
140.68275	0.3
147.04532	7.1
147.59483	0.3
148.01646	0.5
163.04030	1.0
176.01123	1.6
191.01981	1.1
191.03546	10.1
191.05634	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
50.51216	0.3
56.36915	0.3
57.03424	0.5
59.01374	1.7
66.62356	0.3
67.01891	0.8
67.19325	0.3
69.03441	0.5
70.98453	0.7
70.98783	0.4
71.01373	0.9
73.02932	0.4
75.77277	0.3
81.03460	0.6
83.05010	0.5
85.02950	13.9
86.38400	0.4
87.00874	5.0
89.41371	0.3
93.03463	4.3
99.04511	0.5
100.58979	0.3
109.02953	1.1
111.00881	6.7
111.04517	1.7
127.04021	3.0
129.01913	0.6
133.01408	0.4
171.03065	0.6
173.04587	1.1
191.05617	100.0
192.05957	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Methyl caffeate
Peak:m/z	Relative Intensity
55.03121	0.4
59.01379	3.3
65.76096	0.4
69.03468	0.7
69.28856	3.2
71.01382	3.5
72.99313	0.6
73.02959	1.9
77.03967	3.2
85.02944	2.8
87.00897	1.7
93.03455	1.6
95.01431	0.6
95.05030	8.8
97.02952	1.0
99.00895	1.1
101.02444	3.7
102.95927	0.4
105.03450	5.5
106.04263	1.2
107.05025	1.7
108.02229	0.8
109.02944	0.5
110.85929	0.5
111.00907	0.5
113.02470	1.5
117.03493	0.8
119.05019	1.5
121.02985	2.4
121.06597	0.7
123.04528	100.0
124.04857	1.5
125.02441	0.7
133.02962	77.6
134.03761	18.9
137.02425	1.6
137.06097	1.0
139.04007	0.9
141.01909	0.6
149.02446	6.4
149.06078	2.3
149.09732	0.5
150.03148	1.0
161.02449	39.8
161.04402	3.5
162.02768	0.7
164.04816	4.8
165.05537	2.9
178.02724	5.3
193.05029	16.1
193.07127	2.5
203.28757	0.5
214.00638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26444	0.2
57.03448	3.4
59.01377	3.6
67.01889	2.5
69.03457	0.6
69.19230	0.2
70.48619	0.5
70.49014	0.4
71.01376	2.1
72.99309	0.4
73.02946	1.1
81.03456	0.4
81.19177	0.2
81.21067	0.2
83.01407	0.2
83.05037	1.1
85.02951	38.1
86.03294	0.3
87.00876	30.5
89.01778	0.3
93.03461	6.9
93.04419	0.3
98.20589	0.3
99.00889	0.3
99.04520	0.9
101.02433	0.6
103.04031	0.3
109.02960	1.9
111.00881	54.1
111.04501	2.3
112.01201	0.6
125.02364	0.3
127.04018	4.4
129.01941	3.4
130.99864	0.5
137.02435	0.4
147.03003	0.3
153.01880	0.3
154.99872	0.2
155.03540	0.4
171.02960	1.4
171.77879	0.2
173.00900	0.9
173.04567	2.0
191.02045	6.3
191.05606	100.0
192.05981	1.4
201.78810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	trans-o-Hydroxybenzylidenepyruvate
Peak:m/z	Relative Intensity
57.03440	1.2
59.01379	9.7
65.31277	0.6
67.01874	1.3
68.99816	2.6
69.03445	1.1
69.30176	5.4
71.01391	3.2
73.02940	1.9
81.03450	0.8
81.65074	0.7
83.05041	1.6
85.02953	23.7
87.00884	9.0
89.02456	0.7
89.03960	1.6
93.03462	6.1
99.00893	1.3
101.02434	1.3
101.03976	4.5
105.03463	0.8
107.05022	1.0
109.02961	1.8
111.00883	13.7
111.04543	2.0
117.03465	14.9
119.05019	13.4
121.02984	0.7
127.04036	3.8
129.01944	1.1
131.03519	1.0
133.02870	1.1
135.04555	3.6
145.02957	65.0
146.03270	0.8
147.04526	3.5
148.01666	1.1
161.02380	1.2
163.00282	1.1
163.04012	13.4
171.02982	1.0
173.02440	30.8
173.04692	1.5
176.01120	1.8
189.01982	3.2
191.03491	100.0
191.05586	89.1
192.03891	1.2
192.06145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03201	0.7
57.03450	3.5
59.01378	76.3
67.05556	0.5
68.60764	0.5
69.25716	1.7
69.26136	3.8
71.01405	0.9
78.24159	0.6
83.04981	0.7
97.06582	12.6
98.20759	1.0
99.08156	26.5
104.79620	0.7
123.08189	5.3
125.09722	100.0
126.10072	1.6
127.07646	11.6
136.50032	0.6
143.07126	0.7
143.10770	2.4
145.08705	99.5
146.09004	1.5
148.68347	0.5
168.88742	0.7
169.08722	2.2
187.07843	1.9
187.09744	50.4
188.10039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23746	0.3
57.03448	3.9
59.01380	3.1
67.01892	2.7
69.03452	0.7
70.57588	0.5
70.57961	0.5
71.01373	1.8
73.02953	0.6
81.03445	1.1
83.01371	0.4
83.05027	1.0
85.02950	35.2
87.00876	28.2
87.05688	0.2
93.03459	8.1
99.00884	0.4
99.04530	1.1
101.02433	0.6
109.02954	2.3
109.08128	0.3
111.00882	52.7
111.04536	2.1
112.01231	0.5
127.04013	4.9
129.01935	3.6
130.99887	0.5
147.02940	0.5
154.99860	0.3
155.03438	0.3
157.20668	0.3
161.07767	0.3
168.39659	0.3
171.02986	1.1
173.00908	1.0
173.04565	1.8
191.02014	8.7
191.05609	100.0
192.05954	1.8
197.23103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0719
Annotation	Dulcitol
Peak:m/z	Relative Intensity
54.14164	1.0
55.01881	5.6
57.03445	3.5
58.00593	3.2
59.01384	80.4
69.03445	1.6
70.58356	3.1
70.58772	0.9
71.01389	98.5
72.99306	2.4
73.02961	18.2
78.98567	1.7
83.01390	8.3
85.02961	22.8
87.00873	4.8
89.02452	79.6
91.13390	1.1
95.01424	1.1
97.02968	5.6
101.02452	95.4
103.04034	1.3
112.75974	1.0
113.02472	11.4
115.04025	3.7
119.03526	14.9
131.03506	7.7
143.03458	1.5
149.04550	4.1
163.06126	19.3
174.71535	1.0
178.66319	1.2
179.05559	1.7
181.07191	100.0
182.07507	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.9
57.03438	3.0
58.00584	2.2
59.01379	58.1
69.03441	2.3
70.28487	1.3
70.28834	2.7
71.01382	73.9
72.99295	1.9
73.02949	12.3
74.29913	1.0
75.99641	0.9
83.01385	9.0
83.85679	1.0
85.02959	15.0
85.43192	1.1
87.00873	2.5
89.02444	59.1
93.03466	1.2
95.01366	1.3
97.02957	3.0
100.62529	1.0
101.02445	67.3
103.04074	1.2
113.02479	8.1
115.04018	2.7
119.03491	11.4
131.03523	5.6
143.03548	1.0
149.04559	3.8
161.04518	1.4
163.06117	19.1
181.07184	100.0
182.07556	1.8
183.39595	1.0
198.57964	0.9
202.94119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	6.5
59.01384	47.7
60.24606	5.9
62.75597	5.7
68.99836	8.2
69.03450	9.4
70.68575	16.7
71.01377	26.9
72.99296	10.2
73.02950	15.0
75.00870	12.9
85.02949	11.9
85.06611	6.3
87.00870	23.2
100.98817	95.1
111.04479	6.4
115.00364	24.1
115.03985	9.5
117.01936	15.0
124.98797	8.7
127.97527	100.0
130.99860	10.9
131.03484	9.7
133.05035	7.3
142.99854	18.2
148.98679	36.7
161.83151	5.6
174.82797	16.6
174.96544	7.2
175.02405	16.6
175.03885	10.1
175.06215	30.8
175.07494	7.6
184.16872	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	175.0975
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
59.01381	5.6
66.84722	0.8
68.99815	2.0
69.03455	1.6
71.01380	4.3
71.56398	1.2
73.02944	0.8
78.75092	0.7
85.02955	19.8
85.06592	15.5
87.00889	3.5
95.05028	1.6
101.06079	20.6
113.06092	45.1
115.00396	1.6
115.04011	2.6
129.05591	37.3
129.09227	4.8
131.03499	1.6
131.05017	1.1
131.07146	25.4
147.04469	1.5
157.01495	1.3
174.88943	3.0
175.02635	1.1
175.03966	4.8
175.06171	2.8
175.09764	100.0
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
59.01383	0.7
69.44082	0.2
70.39167	0.8
71.01399	0.4
72.14158	0.2
87.00872	0.3
95.95198	0.3
96.77007	0.2
96.96002	0.3
119.93758	0.8
125.16364	0.3
134.96088	55.8
135.96126	1.8
136.94006	100.0
137.94067	3.1
137.97871	0.2
151.92714	16.1
152.92798	0.5
161.04504	0.3
178.95055	76.9
179.95149	2.8
196.96082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0818
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
52.23518	0.3
57.03447	0.7
59.01380	100.0
60.01754	0.6
60.99330	0.5
66.14378	0.4
67.01897	5.8
69.03472	2.2
69.38293	3.0
70.71671	0.4
71.01389	1.9
72.99343	0.4
73.02965	0.7
81.03443	0.5
83.05051	1.4
85.02950	1.3
85.06590	19.1
87.00884	0.5
87.04514	0.6
93.03461	21.0
99.00872	0.9
111.00877	1.3
111.04541	3.3
111.08162	5.7
113.06091	22.6
113.28998	0.4
122.39896	0.4
123.00991	0.4
125.02466	0.5
131.07140	98.4
132.07510	1.1
145.02959	0.7
157.61310	0.4
159.20064	0.4
173.04547	4.6
173.08159	3.7
173.11754	0.8
185.31987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00305	1.9
55.01875	6.6
57.03442	4.1
59.01381	8.1
67.01900	6.1
68.99823	3.8
71.01383	100.0
71.28785	1.3
72.99311	7.1
73.02937	9.7
75.59022	1.0
78.94801	0.9
80.99816	1.5
81.65419	1.1
82.89639	0.9
83.01395	12.2
83.05065	1.0
85.02944	10.2
87.00889	6.1
89.60353	1.1
93.03461	9.0
96.99303	3.7
99.00883	38.0
101.02431	2.1
111.00890	17.7
111.04504	3.1
111.08145	0.9
112.98814	49.7
115.00383	4.7
124.98804	19.4
128.07234	1.2
129.01932	2.2
140.98260	1.8
142.99863	59.3
173.00925	12.2
173.04558	3.1
173.54721	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00304	1.8
55.01883	6.0
57.03449	5.3
58.02971	3.1
59.01386	9.8
59.32958	1.1
59.53624	1.1
62.51059	1.1
67.01898	9.0
68.99812	3.4
69.03432	1.1
69.21741	9.0
71.01382	100.0
71.05036	1.5
72.99315	9.6
73.02947	11.7
80.99792	1.5
83.01388	10.8
83.05019	3.8
84.04189	1.1
84.99297	1.2
85.02951	79.6
85.06594	2.2
87.00876	8.7
93.03461	21.4
96.99329	3.6
98.20602	2.2
99.00887	35.1
100.07688	3.5
101.02428	1.6
111.00889	43.3
111.04527	11.1
112.98811	51.9
115.00376	4.9
118.56345	1.1
124.98815	24.5
128.07175	8.0
129.01964	15.8
129.05560	2.6
129.07549	1.5
140.98238	2.0
142.99866	68.5
154.99902	1.4
155.03551	5.7
173.00909	13.1
173.04535	24.9
174.07701	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	165.0404
Annotation	D-Xylonate
Peak:m/z	Relative Intensity
55.01869	1.9
57.03440	1.5
59.01381	7.6
70.28146	2.8
71.01385	6.2
72.99295	5.9
73.02940	2.9
75.00870	46.4
78.80634	0.8
80.06210	0.8
84.60150	0.8
87.00874	100.0
88.01213	1.0
89.02432	3.2
99.00879	11.1
101.02433	4.4
105.01932	79.7
117.01936	3.7
117.43781	0.7
119.03493	1.2
121.67875	0.9
129.01944	5.0
135.02998	2.3
147.02991	9.0
165.04039	73.6
166.04385	1.7
175.00107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1393
Annotation	Nitramine
Peak:m/z	Relative Intensity
58.02974	100.0
61.98836	1.1
68.33641	0.3
68.99803	0.4
69.03472	0.5
70.02973	0.8
70.60790	0.4
71.55434	0.6
73.43246	0.3
82.28503	0.3
82.95417	1.3
97.02965	0.9
100.36825	0.3
107.05106	0.4
108.04539	0.9
109.02475	0.5
112.08510	0.3
124.04865	0.6
124.07796	0.3
125.02451	3.9
126.90311	0.5
132.86813	1.2
151.11263	0.5
153.01500	0.9
168.03947	0.6
168.06776	0.4
168.13934	12.5
168.83626	0.6
168.98929	0.8
169.01366	2.0
184.58658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1124
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
54.54088	0.9
57.58714	0.8
59.01376	8.5
60.85008	0.8
61.98836	1.9
70.03267	0.9
70.71520	0.8
71.01385	2.8
71.54329	1.0
73.02946	1.2
85.02956	4.7
89.02402	1.2
91.01924	1.0
101.02456	7.1
113.02460	1.6
116.92109	1.5
118.99261	3.2
119.05035	100.0
120.01837	0.8
120.05364	2.9
131.03479	1.7
153.17175	0.9
162.83929	1.7
163.00388	4.1
163.04019	9.8
163.06128	14.2
163.11295	40.2
164.11620	1.3
166.18513	1.0
171.27658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
50.56095	0.3
59.01365	0.6
73.07889	0.5
75.00866	0.7
77.03970	1.6
87.00867	2.1
89.02443	0.7
93.03445	3.1
97.48587	0.5
98.20698	0.8
105.01946	1.7
108.02177	0.7
109.02911	0.6
119.04986	0.9
120.09116	0.5
121.02953	100.0
122.03309	2.0
123.04509	0.7
135.04497	0.8
137.02454	1.5
147.04483	0.9
150.03215	1.5
164.83565	1.0
165.01920	10.8
165.04053	1.8
165.05559	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	161.0245
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
55.01865	2.6
55.28925	0.7
57.03449	10.6
58.00586	3.1
58.12855	0.6
59.01379	57.5
69.03449	3.1
71.01382	46.8
71.05023	3.3
71.46334	1.3
72.99314	9.2
73.02945	32.6
75.00882	3.4
77.03957	1.6
81.03456	12.0
83.01388	16.1
84.02168	2.0
85.02950	75.7
86.02345	0.6
87.00879	5.9
87.03989	0.7
87.04520	3.2
87.49537	0.6
89.02442	18.7
89.03954	1.2
93.03465	0.8
95.01392	1.7
95.05018	4.2
97.02962	6.5
99.00868	1.1
99.04515	9.6
101.02426	9.5
102.78934	0.6
103.04017	1.2
105.03458	22.2
113.02461	7.9
115.04009	5.6
115.07632	1.3
117.03461	5.3
117.05573	3.9
123.04525	22.3
124.04871	1.0
125.02428	2.1
129.01926	1.0
131.03502	37.1
132.02132	3.6
133.02959	96.1
134.03322	2.5
143.03523	2.6
149.02492	1.2
159.03009	1.3
161.02451	100.0
161.04572	34.1
161.06046	2.4
161.08203	9.1
162.02852	2.4
162.04961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94658	0.7
53.43323	0.7
55.01880	3.5
57.03446	7.4
58.00587	2.0
59.01382	40.3
69.03446	2.2
71.01389	23.1
71.54588	1.2
72.99300	2.5
73.02950	28.8
75.00874	3.8
79.54059	0.7
81.03452	2.4
83.01388	3.8
83.05048	0.7
84.02168	1.1
85.02956	39.7
87.00875	0.9
87.04534	1.3
89.02452	9.4
90.66979	0.9
91.01885	1.4
93.03455	1.2
95.01395	1.4
97.02969	1.9
99.00903	1.6
99.04525	5.6
101.02448	39.0
102.02807	0.8
103.04018	4.6
105.48891	0.7
109.02937	1.8
113.02444	5.8
119.05033	65.0
120.05344	1.5
131.03494	5.2
135.00880	1.7
135.04530	0.8
145.05087	7.7
161.04535	1.4
162.89294	1.7
163.00424	4.8
163.04164	7.2
163.06131	100.0
163.19710	0.7
164.06471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
58.77954	0.2
66.03478	1.6
69.85551	1.1
70.87499	0.3
81.03455	0.5
83.56331	0.3
108.02180	1.1
109.02956	4.3
110.00112	0.4
121.02989	0.8
122.03744	34.9
123.04571	6.3
124.04890	0.3
125.02450	0.6
128.97585	0.2
135.04538	0.4
137.01987	0.5
137.99629	0.3
152.03534	100.0
153.01976	2.0
153.03856	2.6
153.05608	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
66.03495	3.6
70.83987	0.3
70.92826	0.4
70.93147	0.4
71.01385	0.3
76.01904	0.3
78.03487	0.8
81.03474	0.7
95.01409	0.3
95.05092	0.3
106.02993	0.6
107.03789	3.2
108.02171	2.0
108.04571	0.6
108.06797	0.3
109.02956	7.4
109.04994	0.3
109.06614	0.3
110.00082	0.8
110.02453	0.4
121.02988	0.6
122.02412	0.9
122.03747	25.2
123.04539	15.9
124.04852	0.7
125.02451	0.8
134.02443	0.5
135.04526	0.6
137.02016	1.1
137.99594	0.9
140.85468	0.3
151.00240	0.3
152.03537	100.0
153.01950	3.8
153.03830	2.1
153.05602	3.1
168.63739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	(4R,5R)-4,5-Dihydroxycyclohexa-1(6),2-diene-1-carboxylate
Peak:m/z	Relative Intensity
51.36763	0.4
67.01886	6.0
68.99832	1.5
69.03477	0.5
71.01375	0.7
71.55959	0.4
79.01904	1.1
81.03452	0.4
83.01385	0.4
85.02945	0.4
85.73062	0.3
95.01389	100.0
96.01737	1.9
97.02984	0.3
99.00911	0.4
109.02983	0.4
111.04514	0.8
112.01690	0.5
123.00876	2.4
125.02535	0.5
127.03988	0.5
144.27621	0.3
155.03505	45.4
156.03877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	D-Arabinose
Peak:m/z	Relative Intensity
59.01384	22.3
69.03459	2.9
71.01384	34.6
72.99317	6.3
73.02946	32.4
75.00873	25.1
76.01247	1.2
80.24306	1.0
85.02954	3.2
87.00880	14.0
87.20575	0.9
89.02449	100.0
90.02777	1.8
90.57973	1.0
101.02428	2.5
101.93376	1.0
103.04013	15.6
118.63990	1.1
119.70038	1.1
126.60995	1.0
131.03508	12.2
133.92740	1.1
139.42119	1.0
149.04570	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	D-Arabinose
Peak:m/z	Relative Intensity
55.01866	1.6
59.01380	23.0
69.03458	2.5
69.42429	10.1
69.42744	2.4
71.01383	36.8
72.99305	4.2
73.02946	30.4
75.00868	27.6
76.23539	1.5
79.54917	1.4
82.07530	1.3
85.02966	3.4
87.00874	15.8
89.02445	100.0
90.02776	1.5
91.67514	1.2
101.02455	4.2
103.04007	11.2
110.27297	1.3
129.01965	1.8
131.03526	13.0
149.02571	3.1
149.04555	79.0
150.04907	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
50.93387	0.9
61.70797	0.9
69.39139	7.1
73.54701	0.9
73.60030	0.8
78.10773	1.0
78.84887	0.9
80.13834	0.9
82.43969	0.9
97.06570	1.3
98.19921	2.2
99.08159	100.0
142.00595	0.9
143.07173	1.4
145.08710	55.8
146.09010	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
55.47651	4.8
57.03445	14.6
59.01385	30.4
60.75619	4.3
62.92513	4.5
69.82806	9.4
69.83198	11.6
71.01385	100.0
71.05009	8.8
72.99305	55.8
79.42785	4.5
85.02937	23.2
87.00887	32.2
89.50130	4.5
93.29774	4.5
101.06081	19.3
105.98000	4.9
129.01941	30.1
147.02963	9.4
147.06613	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	147.0664
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
55.01854	4.6
57.03455	25.7
59.01390	23.0
70.11794	12.8
70.12209	12.5
71.01382	43.1
71.05022	10.1
72.99313	12.0
73.02949	11.6
73.20862	4.4
75.00896	5.9
78.36344	5.2
84.77210	4.4
85.02968	92.4
87.00891	24.3
99.00869	7.4
101.02450	52.1
101.06085	23.8
103.04047	29.9
103.05926	5.3
129.01947	26.2
136.01428	4.9
147.02998	11.8
147.06648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0664
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
51.05197	2.3
55.01881	5.2
57.03448	15.1
58.69974	2.4
59.01384	24.9
71.01386	52.2
71.05019	36.7
72.99315	7.8
73.02953	6.6
73.06582	7.2
75.00870	12.4
83.01453	3.2
83.05019	5.8
85.02950	46.1
86.03349	2.7
87.00862	5.9
89.02489	2.9
99.00887	26.6
101.02446	24.6
101.06083	56.4
103.04000	12.6
116.56192	2.4
119.05017	5.5
129.01932	4.9
147.02962	5.9
147.04739	12.9
147.06644	100.0
149.76581	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	16.3
59.01382	11.6
68.99800	4.1
70.86964	3.6
71.01381	51.0
80.75549	2.1
80.99818	5.7
82.03009	11.7
83.01388	2.4
85.02951	4.7
87.00888	8.3
92.07019	1.8
96.99316	17.4
99.00882	2.3
105.48540	2.0
112.98806	22.2
115.00380	6.8
124.98814	52.6
134.24480	1.7
140.98289	10.8
142.99872	100.0
143.03529	2.2
144.00217	2.2
144.03011	2.1
149.20212	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95365	2.0
53.00319	13.1
55.01889	2.5
59.01385	10.7
68.99815	3.1
69.03455	2.4
71.01385	48.3
71.54404	2.3
72.99298	2.6
74.02467	8.7
75.02909	2.1
78.21614	1.8
80.99822	7.3
81.03456	3.7
82.02988	61.5
83.01351	2.9
85.02959	10.6
85.43992	1.9
87.00874	14.4
91.76261	1.9
96.99324	16.0
97.02985	3.9
112.98812	24.1
115.00437	4.1
124.97932	4.1
124.98816	45.3
125.02463	3.8
126.01952	5.2
140.98299	8.1
142.99869	100.0
143.03505	7.4
144.00208	2.9
144.03041	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	144.0303
Annotation	2-Oxoglutaramate
Peak:m/z	Relative Intensity
71.53224	2.4
72.00902	1.1
74.02470	17.2
82.02985	100.0
83.03336	1.1
90.20398	1.0
100.04044	4.6
142.51413	1.0
144.03035	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	145.0143
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
57.03436	12.9
59.01374	8.7
70.03875	12.2
71.01384	25.6
72.99279	7.3
73.02934	16.3
74.02469	4.9
82.02988	4.8
83.01381	22.9
83.03320	19.1
87.00866	17.4
99.00896	4.6
101.02446	65.5
102.05613	100.0
115.00401	21.1
127.00377	10.1
128.03532	43.4
145.01410	15.0
146.04564	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	139.0403
Annotation	2,4,5-Trihydroxytoluene
Peak:m/z	Relative Intensity
55.01894	2.6
67.01885	4.9
69.03450	2.6
71.06149	4.1
71.06510	1.9
81.03451	18.4
83.01388	2.9
83.05051	3.4
93.02867	4.8
93.03463	100.0
95.01381	4.4
95.05029	2.5
97.02958	12.1
109.02961	11.3
111.00864	5.6
111.04517	36.3
116.69115	2.2
121.02962	67.7
129.37933	2.4
137.02466	4.4
139.00386	5.3
139.04005	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0402
Annotation	4-Hydroxymethylcatechol
Peak:m/z	Relative Intensity
52.60683	1.2
62.49176	1.0
65.03963	1.5
67.01884	1.2
68.68482	1.0
69.24853	1.1
75.70998	1.1
78.92265	1.3
81.03448	7.8
93.03448	1.9
98.20673	2.3
108.02182	1.0
109.02957	100.0
110.03271	2.2
111.00882	3.8
120.46754	1.0
121.02908	2.1
139.00351	2.5
139.04025	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	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
65.01451	0.6
65.79195	0.4
68.02534	0.4
70.93050	0.7
75.00874	0.8
82.88072	0.4
92.02545	5.9
107.03638	23.7
116.00764	0.7
118.59372	0.4
134.04729	100.0
135.04318	0.8
135.05077	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	135.0302
Annotation	Threonate
Peak:m/z	Relative Intensity
59.01384	10.0
63.88146	1.0
69.19498	0.9
70.40178	3.6
71.01379	5.7
72.99319	16.0
73.01829	1.0
73.02944	1.1
75.00875	100.0
85.02946	0.9
87.00886	5.0
89.02442	8.7
93.83243	0.9
117.00802	4.0
117.01997	1.5
135.02998	36.2
135.04489	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	137.0245
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
54.14003	0.4
65.03970	0.8
69.52822	0.8
69.53249	1.4
93.03464	100.0
93.17204	0.3
94.03812	3.7
98.19923	0.6
131.13455	0.3
137.02449	23.7
137.06055	0.8
138.02780	0.8
157.00069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
64.10831	0.2
64.65837	0.2
66.67842	0.2
69.62772	0.6
69.63182	0.8
94.03000	0.3
94.03790	0.5
94.98103	0.3
98.20715	0.4
108.02179	51.1
109.02503	1.9
111.00850	0.6
137.89163	0.2
138.01976	100.0
139.00488	0.3
139.02330	4.0
139.04018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.1
64.75970	1.2
71.01389	60.0
71.11469	1.9
72.01700	1.1
72.99316	16.0
85.11199	0.9
85.16275	0.8
87.00885	2.6
89.02467	5.4
98.29447	0.9
101.49495	0.8
115.00384	100.0
116.00709	2.3
133.00447	1.7
133.01439	27.2
134.01793	1.0
141.23570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95877	0.7
56.23944	1.0
56.24261	0.7
59.01380	0.9
70.72201	1.8
71.01385	55.7
72.01745	1.1
72.99309	12.3
87.00890	2.1
89.02451	7.4
93.72135	0.8
94.28773	0.7
95.72648	0.8
108.05176	0.7
115.00375	100.0
116.00710	2.0
126.60456	0.7
127.93305	0.8
127.99087	0.7
133.01433	26.7
133.02434	1.3
134.01781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0715
Annotation	(S)-(-)-2-Hydroxyisocaproic acid 
Peak:m/z	Relative Intensity
57.03447	2.7
59.01392	1.9
69.03454	10.6
70.05783	4.0
70.06146	1.1
71.01379	4.0
72.99310	1.3
73.02943	8.6
85.02950	5.6
85.06595	100.0
86.06926	3.4
87.04526	4.5
101.02435	1.1
108.48117	0.9
113.02447	1.4
113.06083	2.4
117.14127	1.0
131.03519	3.6
131.07152	63.2
132.07526	1.8
141.54184	1.0
144.46188	1.1
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
51.85168	0.9
59.01376	1.1
68.86008	0.9
69.64420	4.1
71.01385	57.6
72.99310	14.3
85.39806	0.9
87.00863	2.1
89.02453	7.1
100.71687	0.8
107.03619	2.9
111.51237	1.0
115.00377	100.0
116.00733	2.7
133.01439	26.9
134.04724	8.9
147.99519	1.0
148.81839	1.1
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
59.01368	1.3
70.81628	1.0
70.81969	1.4
71.01385	65.0
72.01710	1.6
72.13762	0.8
72.99310	13.9
75.18902	0.8
87.00890	1.0
89.02454	7.2
103.01009	0.8
115.00379	100.0
115.81340	0.9
116.00719	3.0
133.01439	29.1
133.04990	1.1
147.05542	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01870	17.8
57.03449	59.9
67.01896	100.0
68.99813	13.4
69.04350	5.4
71.01391	37.7
71.54356	8.5
73.02929	9.2
83.01369	9.2
85.02969	47.8
88.04041	14.4
101.02464	14.4
129.01973	35.8
129.05559	20.1
130.08733	9.7
139.99907	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	130.0875
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
50.44421	0.8
65.73058	0.8
69.41978	5.8
71.01389	0.8
73.02946	3.4
77.03782	0.9
85.02956	1.5
87.04525	1.7
92.59966	0.8
96.34541	0.8
98.20684	1.7
130.08746	100.0
131.03503	1.9
131.09079	2.5
149.81314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.33126	0.2
55.29514	0.2
69.49894	1.9
72.22150	0.3
91.01889	0.9
93.03475	1.9
94.02991	0.7
95.01410	0.6
108.02187	2.2
121.02952	100.0
121.28154	0.3
122.02466	1.0
122.03295	4.4
139.42131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
60.67096	1.8
69.43248	11.7
69.43671	6.2
74.54650	2.0
91.83690	1.9
92.34310	2.0
93.03481	3.1
121.02960	100.0
122.03303	4.8
134.15485	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0402
Annotation	5-Hydroxymethylfurfuryl alcohol
Peak:m/z	Relative Intensity
59.48099	0.5
67.01894	100.0
68.02216	2.2
69.58602	3.5
71.01377	1.3
83.01386	0.7
83.05038	0.7
85.02956	1.6
96.11546	0.6
97.02927	0.9
98.19921	1.1
109.02921	0.8
110.90900	0.6
112.01670	2.9
114.85167	0.5
126.90444	6.0
127.00378	2.2
127.04026	18.0
128.03558	1.3
128.07169	2.6
129.39500	0.5
131.10854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.04
Annotation	5-Hydroxymethylfurfuryl alcohol
Peak:m/z	Relative Intensity
54.66102	0.7
67.01890	100.0
68.02221	2.5
69.47607	3.5
69.48026	2.0
80.10199	0.8
81.03476	0.9
83.05021	1.1
85.02941	0.9
97.02946	0.9
112.01662	3.6
126.90426	1.7
127.00400	1.2
127.04012	17.0
147.59750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0766
Annotation	Ethyl tiglate
Peak:m/z	Relative Intensity
53.72258	7.2
64.48367	6.3
70.86219	18.2
70.86569	7.5
71.01357	10.7
81.03467	11.7
85.02960	28.8
98.99319	7.7
99.04530	8.1
108.92270	7.7
112.23441	7.6
126.90430	100.0
127.00370	34.7
127.04018	48.0
127.07674	96.3
128.03539	25.1
128.07184	38.0
145.57307	7.1
146.70549	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	1199.5862
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05041	0.4
85.02956	15.2
87.00885	3.4
89.02460	0.5
93.03464	7.1
93.53417	0.4
95.01390	0.6
99.00883	0.6
99.04491	0.7
101.02435	1.4
108.02213	0.7
109.02960	1.6
111.04520	1.8
113.02419	0.9
127.04018	3.8
134.11086	0.4
135.04529	0.8
137.02490	0.5
159.04514	1.4
160.05255	0.7
171.03008	0.8
171.04427	0.8
171.43604	0.4
172.05275	3.9
173.04546	2.0
173.06044	1.0
174.03221	1.4
183.04453	0.9
185.06091	1.3
187.03983	1.6
191.05618	79.4
192.06020	2.0
197.06070	1.1
199.04018	7.6
199.07513	0.5
200.04784	2.2
201.05656	0.6
202.06366	0.6
204.04309	1.0
207.52354	0.5
211.03949	1.3
211.07648	0.7
213.05629	0.7
221.06644	0.5
227.03499	22.3
228.04254	9.9
232.03717	0.7
239.14406	0.5
242.06012	0.6
255.23332	3.9
267.13870	0.8
277.21710	1.6
281.15427	1.2
283.13412	25.4
284.13739	1.1
301.14487	2.9
307.13385	0.6
309.14957	9.4
311.12909	8.5
311.16431	0.5
325.14435	2.7
327.12320	3.9
327.16037	4.5
329.14026	1.4
335.12967	0.9
343.15485	0.6
343.28198	0.6
345.13403	0.5
352.07996	0.5
353.13968	19.9
354.14377	1.6
371.15012	3.7
380.25900	0.5
397.13629	0.5
445.18100	0.4
545.28394	0.5
594.67645	0.4
634.57501	0.4
725.27185	0.5
754.26001	0.4
769.29529	1.8
937.51703	0.7
963.49652	7.7
964.50989	0.7
965.51068	2.2
979.52710	0.8
981.54700	1.8
989.51807	2.4
1007.52277	100.0
1008.52594	17.5
1025.53235	5.5
1026.53284	1.1
1181.58032	4.8
1182.57410	1.0
1199.58557	40.5
1200.58826	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	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
54.88016	0.5
55.01886	1.0
69.65378	0.5
73.02948	100.0
74.03277	3.2
88.62769	0.5
99.00880	9.2
116.92854	2.4
117.01941	19.5
118.02276	0.9
132.79366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
59.01377	0.8
71.53396	0.7
73.02946	100.0
74.03278	1.9
81.46446	0.5
99.00887	9.6
99.92593	1.5
105.61337	0.5
105.80133	0.5
111.46516	0.5
115.99464	0.4
116.92854	6.9
117.01942	20.8
117.05663	0.6
117.92862	1.4
124.96869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
60.66412	2.6
64.30832	2.6
68.99541	2.9
69.41857	7.7
69.42281	10.9
71.01382	100.0
73.25416	2.7
87.00894	2.7
96.89647	2.3
98.19918	5.6
114.93447	4.7
115.00385	12.7
115.04002	3.5
116.07139	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0766
Annotation	Isocaproic acid
Peak:m/z	Relative Intensity
52.84105	1.4
71.01382	2.4
71.55257	1.8
76.64294	1.3
93.95177	1.6
97.93163	1.8
105.03401	1.3
110.12071	1.6
114.93413	7.9
115.04013	2.5
115.07658	100.0
116.07980	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	1165.7254
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03436	0.1
83.01383	0.4
83.05030	0.1
85.02957	0.6
87.00879	0.7
89.02448	1.8
91.04015	0.1
93.03455	0.1
95.01381	0.2
96.95950	0.0
97.02958	0.5
98.19872	0.1
99.00890	0.2
101.02446	2.5
109.02969	0.0
111.00864	0.0
113.02454	1.2
115.03968	0.1
119.03508	0.7
121.02982	0.1
125.02454	1.2
131.03474	0.1
133.05074	0.1
135.04523	0.1
135.05530	0.0
139.03983	0.1
141.01897	0.0
143.03510	0.4
149.04501	0.1
161.04575	0.5
165.98550	0.0
167.03490	0.1
179.05630	0.6
185.04590	0.1
191.05688	0.1
199.06038	0.1
217.07191	0.0
221.06723	0.2
235.08234	1.4
236.08568	0.1
245.06725	0.1
253.09340	0.3
263.07867	0.1
277.09344	0.1
277.21722	7.6
278.22061	0.4
285.70526	0.1
287.07751	0.5
305.08810	0.8
323.09598	0.2
358.15674	0.0
379.12424	0.1
379.29449	0.0
397.13510	20.6
398.13864	0.9
413.34186	0.1
415.14581	6.1
416.14935	0.2
423.33218	0.1
425.33838	0.1
427.28949	0.1
429.29736	0.0
430.30502	0.0
441.33823	0.1
443.31577	0.1
444.31970	0.1
453.33951	0.0
469.33157	0.1
470.33661	0.1
471.34900	0.7
472.34778	0.1
474.98538	0.0
485.32422	0.1
487.34366	1.7
488.34702	1.7
489.35852	100.0
490.36203	8.8
675.35980	4.0
676.36334	0.4
1165.71143	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	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
51.55656	3.3
69.47594	24.5
69.47933	6.0
71.01381	100.0
72.53925	4.0
81.39317	3.7
86.13788	3.7
106.37769	3.8
115.00349	12.2
115.03986	3.9
118.96471	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	113.061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08100	0.3
57.03456	2.8
59.83111	0.3
62.34638	0.3
68.99576	100.0
69.03442	0.9
69.99905	0.8
71.01402	0.4
71.55487	0.3
76.93251	0.3
78.69058	0.3
78.74226	0.3
81.80072	0.3
84.02184	0.9
85.02953	6.8
92.24057	0.3
112.98573	3.4
113.02469	2.5
114.05594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1141.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	1.2
83.05015	0.8
85.02946	6.7
85.03464	0.4
87.00877	6.6
89.03977	0.7
93.03458	40.3
94.03770	0.9
96.95998	1.6
97.02937	0.2
99.00891	1.0
99.04510	0.9
101.02454	0.5
105.03474	0.2
107.04975	0.2
108.02183	0.7
109.02942	1.7
111.00869	1.1
111.04520	5.6
113.02456	0.8
115.04008	0.2
115.05547	0.2
117.03465	1.4
121.02954	0.6
122.03778	0.2
124.01677	1.3
125.02486	1.0
126.03233	0.3
127.04010	2.1
129.01926	0.8
132.02168	3.2
133.02991	2.2
134.03735	4.0
135.04527	21.8
136.04858	0.5
137.02470	1.5
139.04048	0.2
143.03490	0.5
145.02879	0.4
149.02415	0.2
150.03197	1.1
151.04015	2.3
153.01892	0.3
154.02460	0.2
155.03522	1.6
158.03755	0.2
160.01659	10.1
161.02422	1.5
161.04518	0.2
162.03227	1.6
167.03551	0.2
171.02960	0.5
173.04546	17.1
174.04883	0.3
175.03999	0.2
177.01950	0.7
178.02730	0.9
179.03491	4.6
180.04268	0.3
184.05313	0.2
187.07593	0.6
191.05603	100.0
192.05975	1.9
209.11874	0.5
213.09285	0.8
215.05637	0.7
228.04327	0.2
229.08806	0.2
231.10292	0.5
257.08194	5.9
258.08572	0.3
263.85690	0.2
275.09216	3.8
306.07425	0.3
307.08194	1.3
308.09018	2.5
351.07187	4.7
352.07928	5.5
353.08575	0.3
431.12872	0.2
449.14508	77.4
450.14880	4.8
451.14990	0.5
1141.41418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
51.46591	1.2
55.01880	17.6
67.01890	11.8
71.01376	4.8
71.54311	1.9
74.83821	1.9
78.95908	100.0
83.01389	49.2
84.01730	1.7
110.97594	4.1
110.98496	3.5
111.00161	2.1
111.00878	31.0
111.02003	7.0
112.01173	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.7311
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	0.5
83.01390	0.2
83.05022	0.5
85.02952	0.2
87.00896	0.2
87.98106	0.1
89.02449	0.6
96.96008	0.2
101.02483	0.6
103.80468	0.1
110.98543	0.2
113.02451	0.4
119.03517	0.3
121.06623	0.1
125.02444	0.4
135.04454	0.1
161.04538	0.3
185.02187	0.2
191.05580	0.3
222.56471	0.1
235.08195	0.4
255.23276	1.9
277.21729	5.0
278.21933	0.1
280.50073	0.1
287.07755	0.2
305.08646	0.1
311.20068	0.3
324.08313	0.1
397.13513	6.1
398.13873	0.3
405.31488	0.8
407.33307	0.2
409.34894	0.3
415.14505	1.8
415.41418	0.1
421.31384	0.2
423.32724	0.5
425.34247	2.8
427.36118	0.1
435.32608	0.3
445.23645	2.7
446.24081	0.2
453.33743	9.1
454.33984	0.9
457.33276	0.4
469.33215	0.9
471.34793	100.0
472.35159	7.4
588.39063	0.1
611.58698	0.1
653.37500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.6181
Annotation	Unknow
Peak:m/z	Relative Intensity
76.01591	0.1
78.95908	5.4
83.05040	0.3
85.62600	0.1
96.95995	0.3
110.98539	3.9
116.92908	0.2
152.99533	0.3
167.01141	1.3
178.06752	0.1
185.02203	3.9
191.05563	0.2
233.22716	0.5
259.20670	0.5
269.20807	0.1
275.20126	0.6
275.40222	0.1
277.21713	100.0
278.22052	3.6
332.83792	0.1
445.23593	61.8
446.23947	2.3
471.35159	0.7
595.98376	0.1
953.51166	0.1
1039.54565	0.2
1060.43860	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	1101.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
76.88989	0.2
79.95764	0.3
80.87019	0.3
81.03428	1.3
83.05016	0.7
85.02950	6.6
87.00878	5.3
89.03963	0.7
93.03459	35.6
93.51066	0.3
94.03783	0.5
95.01409	0.4
96.96010	1.8
99.00899	0.8
99.04520	0.9
107.05032	0.3
108.02193	0.7
109.02950	1.5
111.00892	1.6
111.04530	4.8
111.05232	0.5
113.02434	0.8
115.03992	0.3
117.03457	1.6
119.05020	0.3
124.01684	1.4
124.03731	0.2
125.02458	0.6
127.04007	1.8
129.01924	0.7
132.02176	3.3
133.02969	1.9
134.03757	3.9
135.04529	19.8
137.02477	1.3
143.03497	0.4
149.06035	0.4
150.03215	1.0
151.00401	0.3
151.04022	2.2
153.01901	0.3
155.03487	1.1
160.01657	10.0
161.02443	1.3
162.03221	1.8
171.02995	0.6
173.04552	16.1
177.01920	1.1
178.02715	1.1
179.03513	4.5
180.04274	0.4
187.04025	0.3
187.07597	0.7
191.05609	100.0
192.05948	1.2
213.09184	0.5
215.05640	0.8
229.08521	0.3
231.10295	0.6
257.05667	0.4
257.08218	6.7
275.09244	4.0
307.08221	1.9
308.08917	2.8
351.07153	4.7
351.11255	0.4
352.07928	5.3
353.08588	0.3
393.65640	0.3
449.14523	69.7
450.14902	3.7
453.18063	0.9
644.57819	0.3
815.50323	0.3
848.77441	0.3
939.48041	0.5
1101.39014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
77.94589	0.1
83.01392	0.4
85.02947	0.8
87.00875	0.3
91.01939	0.1
93.03465	1.6
96.96013	0.2
97.52880	0.1
99.04494	0.2
103.75777	0.1
107.01407	1.3
108.02166	0.5
109.02966	0.9
111.04542	0.2
121.02958	1.1
124.01644	0.1
125.02458	0.2
127.04000	0.2
133.02953	0.1
135.00864	0.6
135.04486	0.2
137.02417	0.3
141.79912	0.1
143.05185	0.1
145.02995	0.2
146.03687	0.1
148.01677	0.6
149.02406	0.2
151.00366	7.1
152.00970	0.2
155.03554	0.1
159.04463	0.4
161.02397	0.4
161.04553	0.2
163.00380	1.4
163.04004	0.3
164.01225	0.3
169.01436	0.4
173.04556	0.5
173.06041	0.2
174.03218	0.1
175.04074	0.2
178.99867	3.5
183.04535	0.5
187.03996	0.5
187.07649	0.5
190.02655	0.2
190.99875	0.2
191.05612	8.6
192.00656	0.4
192.05791	0.2
193.01395	0.2
199.03960	0.4
200.04854	0.3
201.05548	0.3
202.06310	0.2
203.03540	0.2
211.03978	0.5
213.09290	0.2
215.03526	0.3
216.04285	0.3
226.02757	0.8
227.03464	1.8
229.05058	0.5
231.02907	0.1
231.10260	0.2
239.03506	0.2
243.02980	5.7
244.03513	0.3
245.04453	0.8
254.02208	1.6
255.02977	16.1
256.03494	0.7
257.04602	0.2
257.08179	0.3
267.27841	0.1
271.02472	33.2
272.03015	2.0
273.03961	0.6
275.09235	0.2
283.02493	0.7
299.01984	1.0
300.02747	63.7
301.03488	25.4
302.03891	0.9
313.03369	0.2
325.03009	0.1
337.09302	0.5
343.04617	0.7
385.06903	0.1
432.77884	0.1
449.14441	2.1
450.15433	0.2
481.17719	0.7
538.68756	0.1
554.65283	0.1
607.12976	0.2
608.13440	0.2
609.14581	100.0
610.14929	7.3
611.15393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01405	0.4
85.02969	0.9
87.00881	0.4
91.01907	0.2
93.03461	4.2
95.01362	0.2
96.59346	0.1
96.96011	0.5
101.23799	0.2
107.01385	1.6
108.02190	0.6
109.02965	0.8
111.04485	0.4
121.02955	1.0
125.02457	0.3
127.04039	0.3
135.00885	0.5
135.04529	0.2
136.01672	0.3
137.02478	0.3
138.04814	0.1
145.02931	0.3
148.01686	0.4
151.00368	6.4
155.03487	0.2
159.04477	0.3
161.02472	0.2
161.83601	0.2
163.00388	1.5
163.03935	0.2
164.01173	0.2
169.01416	0.2
171.04526	0.2
173.04573	1.5
173.05992	0.3
178.99864	3.4
183.04515	0.4
187.04033	0.4
187.07663	1.0
191.05609	15.3
192.00641	0.2
192.05890	0.2
193.01489	0.2
199.03990	0.5
200.04793	0.2
201.01918	0.2
203.03419	0.2
203.10872	0.2
211.04001	0.5
213.09225	0.5
215.03482	0.3
216.04306	0.3
226.02666	0.7
227.03551	1.4
228.04350	0.3
229.05060	0.3
231.10251	0.5
243.02972	5.2
244.03639	0.2
245.04514	0.7
254.02171	1.4
255.02982	15.0
256.03506	0.5
257.08215	1.2
271.02475	30.7
272.03003	1.7
273.04025	0.6
275.09338	0.7
283.02469	0.6
299.01962	0.8
300.02747	65.9
301.03506	24.8
302.04044	0.7
343.04468	0.7
449.14532	6.0
450.14835	0.3
467.15668	5.0
521.16663	0.5
609.14600	100.0
610.14972	6.0
611.15192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03465	0.4
83.05053	0.2
85.02958	8.2
85.36210	0.1
87.00880	2.0
93.03465	5.8
96.96012	0.2
99.00887	0.2
99.04522	0.3
101.02456	0.1
103.54925	0.1
107.01434	0.3
108.19333	0.1
109.02951	1.3
111.04518	1.3
113.02495	0.1
125.02425	0.3
127.04029	2.2
135.04526	0.3
137.02451	0.2
143.03386	0.2
151.00409	0.6
153.01933	0.3
155.03476	0.3
158.03616	0.2
159.04536	0.2
161.02513	0.2
161.04527	0.2
163.00388	0.1
171.03075	0.7
171.04315	0.1
173.04561	3.3
173.06009	0.3
174.03304	0.2
174.06749	0.2
178.99867	0.2
184.05225	0.2
187.04051	1.2
187.07634	2.2
189.03981	0.1
191.05618	100.0
192.05952	1.4
197.06119	0.3
199.03958	0.2
200.04761	0.3
201.05547	0.3
201.09189	0.3
202.06351	2.2
203.07111	0.4
213.09209	1.5
215.07169	1.1
227.03500	4.6
228.04079	0.4
229.04953	0.7
231.10254	2.6
239.03514	0.3
240.04198	0.2
241.05078	0.3
245.11769	0.4
247.09724	0.5
249.30530	0.1
255.02991	8.3
256.03668	0.8
257.04581	0.4
257.08224	0.8
263.12961	0.2
275.09311	0.9
284.03275	14.2
285.04022	5.6
286.04105	0.3
289.10846	1.5
300.03000	0.3
307.11923	0.7
327.05103	0.2
411.13150	0.2
449.14566	22.1
450.14920	0.9
463.16296	0.5
479.21408	0.2
480.21884	0.2
481.17200	16.4
482.17538	1.0
590.84357	0.1
593.15131	24.8
594.15497	1.7
595.15753	0.5
865.21100	0.2
944.71344	0.2
1043.28638	0.2
1057.28687	0.3
1075.29761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
82.65326	0.6
83.01380	4.2
85.02967	0.6
93.03455	1.1
95.01357	1.3
96.95998	1.9
107.01387	11.2
109.02927	2.0
111.00892	0.9
121.02975	2.6
123.00854	0.8
124.01676	3.1
125.02441	2.3
133.02873	0.5
137.02402	1.6
139.04010	0.7
146.03584	0.4
148.01630	1.2
149.02417	2.1
151.00362	36.7
152.00179	0.6
152.01176	7.5
153.01950	3.3
159.04614	0.6
161.02411	1.6
163.00334	2.0
163.04019	0.5
165.01831	0.9
167.03433	0.6
169.01448	2.8
169.02608	0.5
175.00314	1.7
175.04015	2.4
178.99852	40.6
180.00189	0.9
181.01506	0.7
183.04456	1.4
189.01959	1.3
190.99826	1.3
191.03572	0.7
191.05553	1.9
192.00591	2.7
193.01413	6.2
197.02481	0.8
198.03175	1.2
199.03967	1.6
202.02780	0.5
203.03516	3.4
204.12753	0.5
211.04013	1.4
213.01927	1.7
214.02669	1.2
215.03496	1.6
217.01405	0.6
224.46815	0.5
225.01871	1.7
226.02774	4.0
226.04723	0.8
227.03464	5.1
228.04155	1.2
229.01378	1.0
229.05046	0.6
230.02309	0.5
231.02902	0.8
237.01866	2.3
239.03429	1.5
240.00607	0.7
240.04279	0.6
241.01340	1.8
241.04955	1.2
242.02155	1.8
243.02924	2.2
244.03746	1.2
251.03493	0.5
253.01358	4.9
254.02167	6.4
255.02937	10.3
256.03662	1.5
257.00793	0.8
259.02338	0.7
266.02100	0.7
267.02969	3.0
268.03757	0.5
269.00903	13.8
269.04004	0.7
270.01599	1.7
271.02475	10.8
271.70767	0.5
272.03040	0.9
273.04047	0.7
277.05115	0.7
279.02759	0.6
281.00955	3.2
282.01672	2.0
283.02451	3.7
284.03293	1.2
291.02661	0.5
293.04422	0.8
294.01764	0.5
295.02560	2.3
296.03049	0.9
297.00366	2.2
297.04031	1.7
298.01263	0.6
299.01859	5.5
300.02658	0.7
305.04562	0.8
309.03967	1.0
311.01904	1.6
313.03430	0.8
317.04584	1.2
319.06122	0.9
321.03989	1.3
323.01971	0.7
326.90207	0.5
333.03979	1.8
335.05643	1.2
339.04932	1.2
340.02280	0.6
341.03009	2.9
345.03922	1.6
347.05511	2.5
349.03302	0.9
359.05356	0.7
361.03589	1.9
362.04068	0.7
363.04980	1.5
365.02930	2.0
373.03369	1.6
374.03864	0.7
375.05145	3.3
377.02832	1.1
377.06976	0.6
379.04581	1.2
388.02310	1.2
389.03064	4.7
390.03665	1.8
391.04437	2.3
392.05383	0.9
393.06189	1.1
402.03281	0.6
403.04791	2.3
404.05325	2.0
405.02057	0.6
405.06223	8.1
406.03012	1.4
407.04050	8.4
409.05655	1.8
417.02490	1.3
418.03232	2.6
419.04050	13.1
420.04712	1.7
421.05807	5.8
430.03635	0.7
431.03958	1.8
433.01859	5.5
435.03833	1.2
447.03149	1.5
448.04272	2.0
449.05338	4.3
451.03009	2.0
461.01355	0.7
463.02948	0.8
517.22839	1.3
553.20612	3.8
583.05060	3.2
599.04852	1.6
600.05090	2.2
601.06140	11.3
602.06567	0.9
699.07916	0.5
710.64874	0.6
763.11560	10.9
764.12177	1.2
909.17322	24.3
910.18311	1.9
911.18506	0.6
963.63281	0.6
1071.22473	100.0
1072.22717	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	1071.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01394	3.1
85.02930	0.6
87.00858	0.4
89.00319	0.4
93.03455	0.9
95.01391	1.2
96.27972	0.4
107.01389	10.1
109.02911	1.7
111.00919	0.5
117.03436	0.5
118.33615	0.3
121.02957	2.2
124.01660	2.3
125.02446	1.6
134.54616	0.4
135.00871	0.6
135.04521	0.5
137.02406	0.9
139.04048	0.6
145.02951	0.8
148.01675	1.2
149.02455	2.8
151.00378	30.0
152.01172	5.8
153.01942	1.2
161.02448	1.7
163.00394	1.3
163.03999	0.4
165.01852	0.6
169.01408	2.9
169.02853	0.7
171.04619	0.5
173.02357	0.6
175.00383	1.6
175.03941	2.2
178.99866	38.8
180.00243	0.7
182.03586	0.3
183.04497	0.7
185.02435	0.8
186.03293	0.5
187.03995	0.6
189.01897	0.8
190.99911	1.3
191.03423	0.6
191.05620	1.2
192.00655	2.6
193.01428	6.3
193.57625	0.4
197.02429	0.7
198.03212	1.1
199.03986	1.6
201.01857	0.6
203.03479	4.1
211.04022	1.6
213.01898	1.1
214.02731	1.7
215.01602	0.3
215.03482	1.8
217.01401	0.4
219.02893	0.5
225.01907	1.3
226.02705	3.4
227.03502	6.2
228.04224	1.2
228.25676	0.4
229.01437	1.1
229.04965	0.5
231.02985	0.8
237.02034	2.1
238.02579	0.6
239.03479	2.4
240.04243	0.6
241.01445	1.9
242.02167	1.3
243.02972	1.8
244.03662	0.4
245.04416	0.8
249.05630	0.4
253.01424	3.3
254.02173	4.3
255.02969	8.3
256.03632	1.5
257.00885	0.5
259.02194	0.8
265.05109	0.6
266.01974	0.5
267.03012	1.8
269.00952	5.7
269.03970	0.6
270.01672	1.0
271.02478	11.6
272.03125	1.0
277.05161	0.6
279.02991	0.5
280.03506	0.4
281.00894	2.5
282.01660	1.3
283.02536	2.8
284.03156	1.0
285.03592	0.6
293.04568	1.1
295.02539	1.7
296.03247	1.0
297.00458	1.0
297.04053	1.8
299.01959	4.6
300.02646	0.8
301.03790	0.4
303.06677	0.5
305.04535	0.8
309.04059	0.9
311.01953	1.4
313.03619	0.5
317.04440	0.9
319.05942	0.5
321.04004	1.5
329.04691	0.9
331.02112	0.4
332.03168	0.6
333.03998	1.4
334.04697	0.5
335.05728	1.2
340.02258	0.6
341.03009	4.1
345.03952	1.0
346.04651	0.6
347.01889	0.7
347.05600	2.0
348.02585	0.6
348.06506	0.4
349.03445	1.3
351.05072	0.7
355.21310	0.4
359.05817	0.8
361.03574	1.7
363.05283	1.8
365.03076	1.9
373.03650	0.7
374.04312	0.4
375.05219	2.2
376.06018	0.6
377.03009	1.3
377.07013	0.6
379.04642	1.0
387.05090	0.5
388.02103	0.6
389.03000	6.5
389.18192	1.9
390.03778	1.4
391.04547	1.7
392.05438	1.2
393.05905	0.5
401.03085	0.6
401.11319	0.5
403.04617	1.1
404.05347	0.9
405.06400	8.3
406.03110	2.0
407.04053	8.5
409.05618	1.2
415.01212	0.6
417.02597	1.7
418.03342	0.8
419.04175	5.2
420.04791	1.4
421.05768	4.0
429.02393	0.5
431.04306	1.1
432.01031	0.7
433.01981	7.2
434.02682	0.5
436.29333	0.4
447.03583	1.9
448.04541	0.7
449.05502	2.7
451.03149	2.8
461.01642	0.7
463.03101	0.9
465.04706	0.5
479.03036	0.6
527.06506	0.8
533.07196	0.5
545.08392	0.4
555.05371	0.6
569.09106	1.3
583.05029	3.3
595.07758	0.5
599.05029	1.3
600.05432	1.5
600.96210	0.6
601.06189	12.2
602.06299	0.5
763.11487	20.2
764.11945	1.4
909.17365	10.5
910.18262	0.9
1071.22607	100.0
1072.22986	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	1067.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
78.07191	0.1
79.95726	0.1
83.01395	0.3
85.02946	0.3
93.03470	0.4
96.95997	0.5
98.19765	0.1
98.95513	0.1
101.02425	0.7
107.01366	0.9
109.02993	0.1
113.02445	0.3
117.03446	0.1
119.03512	0.1
125.02444	0.1
132.02203	0.5
135.00874	0.5
143.05008	0.2
151.00368	2.0
157.06487	0.1
159.04442	0.3
161.04555	0.2
163.00359	0.6
164.01134	0.2
167.04979	0.1
169.01442	0.2
169.06580	0.2
171.04402	0.1
174.03143	0.3
178.99811	0.3
183.04456	0.4
185.02455	0.1
185.06067	0.6
187.03908	0.7
189.05513	0.3
190.99763	0.2
191.05548	0.6
197.06119	0.2
199.04008	0.4
200.04829	0.2
201.05498	0.2
208.00130	0.1
209.00789	0.2
211.03969	0.9
212.04848	0.1
213.05556	0.6
214.02586	0.1
217.04997	0.1
225.15079	0.1
227.03470	18.0
228.03932	0.6
229.05067	2.9
239.03433	0.7
240.04231	0.2
241.05099	0.5
255.02962	36.7
256.03586	3.0
257.04514	2.0
268.03787	0.2
269.04495	0.2
283.02518	0.4
283.05737	0.2
284.03238	60.8
285.03983	23.3
286.04318	0.9
299.05560	0.2
300.02814	0.2
327.04962	1.1
336.23840	0.1
369.19119	1.3
387.20175	0.6
429.21191	1.3
459.49075	0.1
471.13062	0.4
472.13409	0.3
473.13480	0.3
508.10278	0.2
593.15057	100.0
594.15375	6.3
595.15698	0.2
712.65948	0.2
750.63757	0.1
1014.10303	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	1061.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03470	0.3
82.15698	0.1
83.01414	0.3
83.05038	0.3
85.02950	2.3
87.00878	1.5
93.03462	10.6
94.03831	0.1
96.95989	0.2
98.19836	0.2
99.04507	0.3
105.87623	0.1
107.01399	0.9
108.02215	0.2
109.02950	1.6
110.48098	0.1
111.00885	0.2
111.04528	1.2
124.98420	0.1
125.02438	0.2
127.04002	0.4
129.01996	0.2
132.02222	0.3
133.02954	0.4
134.03749	1.4
135.00916	0.7
135.04523	0.6
136.01666	0.9
137.02446	2.0
143.04977	0.4
145.06677	0.1
149.02399	0.1
151.00381	1.2
151.04022	0.4
153.01973	0.3
154.02728	0.1
155.03496	0.3
155.04994	0.1
157.06613	0.4
159.04509	0.4
163.00406	1.5
164.01160	0.2
165.01956	0.3
167.05099	0.2
169.01450	0.1
169.06575	0.5
171.03053	0.3
171.04503	0.5
172.05183	0.2
173.04552	5.3
173.05991	0.3
174.03256	0.2
174.04686	0.1
177.01956	0.3
178.02748	0.2
178.99893	0.3
179.03526	0.3
183.04518	0.4
184.37315	0.1
185.05008	0.1
185.06136	1.1
187.03999	1.6
187.07661	0.5
189.05597	0.5
191.05611	24.7
192.05971	0.4
195.02951	0.2
195.04521	0.4
197.06058	0.7
198.03323	0.1
199.03999	0.6
200.04774	0.3
201.05602	0.3
211.03999	1.5
212.04727	0.1
213.05591	1.1
213.09109	0.2
227.03497	15.2
228.04002	0.7
229.05054	5.7
230.05379	0.2
231.10265	0.5
233.06483	0.2
239.03497	1.0
240.04207	0.5
241.05060	0.7
243.02962	0.2
255.02986	28.9
256.03659	2.5
257.04538	3.8
257.08176	1.2
267.03061	0.6
269.04474	0.2
275.09314	0.4
283.02429	0.3
284.03262	39.2
285.04034	51.6
286.04385	1.6
293.10376	1.2
297.03821	0.2
300.02640	0.2
327.04916	0.9
357.05988	0.1
370.08936	0.3
380.60037	0.1
437.14676	0.4
449.14563	5.0
450.15164	0.2
467.15576	17.1
468.15894	0.8
593.15088	100.0
594.15405	5.5
1061.31677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03457	0.3
83.01405	0.3
83.05038	0.2
85.02946	1.1
85.74358	0.1
87.00882	1.3
88.92358	0.1
91.01920	0.2
93.03457	8.7
95.01368	0.2
98.19878	0.3
99.04517	0.2
107.01383	1.2
108.02187	0.2
109.02959	1.1
111.04533	1.1
117.03478	0.3
121.02927	0.2
125.02393	0.2
127.03989	0.4
132.02165	0.3
133.02893	0.2
134.03743	1.3
135.00853	0.7
135.04546	0.4
136.01685	0.5
137.02449	1.2
141.07111	0.2
143.04993	0.5
145.02905	0.2
151.00348	1.4
151.04047	0.4
153.01935	0.4
155.03477	0.4
157.06624	0.3
159.04453	0.7
161.02354	0.2
163.00336	1.6
164.01190	0.2
165.01923	0.3
167.04994	0.3
169.01393	0.1
169.06563	0.4
171.02980	0.2
171.04510	0.4
173.04546	4.0
173.06038	0.3
175.04007	0.2
177.01907	0.2
178.02792	0.1
178.99791	0.2
179.03436	0.1
182.03813	0.1
182.06363	0.1
183.04482	0.4
185.02409	0.2
185.06079	1.3
187.03973	1.6
187.07541	0.4
189.05507	0.5
191.05594	13.6
192.05956	0.4
195.04456	0.3
197.06047	0.7
199.03992	0.5
200.04805	0.2
201.05505	0.2
211.03970	1.4
212.04854	0.2
213.01945	0.2
213.05542	1.2
215.03523	0.2
226.02567	0.2
227.03481	16.9
228.03923	0.6
229.05032	7.2
231.10188	0.3
239.03453	1.0
240.04279	0.4
241.05013	1.0
243.02902	0.2
255.02963	30.5
256.03610	2.5
257.04517	3.8
257.08099	0.7
267.02893	0.4
269.04562	0.3
275.09076	0.1
283.02536	0.3
284.03244	41.2
285.04016	52.0
286.04364	1.4
293.10229	0.7
299.05890	0.2
327.05148	0.9
337.30322	0.1
370.08994	0.2
437.14432	0.2
449.14539	3.1
467.15549	11.1
468.15741	0.5
495.96841	0.1
555.20605	0.3
593.15051	100.0
594.15387	5.4
1061.30774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
76.47198	0.1
83.01388	0.3
85.02934	0.3
87.00893	0.2
91.01886	0.2
93.03468	1.3
107.01395	1.4
108.02170	0.7
109.02970	0.6
119.05042	0.2
120.77066	0.1
121.02951	0.8
124.97028	0.1
125.02483	0.3
135.00883	0.4
137.02437	0.2
145.02943	0.2
146.03709	0.2
148.01668	0.6
149.02399	0.3
151.00381	5.8
152.00961	0.2
159.04550	0.3
161.02446	0.2
163.00414	1.1
163.04013	0.4
164.01158	0.3
165.01872	0.1
167.03546	0.2
169.01465	0.3
173.04527	0.5
173.05923	0.2
178.99852	2.8
183.04512	0.2
187.04030	0.3
187.07634	0.3
191.05612	2.9
192.00647	0.2
193.01360	0.2
199.03947	0.3
201.02043	0.2
203.03571	0.2
207.02994	0.5
209.04521	0.1
211.04004	0.4
213.02066	0.2
213.09201	0.1
214.48792	0.1
215.03517	0.2
216.04262	0.3
226.02701	0.9
227.03499	1.5
228.04179	0.2
229.05034	0.3
243.02988	5.9
244.03706	0.3
245.04596	0.6
250.66194	0.1
254.02162	1.5
255.02992	16.0
256.03470	0.6
266.01871	0.2
271.02478	34.0
272.03033	1.9
273.03918	0.5
275.09351	0.2
283.02521	0.6
299.01932	1.1
300.02753	70.5
301.03494	18.6
302.03815	0.4
313.03723	0.2
343.04712	0.6
449.14548	0.7
493.13052	0.1
521.16669	0.2
609.14606	100.0
610.14941	5.1
1080.26404	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	1057.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
82.79896	0.2
85.02945	1.0
87.00870	0.2
88.60645	0.2
88.84654	0.2
89.03968	1.6
89.73622	0.2
93.03456	0.9
96.96022	0.4
99.00887	1.5
101.03965	1.4
105.03448	0.2
111.00897	0.3
111.04530	0.2
117.03472	6.2
119.05034	15.1
120.05318	0.2
123.04511	0.3
127.04004	0.2
129.03502	0.3
133.02965	1.2
134.03758	1.4
134.76961	0.2
135.04559	0.3
145.02960	72.6
146.03253	1.0
147.04543	1.1
161.02464	2.8
162.03229	8.1
163.03986	0.6
171.10287	0.2
173.02376	0.9
173.04527	0.4
177.05573	88.7
177.62900	0.2
178.05911	1.4
189.01959	0.6
190.02547	0.2
191.03563	0.5
191.05589	4.8
192.06134	0.2
193.05089	0.3
205.05057	100.0
206.05415	1.8
209.11882	0.5
227.03552	0.4
229.59283	0.2
283.13467	0.4
309.14774	0.2
349.54807	0.2
353.13931	0.4
365.10406	0.5
383.11237	0.2
387.04892	0.2
761.33893	0.3
766.95142	0.2
815.35010	0.5
833.36859	0.4
847.38129	0.2
1025.41077	0.3
1057.44141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
75.39054	0.3
83.01406	1.9
85.02953	3.0
87.00893	1.0
93.03469	3.3
96.96018	1.0
98.34890	0.3
99.04536	0.3
101.02473	0.4
107.01397	7.6
109.02977	0.7
111.00848	0.3
111.04519	0.6
113.02401	0.3
117.03465	0.4
119.05041	0.7
123.04532	0.4
124.01670	0.6
125.02446	2.9
127.04035	0.7
131.17201	0.3
133.02957	1.0
134.03732	0.5
135.04488	0.4
137.02451	0.8
145.02946	3.0
147.04633	0.3
149.02425	0.8
151.00380	22.0
152.01172	1.4
153.01906	0.5
156.21840	0.3
159.04517	0.6
160.01653	2.1
161.02451	3.2
163.00380	1.0
163.04037	0.5
166.05072	0.3
168.56702	0.3
169.01434	1.8
171.04526	0.4
172.05319	0.6
173.02399	0.6
173.04547	0.9
173.05939	0.5
174.03156	0.3
175.00500	0.3
175.03976	0.9
176.04860	0.7
178.99872	13.9
180.45558	0.2
183.04495	0.5
187.00380	0.7
187.04031	1.4
187.07681	0.8
188.01198	0.6
189.01904	2.0
190.02660	0.4
190.99858	0.4
191.05623	14.3
192.00673	0.6
192.05954	0.6
193.01364	0.7
195.04573	0.3
197.02402	0.3
197.06102	0.6
198.03177	0.6
199.03979	1.0
200.04805	0.9
201.01964	0.6
201.05602	0.5
203.03474	0.9
205.04878	0.3
207.02937	1.4
210.03127	0.4
211.03987	1.2
212.04826	0.4
213.01981	0.6
213.05478	0.3
214.02756	0.5
214.99907	0.7
215.07130	4.3
216.07626	0.3
217.01447	0.4
223.03963	1.2
223.06003	0.4
225.02040	0.7
225.05643	0.7
226.02724	0.6
227.03561	1.9
227.07083	0.4
228.04272	0.5
229.01463	0.8
230.02179	0.5
231.03030	1.6
235.04015	0.7
239.03491	5.7
240.04312	1.3
241.01405	0.9
241.04980	1.3
242.02290	0.5
242.05763	0.3
243.02931	3.1
243.06680	1.0
245.04524	0.8
251.03510	2.8
252.04102	0.7
253.01315	0.5
253.04994	0.5
254.02278	0.7
254.99341	0.3
255.02956	2.3
256.03665	0.9
263.03491	0.8
263.07092	0.4
265.01404	0.8
267.02954	2.9
268.03763	1.0
269.04553	2.7
271.02493	1.9
272.03241	0.4
273.04065	0.5
277.05118	1.2
278.05814	0.5
279.02997	3.5
280.03757	2.9
281.04315	0.4
282.01669	0.3
283.02356	1.5
284.03375	1.5
285.04099	1.3
287.05725	0.5
290.05853	0.5
291.06650	1.1
295.02530	10.1
296.03271	12.4
297.04044	15.8
299.01968	1.3
300.02771	2.0
301.03668	0.9
302.05865	0.4
303.06512	0.5
304.03790	0.9
305.04721	0.4
305.07977	0.5
306.08826	1.5
307.02505	2.9
307.09702	0.4
308.03189	0.6
309.00488	0.4
309.04037	0.5
311.01971	1.7
312.02631	0.5
313.03506	3.7
317.04486	0.8
318.05286	1.2
319.06116	1.9
319.09351	0.4
320.06772	0.5
323.01947	4.3
324.02713	1.3
325.03470	1.1
329.04681	0.7
330.05429	0.4
331.02405	0.4
331.09741	0.5
333.07703	1.0
335.02014	1.9
335.09216	0.5
340.02258	8.0
341.03018	46.2
342.03317	1.2
345.03989	0.5
346.04633	0.5
347.05731	0.6
347.09235	1.6
348.06506	1.0
351.01385	2.5
353.03394	0.4
357.07550	0.4
359.09195	1.1
361.07480	0.5
363.01428	0.7
371.05710	0.5
375.08780	0.7
376.09567	0.5
377.06015	0.3
377.10385	3.9
383.03827	0.5
387.04602	0.5
387.08969	0.4
403.08142	0.8
415.04648	0.5
416.05020	0.4
433.05359	0.4
434.06808	0.3
435.07196	0.7
442.03412	1.0
443.04153	0.6
447.09448	0.6
459.03714	0.8
479.06808	0.3
486.09485	0.5
487.10330	4.2
511.10272	0.4
513.12195	0.3
539.09650	1.0
549.15381	0.4
557.10901	9.6
558.11505	0.6
579.73566	0.4
593.14905	0.5
607.12732	0.4
609.14880	1.1
649.14087	16.6
650.14636	1.0
652.10480	1.1
703.19720	0.4
749.17139	1.3
767.14771	0.8
768.15686	0.7
795.21478	8.6
796.21674	0.4
821.23749	0.3
825.21063	0.3
837.22211	0.3
847.20496	0.8
865.22021	100.0
866.22290	7.7
959.20917	0.4
960.23779	1.4
1057.27649	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	1057.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01410	0.8
85.02953	0.3
87.21976	0.1
93.03486	0.7
107.01398	2.6
108.02187	1.2
109.02972	1.4
115.57616	0.1
119.01416	0.2
119.05039	0.2
121.02978	1.5
125.02436	0.3
131.57143	0.1
132.02208	0.3
135.00887	0.8
135.04501	0.2
145.02934	0.3
147.00833	0.2
148.01666	1.1
149.02423	0.3
151.00380	10.1
152.01109	0.6
153.01953	0.6
157.06622	0.2
159.04512	0.4
161.02449	0.6
161.04622	0.2
162.03113	0.2
163.00383	2.4
163.04018	0.3
164.01123	0.5
165.01930	0.3
169.01485	0.4
169.55275	0.1
171.04465	0.3
173.04680	0.2
173.06049	0.2
174.03316	0.3
178.99860	4.8
183.04547	0.4
185.02489	0.3
185.06067	0.3
186.03127	0.2
187.04033	0.8
189.01947	0.2
189.05531	0.2
190.99873	0.3
191.05612	2.6
192.00728	0.2
193.01410	0.2
197.06201	0.2
198.03229	0.2
199.03990	0.6
201.05554	0.4
203.03525	0.4
211.04015	1.2
213.01888	0.3
213.05521	0.2
215.03464	0.6
216.04202	0.3
226.02739	1.2
227.03493	11.4
228.04050	0.7
228.18486	0.2
229.01459	0.4
229.05026	1.9
239.03468	0.7
240.04243	0.2
241.01472	0.2
241.05000	0.3
242.02112	0.2
243.03000	7.6
244.03596	0.5
245.04465	1.2
254.02206	1.8
255.02991	39.5
256.03546	2.2
257.04501	1.1
266.02078	0.2
269.04449	0.2
270.01761	0.3
271.02475	46.0
272.03033	2.3
273.03885	0.8
283.02539	1.4
284.03268	31.3
285.04028	11.8
286.04398	0.2
295.02490	0.3
296.03125	0.3
297.03998	0.4
298.01062	0.2
299.02002	1.4
300.02756	87.0
301.03516	37.1
302.03714	0.9
327.05072	0.5
337.03574	0.8
339.05048	0.2
340.02167	0.2
341.03006	0.4
343.04471	0.3
447.11380	0.5
449.14322	0.2
461.06973	0.5
462.07596	0.6
463.08817	100.0
464.09085	4.5
593.15106	56.2
594.15417	3.3
609.14526	0.5
649.14648	0.8
661.95734	0.2
705.17133	0.3
865.21313	0.7
1008.19135	0.2
1057.26147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.305
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02965	0.2
81.03468	0.6
83.01367	0.4
83.05031	0.6
85.02962	7.4
87.00879	2.7
93.03465	14.7
94.03801	0.3
96.96024	0.9
98.19816	0.4
99.00917	0.2
99.04544	0.5
107.01417	0.6
109.02972	0.8
111.04541	2.5
125.02482	0.3
127.04018	2.0
129.01965	0.4
132.02199	0.3
135.00900	0.3
135.04510	0.4
137.02391	0.4
143.03473	0.2
151.00410	1.8
153.02034	0.3
155.03528	1.0
158.03770	0.5
159.04446	1.2
161.02496	0.3
163.00381	0.8
169.29747	0.2
171.02974	0.8
171.04396	0.3
172.05287	0.6
173.04575	8.6
173.06020	0.8
174.03316	0.4
174.06810	0.3
175.03993	0.4
183.04552	1.1
185.02437	0.5
185.06091	0.5
187.04012	0.6
187.07648	6.1
188.07881	0.2
189.05534	0.5
191.05617	100.0
192.05937	1.9
193.06064	0.3
197.06110	0.3
199.04045	0.6
200.04771	0.9
201.05536	0.4
202.06363	0.5
203.10796	0.5
205.20979	0.2
206.72749	0.2
211.04051	1.0
211.07733	0.3
213.05620	1.0
213.09221	2.8
215.07187	1.3
227.03497	15.4
228.04196	1.5
229.05063	2.7
229.08675	0.8
231.10287	1.3
239.03523	0.6
240.04262	0.3
241.05153	0.4
255.02997	31.3
256.03668	2.1
257.04584	1.5
257.08215	9.8
258.08405	0.3
269.04385	0.2
275.09241	3.5
284.03265	53.6
285.04025	20.9
286.04385	0.6
297.03989	0.3
327.05157	0.8
431.13336	0.5
449.14548	30.8
450.15045	0.9
593.15112	91.2
594.15405	4.7
595.15527	0.4
935.60980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01385	17.1
72.47517	1.0
72.99312	67.5
73.99675	1.4
75.00881	19.9
98.20658	2.7
105.01939	100.0
106.02309	1.8
122.81588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
73.18920	0.0
75.00893	0.1
78.95912	0.1
79.95741	9.0
80.96545	0.1
85.02950	0.1
93.03461	0.1
94.98080	0.0
96.96013	100.0
97.95930	0.1
99.00903	0.0
111.00968	0.1
116.41633	0.0
161.02408	0.1
169.49225	0.0
173.04564	0.1
191.05624	0.2
203.39934	0.0
247.23195	0.0
270.16708	0.0
302.32071	0.0
377.14920	0.0
791.38367	0.0
955.49280	0.6
956.49677	0.2
956.80591	0.1
1053.40405	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	1043.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02965	0.2
73.92831	0.1
81.03468	0.3
83.05034	0.3
85.02953	8.3
87.00877	1.7
87.01373	0.1
93.03461	3.4
95.01354	0.1
99.00885	0.1
99.04530	0.3
100.45194	0.1
107.01399	0.2
109.02966	0.9
111.04518	1.0
113.02480	0.2
125.02411	0.1
127.04013	2.2
129.05522	0.1
132.02193	0.1
135.00877	0.1
135.04562	0.1
137.02431	0.2
143.03485	0.1
143.05119	0.1
151.00343	0.3
153.01961	0.2
155.03523	0.3
157.06589	0.1
158.71603	0.1
159.04514	0.4
161.02386	0.2
163.00354	0.3
169.06520	0.1
171.03000	0.6
171.04414	0.1
172.05307	1.7
173.04562	1.7
173.06032	0.3
174.03189	0.1
178.99832	0.1
183.04503	0.5
184.05241	0.1
185.06061	0.3
187.04140	0.6
187.07651	11.3
188.07986	0.2
189.05573	0.3
191.05609	100.0
192.05949	1.5
195.04555	0.1
196.05354	0.1
197.06013	0.2
198.06851	0.1
199.04013	1.1
200.04807	0.6
201.05461	0.2
202.06335	0.2
204.04295	0.4
211.04089	0.5
211.07677	0.3
213.05539	0.3
213.09209	1.5
214.06288	0.3
215.07115	2.5
226.64294	0.1
227.03493	5.3
228.04282	1.1
229.05066	1.4
229.08601	0.8
230.05611	0.1
231.06636	0.2
231.10287	0.8
232.03847	0.2
233.06679	0.2
239.03477	0.2
239.07103	0.1
240.04361	0.1
241.05045	0.2
255.02989	6.4
256.03735	0.6
256.06354	0.1
257.04712	0.6
257.08188	16.4
258.08499	0.4
267.02963	0.2
275.09256	1.4
283.99957	0.2
284.03259	9.3
285.04044	11.4
286.04474	0.4
327.05136	0.1
405.11807	0.4
431.13525	0.6
449.14526	11.1
450.14899	0.5
458.04962	0.1
544.29840	0.1
593.15100	23.3
594.15436	1.3
641.59204	0.1
815.85413	0.1
907.69623	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	1041.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99301	0.3
73.02930	0.5
81.03455	0.9
83.01409	0.2
83.05038	1.1
85.02956	16.9
85.84746	0.2
87.00877	3.6
89.02457	0.3
93.03463	8.2
95.01398	0.3
96.96009	1.9
99.00862	0.4
99.04513	0.8
101.02455	1.0
108.02171	0.3
109.02960	1.9
111.00875	1.5
111.04526	1.7
113.02454	0.6
115.58662	0.2
125.02441	0.2
127.04014	3.9
128.76369	0.2
133.02975	0.5
134.03804	0.2
134.48988	0.2
135.04527	0.7
137.02425	0.5
145.02972	0.2
146.03722	0.3
155.03514	0.7
156.20430	0.2
158.03778	0.5
159.04523	1.3
160.05246	0.5
161.02426	0.6
161.04625	0.4
163.11319	0.4
165.12862	0.2
171.03067	1.3
172.05315	2.3
173.02490	0.3
173.02971	0.3
173.04541	2.6
173.06018	0.6
174.03178	0.7
175.04037	0.3
179.03477	0.3
183.04489	0.9
185.06056	0.6
186.06851	0.2
187.04033	0.9
191.05615	100.0
192.05939	1.5
197.06082	0.6
198.06848	0.4
199.04012	4.8
200.04799	2.3
201.05528	0.6
202.06352	0.5
204.04315	0.7
209.11835	4.5
211.04008	1.0
211.07765	0.3
213.05539	0.4
214.06314	0.5
227.03502	15.9
228.04250	7.1
229.04893	0.2
232.03673	0.5
237.05743	0.2
239.14403	0.5
255.13863	0.5
267.13889	0.5
281.15558	0.5
283.13406	18.0
284.13736	0.8
285.14978	0.2
297.14886	0.3
299.16431	0.5
301.14456	2.8
307.13321	0.5
309.14954	5.0
310.15036	0.3
311.12903	6.0
311.16394	0.4
325.14450	2.0
327.12354	2.1
327.16046	2.7
328.16470	0.2
329.13892	1.7
335.12921	0.5
343.15271	0.6
345.13275	0.4
345.16977	0.3
353.13943	15.5
354.14523	0.7
371.14987	4.2
445.18564	0.3
521.66663	0.2
537.23688	0.2
563.21344	0.5
565.22833	0.3
589.23633	0.3
607.14545	0.2
607.23859	2.7
621.43146	0.2
623.07361	0.3
722.45679	0.2
773.34088	2.9
774.34705	0.3
775.35425	0.7
789.36249	0.4
791.38086	0.8
793.43677	0.5
799.35577	0.8
805.36456	0.4
817.36536	53.9
818.36774	4.0
835.37592	2.4
849.39148	17.4
850.39569	1.3
867.39423	1.6
879.04492	0.2
991.42236	0.6
997.51007	0.3
1009.42786	7.5
1010.43420	0.8
1023.44598	1.6
1041.45642	15.3
1042.45593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46202	0.6
75.00864	0.4
85.02951	0.7
88.98805	100.0
89.99117	0.5
93.03457	0.4
96.96014	0.7
98.03826	0.3
99.00883	0.7
111.00848	0.6
118.23646	0.3
120.26859	0.3
133.02928	0.4
135.04509	1.8
143.82384	0.3
160.71507	0.4
163.86395	0.4
177.04070	0.3
185.58998	0.3
191.05559	2.1
192.05960	0.5
194.58060	0.4
202.38565	0.3
358.16391	0.4
700.55383	0.4
715.44250	0.8
837.39032	0.5
939.49542	11.5
940.50055	1.4
1011.44061	1.1
1029.43835	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00852	0.0
78.95909	0.1
79.95742	8.3
80.30064	0.0
93.03429	0.0
94.98093	0.1
95.97584	0.1
96.96016	100.0
97.95972	0.1
99.00907	0.0
113.92587	0.0
114.93443	0.1
191.05635	0.2
229.69250	0.0
241.79773	0.0
245.63278	0.0
715.44305	0.0
939.49915	0.3
940.49695	0.0
1037.42322	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	1015.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	0.9
72.99302	0.2
75.00873	1.4
77.84027	0.1
82.53180	0.1
83.01384	0.3
85.02956	1.4
87.00878	2.0
90.47873	0.1
95.01414	0.1
95.71719	0.1
99.00895	0.3
111.00883	100.0
112.01230	0.9
113.02441	0.8
115.00383	0.1
154.99867	0.2
173.00908	15.7
174.01236	0.2
175.02473	0.1
191.05577	0.1
229.05226	0.1
233.41286	0.1
244.98752	0.1
455.31644	0.1
485.32550	0.1
503.33902	0.3
599.35663	0.1
617.36780	0.2
619.52545	0.1
679.36908	0.4
841.42249	13.6
842.42438	1.1
883.42950	0.2
1015.43890	1.3
1016.44525	0.2
1040.89136	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	1018.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	6.5
72.99281	0.4
73.02940	1.7
75.00475	0.5
75.00874	7.1
80.12239	0.4
83.01395	0.8
85.02952	7.7
87.00864	1.5
89.02422	1.3
89.43143	0.4
92.59024	0.4
93.03461	1.7
95.01410	0.7
96.96014	1.0
99.00878	7.5
99.04455	0.4
101.02432	1.1
103.04061	0.4
111.00859	1.2
111.59284	0.5
112.15465	0.5
113.02457	4.4
116.67291	0.4
135.04460	0.4
137.02428	0.7
153.11908	0.5
157.01366	1.2
161.02388	0.5
173.04547	0.9
179.03467	0.6
187.11151	0.5
191.05544	1.8
215.13448	0.5
267.07288	0.7
276.49377	0.4
321.25253	0.5
387.82370	0.4
407.33035	0.7
420.88104	0.4
449.14102	0.7
559.02850	0.4
585.38055	0.5
629.37231	0.7
731.43896	1.0
749.45227	0.9
775.43280	0.7
793.43738	2.4
794.45050	0.7
955.49036	100.0
956.49353	11.7
1018.47113	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
82.92301	0.2
85.02946	0.6
91.05566	0.3
93.03460	7.7
96.96020	0.4
99.36788	0.2
101.02441	0.3
107.01380	0.8
107.05019	2.0
107.73604	0.3
109.02950	0.3
111.04468	0.3
113.02445	0.3
117.03491	0.4
119.05024	2.0
121.02949	0.3
125.02449	0.5
128.23877	0.3
132.02176	0.7
133.02969	0.8
134.03728	1.6
135.04510	2.2
137.02431	3.6
137.06075	0.9
145.02995	0.3
147.04570	0.3
148.05264	0.2
149.06064	0.4
151.00317	1.7
153.01913	0.3
157.02885	0.3
159.04440	0.3
160.01672	2.2
161.02440	1.6
161.06172	0.3
163.03993	3.2
173.04636	0.5
174.03180	0.4
175.03987	3.9
176.04732	0.5
178.31816	0.2
178.99849	0.6
181.05084	1.3
183.04539	0.4
185.06075	0.3
187.04030	0.5
191.05588	3.3
191.07182	0.9
193.05057	2.0
207.02982	13.0
211.04031	0.9
213.05556	0.3
224.84601	0.3
227.03487	34.5
228.03931	0.9
229.01454	0.6
229.04953	1.7
235.06088	1.6
239.03401	0.3
241.04828	0.5
255.02971	49.1
256.03622	5.7
257.04468	0.7
265.07095	0.3
284.03250	56.5
285.03983	17.7
293.04544	0.3
295.08249	1.1
327.05042	1.1
337.09235	0.4
339.05106	0.9
343.10379	1.2
344.88104	0.4
447.09290	100.0
448.09583	5.0
462.06418	0.3
501.46100	0.2
519.15021	6.5
520.15710	0.4
530.52435	0.3
532.80182	0.2
545.53754	0.3
563.13995	2.5
563.21362	0.4
684.21582	0.3
778.19775	0.3
849.20612	0.5
900.51135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	3.5
73.02944	0.8
75.00869	0.8
81.03476	1.1
83.05030	1.7
85.02947	19.9
87.00867	5.3
93.03451	12.8
94.03833	0.7
95.01385	1.6
96.96011	3.5
99.00880	0.9
99.04556	1.0
101.02435	1.2
109.02949	3.4
111.00883	1.1
111.04544	3.2
113.02469	0.7
121.71889	0.6
125.02398	0.7
127.04021	4.7
133.02968	3.8
134.03766	1.4
135.04527	10.4
136.04855	0.7
137.02438	1.4
150.03215	0.6
151.03992	1.0
159.04524	1.2
161.02486	5.1
162.02867	0.6
171.02983	2.0
172.05260	3.0
173.04568	3.2
173.05835	0.7
175.03970	0.7
177.02098	0.8
179.03477	2.9
183.04459	0.6
191.05608	100.0
192.05954	1.8
197.06102	1.1
199.03986	6.4
200.04741	3.1
209.11868	3.1
211.03961	0.9
227.03500	18.5
227.07008	0.7
228.04280	7.9
283.13409	17.6
284.13904	0.6
301.14526	3.3
308.08972	1.1
309.14957	5.4
311.12863	5.1
325.14331	0.9
327.12390	1.0
327.16000	2.4
329.13818	1.7
352.08069	3.2
353.13892	13.4
354.14481	0.9
371.15021	4.7
449.14462	3.3
450.15186	1.0
607.23846	1.8
773.33893	2.2
791.38995	0.8
816.34338	0.7
817.36450	54.0
818.36530	4.4
835.37494	3.1
846.84247	0.7
956.48999	0.9
991.41138	1.1
1009.42743	38.1
1010.43164	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	1009.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	3.2
72.99300	0.2
73.02939	0.5
79.95728	0.4
81.03459	1.1
83.01387	0.3
83.05033	1.1
85.02950	19.2
86.81871	0.2
87.00878	3.8
89.02451	0.6
89.36431	0.2
93.02861	0.4
93.03458	8.4
95.01398	0.7
96.96001	1.4
99.00893	0.6
99.04526	0.9
101.02448	0.8
108.02164	0.4
109.02966	2.1
111.00894	0.6
111.04519	2.3
113.02446	0.7
119.03477	0.2
125.02469	0.3
127.04016	4.4
135.04504	0.7
137.02440	0.4
142.62868	0.2
148.49089	0.2
155.03529	0.5
158.03722	0.6
159.04503	1.2
160.05223	0.4
161.02412	0.6
161.04634	0.3
163.03947	0.2
163.11278	0.4
164.02853	0.2
171.02977	1.2
171.04398	0.3
172.05305	3.5
173.04544	2.3
173.06065	0.7
174.03242	0.3
183.04500	1.0
184.05333	0.4
185.06038	1.0
186.03217	0.4
186.06758	0.2
187.04019	1.1
191.05605	100.0
192.05983	1.5
197.06084	0.8
198.06812	0.4
199.04001	6.9
200.04771	3.3
201.05473	1.0
202.06357	0.8
204.04332	1.0
209.11823	4.9
211.03946	1.7
211.07498	0.4
213.05559	0.6
214.06342	0.7
225.05650	0.3
226.02731	0.5
227.03493	19.6
228.04262	8.2
228.06601	0.3
229.04799	0.3
232.03795	0.3
246.05211	0.3
255.13948	0.5
257.15298	0.3
267.13870	0.6
281.15564	0.5
283.13391	25.5
284.13779	0.8
285.14856	0.3
297.14838	0.3
301.03415	0.2
301.14413	4.0
307.13364	0.3
309.14935	4.3
311.09314	0.5
311.12891	7.5
312.13232	0.3
325.14438	2.7
327.12350	1.5
327.15985	2.9
328.12448	0.2
329.13852	1.8
335.13004	0.6
339.15909	0.3
343.15601	0.4
345.13382	0.2
345.17114	0.3
351.12299	0.3
353.13922	17.9
354.14319	0.6
371.14996	4.5
427.17740	0.3
449.14569	0.7
537.24146	0.2
545.20117	0.2
559.15015	0.3
560.14044	0.3
565.22662	0.5
581.26178	0.3
589.22931	0.6
607.23944	4.0
710.60107	0.3
747.36108	0.8
773.33954	5.9
774.34540	0.4
775.35425	0.5
778.86792	0.2
791.38464	1.3
799.35052	1.2
817.36481	74.3
818.36707	5.7
835.37555	4.2
835.52209	0.4
836.36914	0.4
948.51971	0.2
949.53436	0.9
965.39447	0.3
991.40253	0.3
1009.42828	17.6
1010.43506	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	4.2
73.02959	0.8
74.08739	0.3
77.03984	0.5
81.03452	2.1
83.01378	0.4
83.05018	2.1
85.02948	10.8
87.00880	9.9
87.01326	0.2
93.03456	60.5
94.03793	0.8
95.05032	1.5
96.96014	1.4
97.02968	0.5
99.00906	0.9
99.04514	1.1
101.02457	0.4
105.03445	4.5
107.05022	0.8
108.02173	1.3
109.02958	4.6
111.00900	1.3
111.04510	7.5
113.02449	0.9
117.03473	0.3
121.02942	2.6
122.03766	0.6
123.04504	1.2
124.01669	3.0
125.02419	1.4
126.03263	0.5
127.04022	3.3
129.01965	0.7
132.02155	3.4
133.02956	34.2
134.03755	7.0
135.04526	51.6
136.04808	0.6
136.36551	0.3
137.02435	3.8
139.04010	1.7
149.02426	1.2
150.03252	2.3
151.04005	4.2
155.03499	2.2
159.04497	0.8
160.01649	3.3
161.02437	8.3
162.03127	0.6
163.03984	0.4
163.11285	0.4
171.03004	0.8
171.10284	0.3
173.04550	15.7
173.05934	0.5
174.03246	0.4
175.03975	0.6
177.01923	7.2
177.03339	0.6
178.02707	4.1
179.03484	11.5
183.04364	0.3
187.03993	0.5
189.05582	0.7
189.94681	0.3
191.05605	75.4
192.05956	1.3
197.06197	0.4
200.04707	0.4
203.07512	0.4
209.11842	4.0
211.13377	1.9
215.05583	4.3
228.04413	0.4
283.13388	1.1
299.16568	0.6
307.08151	1.1
308.09021	1.4
309.14935	1.9
311.12790	0.4
325.14432	1.1
327.12607	0.4
327.16034	2.2
343.15076	0.4
351.07196	9.3
352.07913	1.3
353.09164	0.6
353.13904	2.8
371.14835	0.7
545.19916	0.4
773.35870	0.8
791.38464	0.6
799.35529	1.6
817.36493	21.0
818.36737	1.1
835.37091	2.9
961.23773	0.4
991.41675	1.6
1009.42773	100.0
1010.42871	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	1007.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69911	1.1
70.70242	0.7
71.01387	14.0
72.99314	1.1
73.02943	2.0
75.00870	8.6
79.95746	1.4
80.96519	1.8
83.01381	2.1
85.02953	10.1
87.00867	1.8
89.02449	7.1
89.20491	0.5
93.03466	5.1
95.01409	3.5
96.96009	4.3
99.00882	12.3
99.04511	0.7
101.02438	6.5
111.00878	1.7
111.04565	1.0
113.02464	7.0
119.03478	1.8
125.02431	0.9
135.04518	1.4
137.02423	1.0
149.02455	0.7
150.03250	2.1
150.82959	0.5
151.03941	0.7
152.01041	0.7
161.04588	1.2
163.04008	0.7
165.05522	1.4
173.04550	1.9
177.01988	1.0
178.99942	0.6
179.03558	0.9
181.05016	0.5
191.05623	11.7
192.05962	1.3
195.06638	0.9
347.48947	0.7
407.33374	1.4
415.89798	0.6
449.14624	2.0
471.15109	0.7
497.16885	0.7
539.37616	1.0
747.43066	1.1
791.28784	0.7
791.43127	0.7
809.43097	3.9
969.47003	0.7
971.48627	100.0
972.49084	11.4
1007.39642	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	4.7
71.54859	0.6
73.02998	0.8
75.00873	0.9
81.03445	1.9
83.05014	2.2
85.02952	10.1
86.87030	0.7
87.00874	10.0
93.03461	60.0
95.01439	0.7
95.05058	1.3
96.96014	5.1
97.02935	0.7
97.14636	0.7
99.00874	1.8
99.04527	1.0
101.02448	1.0
105.03461	3.4
107.04974	0.9
108.02174	1.4
109.02949	4.3
111.00906	1.5
111.04511	7.2
113.02450	1.2
121.02930	1.9
123.04501	0.8
124.01636	2.0
125.02490	1.0
127.03999	2.3
129.01924	1.5
132.02193	3.2
133.02962	31.6
134.03780	6.9
135.04527	52.5
137.02455	3.7
149.02486	0.7
150.03206	1.7
151.04021	5.1
155.03488	2.6
160.01631	2.8
161.02467	7.5
171.03015	0.8
173.04553	15.8
177.01939	8.4
178.02686	4.3
179.03488	11.1
181.04971	0.8
187.04051	0.9
191.05617	66.6
207.10364	1.8
209.11836	1.0
211.13278	2.0
215.05608	4.0
262.21216	0.7
307.08136	1.3
308.09155	1.4
309.15060	1.2
327.16010	1.7
343.15152	0.9
351.07281	6.8
352.07864	0.8
353.13922	1.9
371.15237	0.9
771.35852	1.3
789.36993	1.2
795.45532	1.3
797.34277	1.3
815.34937	18.0
816.34851	1.8
817.73755	0.8
833.36987	3.3
862.27692	0.9
911.49786	1.0
989.40216	1.4
1007.41241	100.0
1008.41559	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	1002.492
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	3.4
72.99299	0.5
73.02943	0.8
75.00878	6.2
83.01382	0.5
85.02955	3.2
87.00852	0.4
89.02486	0.3
95.01402	0.7
99.00268	0.4
99.00893	6.5
101.02408	0.7
103.04008	0.4
111.00876	0.4
113.02446	1.8
129.29796	0.3
157.01421	0.7
215.61736	0.3
216.33160	0.4
223.56148	0.3
264.53183	0.3
349.35617	0.3
423.32224	0.3
425.89285	0.3
455.35278	2.7
456.35181	0.4
475.44879	0.3
497.36444	0.6
523.37842	0.6
569.38550	3.1
583.39551	0.4
613.37573	2.2
643.42358	1.0
697.78479	0.3
715.44257	5.6
733.44983	1.5
777.44379	4.4
778.44464	0.5
939.49615	100.0
940.49707	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	996.6099
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	2.0
69.07072	9.4
71.04984	2.9
71.08627	18.2
71.30370	1.2
71.56128	1.7
73.02898	4.1
79.05495	11.2
81.03407	6.9
81.07051	24.1
83.01348	1.4
83.04967	4.3
83.08610	13.9
85.02904	14.8
85.06526	2.6
85.10179	12.2
87.04473	2.7
91.03967	6.2
91.05491	7.8
93.07026	7.3
93.74620	1.1
95.04971	2.8
95.08598	20.5
97.02897	6.4
97.06524	3.7
97.10184	12.5
98.08546	1.1
105.07020	2.8
107.04939	1.5
107.08614	6.2
109.06511	1.4
109.10151	41.1
111.08096	2.6
119.08551	4.7
121.10143	3.9
123.08073	1.5
123.11715	3.3
125.09629	10.9
127.03925	2.6
129.05501	1.5
131.08522	1.4
135.11684	2.2
137.09555	1.5
143.10675	1.7
145.04985	3.6
145.10146	2.8
153.12708	2.1
155.10602	1.5
156.30867	1.3
163.06023	3.7
163.11147	5.5
173.11752	10.4
180.08789	1.1
181.12334	1.9
191.10603	1.8
193.12207	2.6
199.13318	7.0
209.11668	5.4
212.18732	1.0
218.36247	1.3
227.12802	8.2
229.14351	42.7
229.16592	2.7
239.23662	4.5
257.24692	1.3
267.15836	3.5
283.15338	4.1
301.16449	21.3
313.27350	100.0
314.27527	1.3
341.26794	2.8
365.20197	1.1
370.44550	1.2
391.54999	1.2
399.23822	13.8
437.36075	3.4
455.37317	13.2
462.64023	1.7
467.30594	2.2
467.37286	38.5
505.38910	1.4
521.38263	3.2
523.40259	1.3
539.39392	15.2
557.40308	4.7
637.46735	47.8
780.35291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	0.7
69.07069	1.5
70.09331	0.9
71.08621	0.3
73.02914	0.2
79.05494	2.1
81.03429	0.4
81.07063	5.2
82.07385	0.2
83.08634	0.8
85.02901	1.6
91.05471	1.6
92.37999	0.2
93.07047	3.7
94.06455	0.2
95.05020	0.4
95.08610	9.1
96.08968	0.5
97.02899	1.5
97.10187	0.7
98.20794	0.2
98.97616	0.4
99.04470	0.2
102.96860	0.3
105.07039	2.3
107.08604	5.3
109.10161	4.1
110.10588	0.3
111.11649	0.3
116.32478	0.2
117.07032	0.3
119.01073	5.7
119.01836	0.3
119.08591	3.7
121.10146	4.5
121.11044	0.3
123.11710	2.5
127.03934	0.3
130.59503	0.2
131.08572	1.3
133.10123	2.9
133.10934	0.2
134.10501	0.3
135.11697	2.9
137.13297	1.9
143.01910	0.3
143.08595	0.3
145.05176	0.2
145.10162	1.9
146.10449	0.3
147.11702	2.2
147.15894	0.2
149.13258	3.0
151.15015	0.2
153.09187	0.5
157.10165	0.3
159.11700	1.1
161.01256	0.4
161.13298	1.0
163.00139	0.2
163.03947	0.4
163.14810	1.2
165.09009	0.3
169.01228	0.2
173.13354	1.0
175.14865	1.7
177.05522	0.3
177.16405	0.8
185.04245	2.7
187.14862	0.6
189.05424	0.4
189.16417	3.7
190.16808	0.5
191.17967	1.9
192.18413	0.6
193.12389	0.3
197.00658	0.4
199.02194	0.5
199.14905	0.3
201.16388	4.3
202.16795	0.6
203.17993	2.4
204.18379	0.5
205.19559	1.8
206.19894	0.3
213.02545	0.3
213.16457	0.7
215.01634	7.9
215.17966	3.6
217.03339	0.6
221.05292	0.3
231.03577	0.5
231.21202	0.3
235.17128	0.4
241.03172	0.4
241.19511	0.3
243.21217	0.7
247.17046	0.5
255.21039	0.4
257.22800	0.3
261.18607	0.9
269.22577	0.3
271.47784	0.2
272.30136	0.3
283.04321	1.0
301.05173	1.4
301.21338	0.3
313.01529	0.4
327.03479	0.4
331.02756	4.4
345.04187	1.3
355.02832	0.6
355.15381	0.3
373.03806	15.4
374.04337	0.3
391.04858	14.8
392.05286	0.3
393.35309	0.6
394.35406	0.3
439.36032	1.0
440.36429	1.0
441.36804	0.4
442.36743	0.3
461.34125	0.5
532.90356	0.3
535.07758	0.4
623.39258	5.8
641.40338	7.6
642.41211	0.4
669.51794	0.2
683.42004	0.4
783.90668	0.3
829.39630	0.9
991.45129	100.0
992.45428	4.6
993.46667	0.3
994.45569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99788	1.1
69.03422	0.5
69.07064	7.9
71.01354	0.3
71.08608	0.4
71.55051	0.4
73.02915	0.8
75.04501	0.3
77.03923	0.5
78.04700	0.3
79.05137	0.2
79.05492	5.0
81.03426	0.5
81.07054	19.5
82.39184	0.2
83.08154	0.4
83.08617	5.5
85.02901	5.3
87.00839	0.2
88.83987	0.2
91.05466	4.1
93.07043	13.9
95.01324	0.9
95.04967	0.7
95.08605	38.8
97.02872	1.2
97.10168	3.9
103.03922	0.6
103.05451	0.3
105.07030	8.8
107.08594	22.5
109.10155	26.5
110.10465	0.3
111.00807	0.7
111.08047	0.4
111.11703	1.2
113.02381	1.1
117.06971	0.8
119.08580	18.1
121.10143	25.4
123.08112	0.3
123.11707	14.6
125.05965	0.3
125.09647	0.3
127.03876	0.4
129.01839	5.9
129.06952	0.3
131.03389	1.1
131.08578	3.0
133.07629	0.2
133.08629	0.3
133.10129	15.8
135.11690	18.7
136.12019	0.3
137.12184	0.4
137.13249	9.1
138.88298	0.2
139.00241	1.0
139.07587	0.4
141.01826	3.4
143.08565	0.6
145.05005	0.4
145.10121	6.4
147.02917	1.9
147.11684	12.1
149.13257	19.3
149.61357	0.2
151.07556	0.4
151.14824	1.0
153.09077	2.2
157.01334	1.1
157.10115	1.0
159.02905	2.2
159.11688	4.2
160.12440	0.5
161.09581	0.3
161.13252	8.6
162.07588	0.4
163.14828	6.9
165.09138	0.7
165.16435	0.3
167.10689	1.0
171.11713	1.0
173.13271	4.1
174.13905	0.4
175.02353	0.6
175.11226	0.3
175.14819	7.3
175.50700	0.2
177.03917	1.7
177.09132	0.3
177.16382	7.0
179.10718	1.4
179.17961	1.8
180.08684	0.8
181.12186	0.4
185.13271	0.9
187.14851	4.0
189.05482	0.4
189.16379	25.6
191.10698	0.6
191.17944	52.2
192.18263	0.8
193.03476	0.8
193.12257	0.7
193.19501	0.8
198.97168	0.2
199.14799	1.1
201.16379	29.9
202.16698	0.5
203.17953	34.0
204.18283	0.7
205.19511	26.8
207.13914	0.4
207.17445	1.2
211.14709	0.4
213.16386	2.3
215.17950	13.2
217.15857	0.7
217.19508	8.4
219.13829	0.3
219.17410	0.8
219.21136	0.6
221.15428	1.2
221.18979	0.7
223.16920	0.5
225.16353	0.3
227.17973	1.3
229.15823	0.3
229.19496	2.3
231.17377	0.8
231.21030	3.0
233.15506	0.5
235.16925	5.5
241.19501	2.2
243.21068	4.3
245.15300	0.3
245.22664	3.4
247.16930	20.8
247.62091	0.2
249.18506	5.8
255.21088	2.0
257.22610	2.0
259.16861	0.8
261.18509	8.3
263.20184	0.2
269.22577	1.9
271.24213	0.2
273.18518	0.5
274.72739	0.2
275.20053	0.9
283.24133	0.6
287.03976	0.7
287.19998	1.1
289.21698	2.1
297.25735	0.5
301.21558	1.0
303.23203	0.3
305.05057	2.9
315.23126	1.8
323.27167	0.3
329.24707	0.5
333.04428	0.6
341.24771	0.4
343.26221	0.6
351.05603	5.6
351.30469	0.4
355.26270	0.8
368.08362	0.4
369.27994	0.4
393.35150	14.8
394.35175	0.3
411.36090	1.0
421.34488	1.0
439.35709	100.0
440.36145	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	986.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99782	0.9
69.03426	0.7
69.07066	9.1
69.57134	1.3
71.01347	0.4
71.08628	0.7
73.02911	0.4
77.03929	0.4
79.05490	5.4
79.05956	0.3
81.03413	0.6
81.07053	20.4
83.08612	5.3
85.02901	9.0
85.10175	0.3
91.05472	5.0
93.07040	15.4
95.01331	0.5
95.04967	0.5
95.08603	40.4
96.08906	0.4
97.02884	1.2
97.06576	0.3
97.10170	4.1
103.04000	0.2
103.05482	0.4
103.41074	0.2
105.04548	0.4
105.06303	0.5
105.07021	9.8
107.08589	23.8
109.06513	0.2
109.10152	25.8
111.00807	1.0
111.08082	0.5
111.11709	1.3
113.02383	1.0
115.05384	0.2
117.07014	1.0
119.08573	19.1
119.94880	0.2
120.08913	0.2
121.10139	25.1
122.10517	0.2
123.08054	0.2
123.11701	14.2
123.51717	0.2
125.09563	0.2
125.13278	0.4
125.36763	0.2
127.03937	0.4
128.95033	0.2
129.01836	5.3
129.07039	0.3
131.03391	0.4
131.08562	4.0
133.10126	15.3
135.11687	20.4
137.13254	9.9
139.00247	1.8
139.07567	0.5
141.01796	1.7
141.02698	0.2
143.08577	0.7
145.04964	0.3
145.10112	8.2
146.10921	0.4
147.02863	2.4
147.11682	12.4
149.05983	0.2
149.13251	20.7
151.07565	0.3
151.11122	0.3
151.14807	0.8
153.09123	2.0
155.08479	0.2
157.01344	1.2
157.10095	1.1
158.91057	0.2
159.02888	0.8
159.11678	5.1
160.12311	0.4
161.09668	0.5
161.13251	9.6
163.07472	0.2
163.13420	0.3
163.14822	6.9
165.09119	0.4
165.16435	0.2
167.10709	0.9
171.11615	1.3
173.13275	5.1
173.14703	0.4
174.13985	0.3
175.02390	1.0
175.14815	7.4
175.16284	0.4
177.09091	0.5
177.16376	6.7
179.10690	1.5
179.17929	1.9
180.08685	0.9
183.11661	0.3
185.13287	0.8
186.14047	0.4
187.14804	3.6
189.16371	24.0
190.16702	0.5
191.10750	0.6
191.17938	48.6
192.18300	0.5
193.12209	0.6
193.15854	0.2
193.19525	0.9
199.14867	1.0
201.16374	29.8
202.16714	0.5
203.17947	30.1
204.18445	0.5
205.19507	28.3
206.19911	0.3
207.13843	0.7
207.17386	1.4
213.16365	2.8
215.17943	16.3
216.18219	0.3
217.19489	9.1
219.13869	0.4
219.17534	1.0
219.21040	0.6
221.15453	1.0
221.19035	0.9
223.16928	0.5
227.17944	1.8
229.19478	1.9
231.17406	0.6
231.21056	3.2
233.15427	0.9
235.16919	5.2
235.19272	0.3
241.19531	2.3
243.21101	5.4
243.23306	0.3
245.15306	0.4
245.22665	2.5
247.16916	22.5
249.18491	5.0
255.21078	2.8
257.22659	2.1
259.16934	0.9
261.18488	9.5
261.21268	0.5
262.18961	0.3
269.22623	2.3
271.24203	0.5
273.18509	0.4
275.19925	1.0
281.22595	0.3
283.24188	0.7
287.20120	1.2
289.21609	3.0
297.25745	0.4
301.21475	1.3
303.22958	0.4
305.05157	0.3
309.25677	0.4
315.23145	1.7
323.27277	0.4
329.24875	0.4
330.21814	0.2
333.04498	1.3
337.28964	0.3
341.24707	0.4
343.26276	0.9
351.05551	9.8
351.30243	0.7
355.26352	0.5
357.27658	0.3
368.08279	0.5
369.28064	0.5
389.90964	0.3
393.35156	14.1
394.35480	0.3
395.36841	0.3
411.36169	0.8
421.34631	1.0
439.35690	100.0
440.36078	2.7
547.37994	0.3
555.40131	0.2
583.39618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.532
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.6
69.07069	5.2
71.01338	0.7
71.04995	9.9
71.08620	0.5
71.53871	0.2
73.02930	1.5
75.04491	1.0
79.05493	3.8
81.03424	1.3
81.07056	11.3
83.04578	0.3
83.04984	3.7
83.08153	0.3
83.08616	3.6
85.02905	22.1
87.04440	0.6
89.62800	0.2
91.03950	0.4
91.05478	4.7
93.07047	9.9
95.01329	1.5
95.04947	0.8
95.08606	23.0
97.02901	3.2
97.06533	0.7
97.10155	1.9
98.74001	0.2
99.00803	0.4
99.04466	1.0
99.08086	0.5
101.02364	0.3
101.06010	0.5
103.03934	0.3
103.05437	0.3
105.04527	0.2
105.06316	0.5
105.07030	10.3
107.08595	17.5
109.02868	1.2
109.06490	0.5
109.10156	14.2
111.04445	2.9
111.08071	0.5
111.11700	0.5
113.02337	0.6
115.03931	0.3
117.05497	0.4
117.06986	1.1
119.08583	19.3
121.06507	0.2
121.10146	17.9
123.08082	0.2
123.11710	6.3
125.02382	0.3
125.06000	0.7
125.09628	0.4
127.03934	1.7
129.05481	8.1
129.06946	0.4
131.08568	3.9
133.10132	16.4
135.11696	12.4
137.13266	3.1
139.07468	0.4
141.01823	5.0
143.08586	1.2
145.04994	1.4
145.10118	5.6
146.08131	0.2
147.06525	4.2
147.11693	11.0
149.05905	0.2
149.13261	7.4
151.03931	0.3
151.14795	0.6
153.09108	0.8
155.08514	0.4
156.09352	0.2
157.10118	1.3
158.10860	0.3
159.02904	1.5
159.11688	5.6
160.12471	0.4
161.04504	0.4
161.05876	0.3
161.13258	9.0
162.07655	0.8
162.98599	0.2
163.03867	0.6
163.06076	1.3
163.07253	0.3
163.14822	4.0
164.09215	1.4
165.01677	0.2
165.16611	0.3
167.10648	0.6
169.10114	0.5
171.06560	0.3
171.11682	1.2
173.13272	2.6
175.14827	3.5
177.05489	0.5
177.09041	0.3
177.12700	0.2
177.16388	5.5
179.14288	1.5
179.17990	0.4
180.08661	3.2
181.12247	0.3
183.11560	0.4
185.13260	1.3
187.14816	4.3
189.05544	0.3
189.16382	6.9
191.17947	44.4
192.18294	0.4
193.15907	0.8
197.13234	0.4
199.14877	1.3
201.16386	7.2
203.17957	22.0
204.18265	0.3
205.15987	1.1
205.19521	3.5
207.17426	0.6
211.14880	0.6
213.03920	0.6
213.07600	0.4
213.16362	1.7
215.17955	1.4
217.16130	0.4
217.19516	8.1
217.21613	0.4
219.17448	1.8
221.19028	0.7
223.16916	1.0
225.16434	0.5
227.17905	1.0
229.16084	0.4
229.19478	1.0
231.05006	0.5
231.08621	0.9
231.17581	0.4
231.21100	3.9
233.15367	0.5
235.17007	0.4
237.18474	2.3
239.18147	0.4
241.19521	0.7
243.20978	0.5
245.15398	0.5
245.22655	0.3
247.16910	0.9
249.18576	0.5
253.19672	0.3
255.21112	0.4
259.16916	0.7
259.20651	0.4
263.16357	0.8
265.17911	1.5
269.06540	0.7
269.22620	0.5
285.25739	0.3
287.07593	1.3
303.19522	0.3
305.08670	2.4
317.20972	0.3
321.08191	0.3
323.09851	1.1
331.13602	0.2
345.24185	0.8
357.24365	0.4
359.25790	1.6
367.30154	0.5
371.25674	1.5
381.35056	0.7
385.27481	0.4
391.33704	1.7
393.23154	0.3
393.35104	0.3
399.28958	0.4
409.34641	6.5
427.35803	1.8
437.34055	3.9
438.34528	0.4
439.35272	0.5
453.33762	0.7
455.35193	100.0
456.35559	1.7
473.36017	0.7
547.37988	0.5
565.38531	0.6
583.39819	0.6
601.41022	0.4
707.22656	0.2
896.97351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	2.7
69.07066	6.9
71.04991	0.5
71.08632	0.7
71.41666	0.9
73.02914	1.7
79.05487	4.7
81.03410	2.1
81.07055	18.8
83.08617	5.4
85.02905	20.5
91.03965	1.3
91.05475	4.1
93.07048	11.9
95.01334	4.4
95.04951	0.7
95.08606	36.1
97.02893	7.6
97.10152	3.4
99.04453	1.0
103.03951	0.8
105.07033	9.1
107.08593	21.4
109.02871	1.7
109.10155	24.1
111.11719	1.5
113.02338	0.7
117.07006	1.0
119.07713	0.6
119.08581	17.0
121.10141	23.5
123.11705	13.6
124.95750	0.4
125.88706	0.5
127.03927	7.2
131.08517	3.3
133.10127	14.8
135.11693	18.2
137.13251	8.0
141.01820	18.3
143.08571	0.7
145.04965	15.2
145.10141	6.6
147.11676	11.2
149.12039	0.9
149.13254	18.7
151.14876	1.1
153.09116	2.1
157.10069	0.8
158.84743	0.4
159.02913	4.2
159.11682	4.4
161.13261	8.9
163.03957	0.6
163.06035	8.3
163.14822	5.6
167.10721	1.0
171.11711	0.9
173.13283	4.1
175.14828	6.7
177.03932	0.8
177.05469	0.7
177.16406	5.1
179.10657	1.4
179.18042	1.3
180.08624	0.7
185.13235	0.5
186.14037	0.5
187.14784	2.7
189.05473	0.7
189.16379	21.0
191.17944	43.7
193.19629	0.7
199.14795	1.4
201.14912	0.4
201.16382	29.1
203.17950	32.5
205.19513	23.3
207.17398	1.0
213.16411	1.8
215.17961	12.5
215.32790	0.5
217.15837	0.5
217.19487	7.4
219.17465	0.9
219.21027	0.8
221.15384	1.0
221.19069	1.0
227.17993	1.4
229.19472	1.6
231.17519	0.8
231.21129	2.4
235.16914	3.8
241.19536	1.7
243.21008	4.6
245.22612	2.7
247.16942	16.6
249.18491	5.6
255.21046	1.9
257.22604	1.6
259.16888	0.6
261.18491	6.6
269.22519	1.0
275.20023	1.0
285.10248	0.7
287.20203	1.1
289.21530	2.4
301.21744	0.9
303.06995	0.8
315.23294	1.4
315.81613	0.5
321.08179	6.9
325.11160	0.7
329.24780	0.5
339.09048	0.8
355.26370	0.6
369.27710	0.6
393.35162	11.9
411.36179	1.8
421.34802	0.6
439.35715	100.0
440.36142	2.8
474.18091	0.5
546.79041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.62
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05181	2.6
67.05504	39.2
69.03423	6.6
69.07063	21.7
71.04999	2.1
71.08630	22.9
71.56296	2.2
73.02905	2.3
79.05491	28.9
81.03395	8.5
81.07056	51.8
83.04971	4.2
83.08620	15.0
85.02896	10.6
85.06522	3.2
85.10181	11.3
89.05997	2.0
91.03957	5.0
91.05482	22.5
93.07040	31.8
95.04963	3.8
95.08606	34.5
97.02881	6.3
97.06510	7.0
97.10162	6.7
99.04468	1.9
99.08112	2.1
105.07028	17.5
107.04918	4.1
107.08583	27.0
109.02936	2.5
109.06506	2.4
109.10144	16.4
111.08070	3.0
117.07011	9.6
119.08558	11.6
121.06506	3.3
121.10149	10.2
121.10889	1.9
123.08039	3.1
123.11718	5.8
125.09629	3.7
127.03910	3.8
128.06232	1.8
129.06961	4.7
131.08554	10.9
133.10118	12.3
135.08026	2.8
135.11678	7.2
137.13199	1.7
143.08540	2.8
145.04948	3.4
145.10115	9.0
147.11667	6.4
149.09587	6.7
149.13304	9.0
151.11113	1.9
157.10150	3.6
159.11671	10.1
163.05966	2.2
163.11159	1.9
169.10135	2.1
173.13235	3.6
177.12714	2.0
185.13222	2.6
195.13785	4.1
219.13721	2.7
227.12747	4.7
229.14294	3.0
239.17863	1.8
239.23755	3.4
255.15919	11.5
257.18967	4.7
267.15720	2.8
269.17459	43.8
275.20044	18.7
309.20407	2.5
313.27356	90.3
349.23743	24.6
367.24789	5.4
413.21515	2.0
467.37006	3.1
493.38824	19.4
507.40427	100.0
508.40677	3.0
547.43524	9.1
585.63013	1.8
587.46796	30.1
605.47577	14.0
631.52838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04786	1.9
67.05193	4.2
67.05496	14.6
69.03426	5.5
69.07072	16.4
69.50958	0.5
71.04999	1.1
71.08633	11.4
73.02908	1.4
79.05498	10.3
81.03412	5.1
81.07060	15.0
82.38787	0.7
83.04982	2.0
83.08622	9.9
85.02921	3.7
85.06574	0.8
85.10192	8.1
89.06031	1.1
91.03968	1.2
91.05484	7.9
93.07048	10.0
95.04954	3.3
95.08615	12.2
97.02893	8.1
97.06538	1.6
97.10173	9.9
99.04466	0.6
101.05977	0.7
105.07028	7.1
107.04955	3.9
107.08607	7.7
109.02912	0.7
109.06525	1.7
109.10159	8.1
111.08064	1.3
111.11729	0.9
117.07012	3.2
119.08581	6.0
121.06516	2.4
121.10184	3.4
123.08073	2.5
123.11722	2.4
125.09628	6.4
127.03933	1.3
129.06996	2.4
130.07791	0.6
131.08569	4.6
133.06485	1.4
133.10144	3.6
134.07335	0.8
135.08072	2.3
135.11728	1.4
137.09619	1.7
137.13319	0.7
143.08575	1.9
145.10129	3.4
147.08064	4.2
147.11737	1.7
149.09657	0.8
149.13280	1.6
157.10133	1.2
159.11745	2.0
161.09651	1.8
161.13303	0.9
163.06068	0.8
163.11229	1.2
165.09155	1.2
169.10077	0.8
175.11143	0.8
177.12805	0.7
189.11273	2.6
193.12268	1.8
205.12212	1.6
211.13315	1.6
223.13310	13.7
227.12764	3.5
239.23705	1.2
249.14908	2.0
255.17461	0.9
257.24844	1.1
267.15942	1.7
273.18497	9.7
283.15408	0.7
291.19547	66.6
292.19827	1.1
300.01172	0.6
313.27368	64.2
314.27719	0.7
347.22223	1.8
365.23245	59.9
366.23636	0.8
411.57129	0.6
433.11353	0.6
448.43216	0.5
459.27243	1.2
477.28598	1.1
483.37045	0.7
505.39014	1.0
523.18640	0.7
523.39972	5.3
585.45129	2.0
603.46216	100.0
604.46582	1.8
621.47015	1.2
765.51019	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6306
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	87.5
67.55807	1.8
69.03423	3.7
69.07075	30.6
71.04992	3.0
71.08619	2.5
73.02908	7.1
79.05498	44.3
81.07057	97.7
81.07538	5.2
83.08619	20.9
85.02908	22.3
85.06536	3.6
91.03955	17.9
91.05479	30.3
93.06487	4.1
93.07046	56.0
95.04974	5.2
95.08607	80.3
97.02888	16.3
97.06512	5.7
97.10159	7.0
99.04486	2.6
99.08115	3.2
105.07025	22.5
107.08601	29.9
109.06511	4.5
109.09467	3.4
109.10152	29.9
111.08059	2.3
117.07008	7.1
119.08567	19.7
119.28638	2.2
121.10133	28.8
123.11711	12.3
127.03902	6.8
131.08609	13.4
133.10123	16.9
135.11694	22.4
137.13269	4.1
145.04936	6.4
145.10138	11.2
147.11708	13.6
149.13298	11.5
157.46590	2.5
159.11688	8.2
161.13333	11.2
163.06044	13.4
163.14816	9.6
171.11688	4.1
173.13274	7.0
175.14784	5.9
177.16403	3.8
185.13330	3.4
187.14774	3.7
201.16380	3.0
215.17825	2.8
241.19601	3.1
243.21143	11.4
245.22661	3.8
259.20493	8.2
261.22128	29.9
263.23816	5.2
317.24734	5.3
333.24338	5.3
335.25806	100.0
337.27383	97.2
339.29056	11.1
438.21735	2.2
517.39056	2.3
523.45251	5.3
597.40167	3.8
597.48743	46.1
615.49835	77.7
732.97192	2.4
956.58435	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	940.5838
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05147	1.2
67.05504	17.5
69.03427	2.1
69.07071	19.8
71.04979	1.7
71.08630	3.2
71.23750	0.9
71.55674	1.3
73.02909	1.7
79.05495	11.5
81.03416	56.4
81.07053	22.8
83.04985	3.9
83.08617	24.1
85.02901	4.4
85.06528	1.5
85.10207	1.8
91.03946	3.0
91.05487	12.1
93.07037	10.5
95.04967	16.6
95.08613	18.7
97.02891	3.5
97.06519	2.6
97.10176	11.2
99.04487	0.8
99.08028	1.1
105.07040	7.3
107.04920	4.5
107.08595	6.7
109.06512	2.6
109.10151	8.8
111.08073	6.2
111.11714	2.3
115.05486	1.1
119.08572	8.1
121.06530	2.2
121.10134	12.5
123.08073	1.5
123.11665	2.2
125.09596	1.1
127.03897	2.0
129.07010	5.6
131.08574	6.7
133.06482	2.5
133.10120	4.0
135.08015	1.0
135.11679	6.7
137.09572	1.6
137.13264	1.4
142.07774	2.4
145.04948	1.8
145.10117	2.0
147.08012	3.6
147.11684	5.1
149.09589	4.2
149.13269	2.7
157.10101	7.5
163.06004	4.2
163.11122	1.2
165.12769	1.8
165.16438	1.1
175.11172	7.4
193.12221	19.8
198.24818	0.9
211.13397	0.9
223.13370	0.9
228.32768	1.0
235.13243	1.7
247.24269	1.1
249.14763	1.8
252.03809	0.9
259.13190	1.2
265.25070	1.6
267.15912	99.0
268.16086	1.5
301.14218	2.1
309.12210	0.9
309.17010	3.0
338.28116	1.1
339.28931	100.0
356.22336	0.9
399.11887	1.0
457.36938	3.1
531.40436	93.0
532.40552	2.1
549.41473	20.4
563.43140	1.2
573.41693	8.1
615.42102	1.3
627.42365	3.6
639.42480	3.1
657.43390	2.8
675.44220	2.9
718.16156	1.0
940.55646	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	2.2
69.03423	2.7
69.51947	2.5
71.08633	0.6
73.02922	3.3
79.05504	1.2
81.03435	1.6
81.07053	2.7
83.08627	0.5
85.02906	5.2
85.10188	0.4
91.03961	3.7
91.05480	0.6
93.07060	1.4
95.08607	2.0
97.02900	4.9
97.10187	0.5
99.04449	0.9
101.02399	2.0
107.08633	1.0
109.02865	0.7
109.10193	0.6
115.03945	0.5
121.10220	0.6
123.11750	0.7
127.03938	1.7
135.11661	0.5
145.04996	0.5
185.04274	0.8
203.05347	0.6
243.06151	0.5
243.08563	1.6
291.59460	0.4
313.27417	0.7
335.25751	0.6
347.09286	2.8
365.10657	1.2
405.13727	5.9
405.18594	0.5
476.12546	0.5
484.93069	0.5
497.30933	3.9
519.29297	5.1
519.36182	0.5
659.36035	4.0
681.34790	6.9
775.53156	1.0
937.58612	100.0
938.58710	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	936.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.1
67.05505	71.9
69.03433	11.6
69.07069	39.4
69.66354	8.6
71.04996	9.0
73.02917	4.1
78.04771	1.3
79.05496	79.6
81.03419	88.6
81.07056	90.2
83.04981	28.5
83.08150	2.7
83.08618	43.2
85.02911	43.9
85.06547	6.6
87.04464	1.7
91.03949	6.5
91.05480	75.4
93.07046	66.5
95.04972	42.9
95.08607	37.8
97.02898	14.6
97.06532	21.9
97.10172	16.8
99.04446	3.4
99.08086	5.5
101.02409	1.7
103.05486	1.9
105.07033	61.0
107.04959	18.9
107.08595	50.6
109.02887	4.0
109.06516	14.1
109.10172	19.0
111.04447	5.1
111.08088	18.0
113.05979	3.8
115.05444	3.9
117.07027	18.7
119.04922	1.5
119.08585	47.1
121.06512	7.4
121.10143	27.1
123.08074	9.4
123.11683	4.8
125.06007	1.7
125.09633	15.2
127.03913	6.0
128.06184	3.6
129.05511	2.4
129.07008	20.9
131.08568	35.0
133.06493	5.8
133.10135	40.5
135.08054	6.2
135.11688	13.5
137.09608	6.6
141.06982	2.5
142.07758	5.1
143.08545	6.3
145.04906	2.5
145.06512	2.2
145.10129	23.6
147.08034	5.3
147.11693	32.1
149.09622	23.5
149.13287	8.2
151.11226	2.4
153.12720	1.9
155.08620	2.7
157.10129	22.2
159.11702	15.6
161.09612	2.7
161.13257	7.2
163.05975	1.8
163.11137	10.3
165.12743	5.9
169.10147	5.7
171.11713	5.5
173.04460	3.4
173.11848	2.1
173.13271	7.0
175.11179	25.1
177.12712	3.6
179.14255	3.7
181.12306	1.7
183.11668	5.0
185.13205	2.0
187.11150	3.3
187.14786	2.2
189.11288	8.4
189.12695	1.7
191.14366	1.7
192.56075	1.5
193.12244	66.2
195.13850	4.2
197.13240	2.5
199.14824	1.9
211.13298	83.8
227.12770	27.1
229.14386	3.1
239.17921	4.4
247.20746	1.8
255.15900	6.4
257.19043	12.8
257.21643	2.0
267.15924	43.5
269.17487	25.3
275.20078	50.2
283.15396	2.2
285.16974	86.2
293.21103	4.4
299.19882	1.9
321.24442	1.5
331.22546	1.9
349.23727	53.0
355.22614	1.8
367.24557	3.3
413.21732	2.0
431.29437	1.6
437.25256	3.9
439.26974	7.3
443.27963	3.4
447.27463	11.6
455.26318	5.2
461.28952	37.1
463.30350	2.9
465.28531	17.0
467.31268	1.9
477.28281	2.2
479.30020	82.1
519.33118	3.1
523.34113	2.1
541.35248	40.4
559.36322	100.0
560.36731	2.2
577.37299	17.4
599.30585	3.2
605.33173	2.5
623.34283	7.2
703.39935	3.9
721.41809	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	2.8
67.05511	55.1
67.90427	1.8
69.03416	12.5
69.07075	31.2
71.04990	7.0
71.25625	2.9
77.03895	2.3
79.05502	51.4
81.03423	47.8
81.07060	58.5
83.01344	5.0
83.04993	18.4
83.08625	28.4
85.02914	26.8
85.06528	3.2
91.03983	8.9
91.05489	51.3
93.07051	46.1
93.07639	3.1
95.04972	23.5
95.08614	26.3
97.02908	15.7
97.06514	13.8
97.10184	19.5
99.04459	4.2
99.08108	2.0
103.05511	2.5
105.07040	43.7
107.04973	14.7
107.08605	34.9
109.02901	2.8
109.06509	10.9
109.10165	18.1
111.04449	5.8
111.08105	10.6
115.05436	2.8
117.07009	16.2
119.08586	31.8
121.06500	6.0
121.10139	18.4
123.08095	9.6
123.11695	3.4
125.09621	12.6
127.03920	4.1
129.07013	13.4
130.07779	2.9
131.08600	20.6
133.06458	3.2
133.10133	24.7
135.08026	7.1
135.11691	13.4
137.09605	2.7
142.07819	3.7
143.08575	5.0
145.10149	22.3
147.08031	9.9
147.11697	15.4
149.09615	10.6
149.13290	4.3
151.11179	6.0
153.09236	2.2
155.08495	2.7
157.10159	9.1
159.11705	8.4
161.09610	5.3
161.13275	3.4
162.16849	1.9
163.06065	2.3
163.11212	19.8
165.12686	2.5
169.10149	2.1
171.11685	5.1
173.09662	3.7
173.11818	3.5
173.13237	3.2
175.11160	9.1
179.14281	2.1
185.13275	2.6
187.11125	2.1
189.11145	9.4
193.12247	21.1
195.13731	2.3
197.13315	2.0
205.12195	2.6
209.11823	4.4
211.13283	30.1
223.13307	10.0
227.12788	23.5
229.14322	3.4
229.19351	2.1
249.15010	3.1
253.14427	5.1
257.18951	4.9
267.15985	30.1
269.17398	5.8
273.18430	12.1
275.20087	18.1
279.09738	1.9
283.15402	56.2
285.16983	32.0
291.19559	64.5
293.21088	2.1
299.14752	2.9
331.22769	3.1
347.22296	6.0
349.23825	23.9
365.23224	39.5
365.27502	3.7
437.25357	6.1
453.24771	7.3
459.27197	2.7
463.26996	7.3
477.28427	36.5
495.29169	2.2
539.33685	7.5
557.34802	100.0
575.35858	75.5
575.95264	1.9
578.55438	2.0
621.32416	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	932.6304
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.9
67.05508	35.4
69.03439	2.1
69.07073	11.6
69.37442	0.6
69.69422	1.3
69.69840	2.8
71.05000	1.0
71.08635	18.8
73.02934	3.6
73.03291	0.8
79.05497	17.8
81.03449	1.0
81.07058	41.9
83.04977	0.5
83.08617	10.3
85.02372	0.8
85.02905	16.5
85.06541	1.7
85.10183	10.2
88.08698	0.7
89.06030	1.5
91.03957	10.6
91.05479	10.7
93.07046	24.0
95.04965	1.6
95.08609	37.7
97.02891	7.9
97.06544	1.2
97.10186	4.6
98.21513	0.8
99.04460	0.8
99.08086	1.4
103.07592	1.4
105.07034	7.4
107.08601	15.0
109.06511	0.8
109.10161	16.0
115.03956	0.8
115.56202	0.6
117.07029	3.3
119.08575	6.6
121.10142	13.0
123.11728	6.1
127.03922	4.9
131.08548	7.6
133.10139	7.8
135.11696	10.5
137.13202	3.0
141.82039	0.6
143.92561	0.6
145.04976	4.7
145.10133	5.5
147.11668	4.9
149.13263	6.9
159.11687	4.0
161.13202	3.7
163.06013	8.1
163.14850	4.2
173.13304	5.0
175.14842	1.6
177.16446	1.0
187.14847	2.2
201.16374	0.8
215.17670	0.6
233.22723	1.8
239.23708	2.9
243.21107	9.4
257.24725	1.3
261.22141	36.8
279.23215	1.5
313.27371	100.0
314.27728	1.1
317.24847	5.4
335.25806	78.7
336.26248	0.7
481.43961	0.8
499.44815	0.7
573.48798	46.8
574.49182	1.1
591.49854	12.0
759.30872	0.7
787.06818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
66.52495	0.5
67.05506	50.5
69.03422	2.1
69.07072	5.9
71.01331	0.7
71.04693	0.5
71.04998	4.9
71.08633	20.4
71.55309	0.7
73.02905	2.3
76.39622	0.5
79.05489	6.9
81.03419	5.8
81.06593	1.2
81.07055	17.4
83.04973	2.5
83.08153	1.1
83.08619	13.1
85.02909	6.9
85.06541	1.9
85.10172	9.9
87.04466	37.8
89.06049	0.6
91.03957	3.6
91.05472	4.9
93.07025	4.2
93.28296	0.6
95.04962	1.3
95.08607	15.5
97.02887	5.5
97.06519	0.9
97.10172	10.6
99.04449	6.2
105.07041	1.3
107.04973	1.6
107.08607	3.8
109.02863	0.9
109.06521	0.6
109.10157	49.2
111.04399	0.9
111.08067	2.2
117.07001	0.9
119.08568	4.7
121.10130	1.5
123.11708	2.3
125.09633	5.8
127.03911	2.4
131.08551	1.1
135.11685	1.3
137.09634	1.7
137.13239	1.2
141.28210	0.6
145.04945	1.7
145.10159	1.4
149.29309	0.5
155.10669	4.4
157.10095	0.8
163.06012	1.5
163.11174	1.3
168.20721	0.6
173.04381	0.5
173.11729	14.8
181.12254	1.0
191.10681	0.7
199.13293	5.7
209.11739	0.7
223.13239	0.8
227.12801	2.3
229.14349	56.9
239.23549	3.5
241.14272	1.5
257.13898	2.3
257.24780	0.9
265.14371	0.9
267.15942	4.2
268.16141	0.8
283.15356	1.7
301.16562	0.8
313.27362	68.4
314.27725	1.3
315.18027	11.7
327.28986	1.7
341.26898	6.3
341.30426	0.8
343.88745	0.6
380.10965	0.6
437.36362	2.9
455.37354	9.1
467.37335	100.0
468.37628	2.1
474.93402	0.6
505.38727	2.7
521.38245	2.3
553.40863	2.4
571.41980	1.3
715.46246	1.3
915.93848	0.7
930.50690	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	930.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.3
67.05508	52.5
69.03441	5.5
69.07070	11.8
69.66480	3.7
71.04994	9.8
71.08634	25.2
73.02898	2.5
75.04461	1.0
79.05497	14.0
81.03413	7.2
81.07055	30.8
83.04988	4.6
83.08620	20.3
85.02905	13.4
85.06537	2.5
85.10187	17.3
87.04469	32.8
89.06046	1.2
91.03963	6.4
91.05487	7.3
93.07066	6.6
95.04961	2.4
95.08609	25.8
97.02901	8.0
97.06544	1.3
97.09548	1.6
97.10172	26.2
99.03842	1.8
99.04456	24.3
99.08115	1.3
105.07008	1.7
107.04955	2.4
107.08598	9.4
109.10160	50.1
111.04440	2.6
111.08076	1.8
111.11716	1.7
115.03922	2.0
117.05510	1.7
117.07039	1.9
119.08552	4.5
121.06490	1.0
121.10137	3.6
123.08029	1.1
123.11743	4.2
125.09625	15.9
127.03940	2.0
129.07040	1.1
130.34331	0.9
131.08539	1.5
133.10095	1.2
135.11676	2.6
137.09607	2.6
137.13176	1.8
143.10693	1.7
145.04955	2.5
145.10094	2.4
147.11691	1.3
149.09602	0.9
153.12697	1.6
155.10622	3.4
157.12242	1.0
163.06006	2.0
163.08241	0.9
163.11156	3.4
173.09615	1.0
173.10138	0.9
173.11717	12.3
181.12198	1.2
189.11188	1.3
191.10747	1.4
193.12277	1.7
199.13303	18.7
209.11737	2.4
223.13324	2.4
225.14899	1.0
227.12784	7.9
229.14360	48.2
239.23640	5.2
241.14342	6.8
257.13824	1.2
257.24857	1.2
259.15277	1.1
265.14197	1.0
267.15967	6.9
283.15411	5.3
301.16476	1.1
313.27371	100.0
314.27997	1.0
315.18008	23.4
316.17789	0.8
333.19196	2.6
341.26828	7.8
370.13049	1.0
437.36328	11.8
455.37344	46.0
456.37659	0.9
467.37369	57.6
468.37457	1.8
483.36377	1.5
505.38730	3.7
521.38696	4.6
521.92163	0.9
539.38983	3.2
553.41034	7.7
571.42108	13.0
715.44879	1.0
930.50012	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	930.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	1.3
67.05508	51.5
69.03429	3.5
69.07068	5.9
71.01353	0.5
71.04989	4.3
71.08636	17.5
71.15642	0.9
71.15972	0.6
73.02905	2.2
79.05505	5.6
81.03419	5.4
81.07061	19.8
83.04971	1.9
83.08622	11.9
85.02906	9.0
85.06516	1.7
85.10180	8.7
87.04469	38.7
89.06009	1.0
91.03951	3.9
91.05476	4.3
93.07047	3.4
95.04953	1.8
95.08609	15.9
97.02904	6.5
97.06519	1.1
97.10161	9.3
99.04466	6.7
105.07049	1.2
107.04960	1.6
107.08595	4.4
109.02855	0.5
109.10159	49.5
111.04472	1.3
111.08055	1.9
111.11729	0.7
115.03941	1.2
117.06989	0.7
119.08577	4.8
121.10139	1.4
123.11656	2.7
125.09631	5.7
127.03925	2.6
129.06985	0.7
133.10219	0.7
135.11667	1.1
137.09634	2.1
137.13252	0.7
145.04948	1.8
145.10144	1.6
153.12782	0.7
155.10660	3.8
163.06065	1.1
163.11165	1.5
173.04504	0.7
173.11722	15.4
181.12306	0.6
191.10712	0.9
193.12263	0.8
199.13269	4.7
209.11810	0.8
227.12823	2.2
229.14351	59.3
230.14754	0.7
239.23759	2.5
241.14403	1.9
253.89331	0.5
257.13806	2.3
257.24896	1.4
265.38467	0.7
267.15875	3.8
283.15320	2.7
313.27371	66.7
314.27783	1.6
315.14722	1.0
315.18036	9.9
341.26773	5.6
437.36362	2.8
455.37354	8.7
467.37344	100.0
468.37698	1.9
477.22977	0.8
505.39056	2.9
511.40350	0.8
513.79553	0.6
521.38623	1.5
539.39618	1.2
553.40906	1.9
571.41846	1.6
715.46063	1.8
930.50562	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	4.5
69.03436	2.3
69.07018	0.7
69.07385	0.2
71.01326	0.5
71.04987	0.2
71.08589	0.9
71.55278	0.4
73.02930	3.0
75.92735	0.3
78.32854	0.2
79.05450	0.4
81.03432	1.4
81.07064	2.4
81.79008	0.3
83.08633	1.2
85.02908	4.5
85.10130	0.8
86.41930	0.3
86.69364	0.2
87.04457	0.3
91.03963	3.0
91.05431	0.5
93.07036	0.5
95.08614	2.3
97.02905	4.7
97.06490	0.3
97.10132	0.4
99.04414	1.1
101.00540	0.3
101.02394	1.4
101.02926	0.4
105.06985	0.5
107.08594	0.6
109.02838	0.8
109.10164	4.1
110.10461	0.3
112.99990	0.4
115.03892	0.5
119.08569	0.7
121.10105	0.5
127.03937	1.5
137.09613	0.3
139.14906	0.2
145.04932	0.3
145.10027	0.3
155.10580	0.3
173.11769	1.5
173.13010	0.3
175.61130	0.3
183.13048	0.3
185.04179	1.0
195.09937	0.5
203.05170	0.6
229.14301	1.1
239.23854	0.3
243.08427	1.7
251.12509	0.5
260.77115	0.3
280.35135	0.3
301.16443	0.4
313.27481	0.9
337.27280	1.3
338.27789	0.7
347.09433	2.2
363.09436	0.4
365.10489	1.1
405.13693	4.6
413.17899	7.5
441.17487	0.4
485.20062	0.5
497.30820	4.8
547.23785	0.3
575.23096	10.4
607.19409	0.3
647.25140	0.3
659.36121	7.0
665.24921	0.5
669.41699	3.3
831.47089	100.0
832.47260	2.9
864.31342	0.3
875.50037	0.4
903.49341	0.5
921.49341	19.1
922.48901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5231
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.1
69.03430	2.7
69.07059	0.5
69.38683	0.9
69.39091	0.4
71.01351	0.6
71.04992	0.7
71.08638	1.0
73.02914	2.5
79.05484	0.9
81.03414	2.8
81.03864	0.2
81.07051	1.6
83.01380	0.2
83.04986	0.3
83.08612	0.9
85.02907	4.5
85.10179	0.5
87.04467	0.3
91.03957	2.7
91.05480	1.1
93.07041	0.8
95.04974	0.6
95.08607	1.2
97.02893	3.6
97.06522	0.4
99.04459	0.9
101.02357	1.5
103.03967	0.4
105.07012	0.8
107.08601	0.5
109.02887	0.6
109.06568	0.2
109.10183	0.5
111.08099	0.3
115.03931	0.4
119.08619	0.5
121.10149	0.8
123.04514	0.2
127.03909	1.5
129.05505	0.2
129.07065	0.2
131.08588	0.6
133.10185	0.5
145.05017	0.3
147.11690	0.5
149.09602	0.9
157.10193	0.5
175.11278	0.5
183.06441	0.2
185.04242	0.9
193.12273	0.7
203.05368	0.7
206.13519	0.2
225.14946	0.3
239.23721	0.2
243.08417	1.4
259.07813	0.2
267.15945	0.7
283.15152	2.3
313.27362	1.1
339.17926	0.7
347.09460	2.3
363.08929	0.3
365.10690	1.1
405.13693	4.8
441.20688	0.2
469.20648	0.4
497.30835	5.3
501.23062	9.1
595.41669	0.3
603.25903	0.3
631.25592	0.3
659.36078	5.6
663.28284	9.7
757.46777	2.6
901.49298	0.2
919.52338	100.0
920.52625	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	4.5
69.03436	2.3
69.07018	0.7
69.07385	0.2
71.01326	0.5
71.04987	0.2
71.08589	0.9
71.55278	0.4
73.02930	3.0
75.92735	0.3
78.32854	0.2
79.05450	0.4
81.03432	1.4
81.07064	2.4
81.79008	0.3
83.08633	1.2
85.02908	4.5
85.10130	0.8
86.41930	0.3
86.69364	0.2
87.04457	0.3
91.03963	3.0
91.05431	0.5
93.07036	0.5
95.08614	2.3
97.02905	4.7
97.06490	0.3
97.10132	0.4
99.04414	1.1
101.00540	0.3
101.02394	1.4
101.02926	0.4
105.06985	0.5
107.08594	0.6
109.02838	0.8
109.10164	4.1
110.10461	0.3
112.99990	0.4
115.03892	0.5
119.08569	0.7
121.10105	0.5
127.03937	1.5
137.09613	0.3
139.14906	0.2
145.04932	0.3
145.10027	0.3
155.10580	0.3
173.11769	1.5
173.13010	0.3
175.61130	0.3
183.13048	0.3
185.04179	1.0
195.09937	0.5
203.05170	0.6
229.14301	1.1
239.23854	0.3
243.08427	1.7
251.12509	0.5
260.77115	0.3
280.35135	0.3
301.16443	0.4
313.27481	0.9
337.27280	1.3
338.27789	0.7
347.09433	2.2
363.09436	0.4
365.10489	1.1
405.13693	4.6
413.17899	7.5
441.17487	0.4
485.20062	0.5
497.30820	4.8
547.23785	0.3
575.23096	10.4
607.19409	0.3
647.25140	0.3
659.36121	7.0
665.24921	0.5
669.41699	3.3
831.47089	100.0
832.47260	2.9
864.31342	0.3
875.50037	0.4
903.49341	0.5
921.49341	19.1
922.48901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03877	1.6
67.05428	18.8
68.65488	0.4
69.03351	2.9
69.06987	5.1
70.06535	0.7
71.01308	0.6
71.04916	3.0
71.55702	0.9
72.47810	0.6
73.02855	0.9
79.05410	18.7
81.03417	44.0
81.07055	18.3
81.07484	1.1
83.04976	6.9
83.08618	15.0
83.09068	0.7
85.02898	3.4
85.06469	1.4
87.04392	0.9
91.03870	1.5
91.05479	14.3
93.03332	1.4
93.07042	14.2
95.04968	18.5
95.08600	8.1
97.02879	2.5
97.03339	0.6
97.06529	9.9
97.10159	13.2
99.00787	1.3
99.04391	0.5
99.08018	0.7
103.05423	1.0
105.03291	0.8
105.04440	0.6
105.07037	10.8
107.04951	13.0
107.08593	10.7
109.02805	0.8
109.06519	8.0
109.10150	6.7
111.04446	4.4
111.08077	4.7
113.05925	0.7
115.05363	1.6
117.07013	5.3
119.04887	1.0
119.08582	11.2
121.02795	0.9
121.06507	8.8
121.10142	7.7
123.04414	2.8
123.08076	3.9
123.11611	1.3
125.05961	0.8
125.09636	13.1
129.05394	1.4
129.06999	7.7
131.04834	2.1
131.08569	10.5
133.06506	4.7
133.10135	6.5
135.04330	1.2
135.08047	5.6
135.11604	1.5
137.05885	1.5
137.09532	1.7
139.03807	1.9
139.11102	0.7
141.06949	1.3
142.07690	2.1
143.08542	3.1
145.02759	0.7
145.06499	5.4
145.10101	4.4
147.04326	2.3
147.08052	5.2
147.11681	6.9
149.09604	4.5
151.07492	0.8
153.09087	3.1
153.12672	0.7
155.08615	2.8
157.04962	1.2
157.06386	2.1
157.09013	0.6
157.10132	8.1
159.08049	2.6
159.11572	2.4
161.05904	1.5
161.09618	2.5
163.03798	1.5
163.05977	0.9
163.11192	4.6
165.12660	1.4
167.08414	0.8
167.10588	1.5
169.09955	1.0
171.07954	2.1
171.10207	1.1
171.11569	2.5
173.05891	0.6
173.09528	2.0
173.11810	0.8
173.13213	1.5
175.05984	0.9
175.07451	0.6
175.11197	7.8
177.05399	0.5
177.12650	1.6
181.06323	0.6
181.10025	1.1
183.08002	0.7
183.11584	0.6
185.09541	1.6
185.13217	1.2
187.11067	1.7
187.14728	1.5
189.05437	0.9
189.09207	1.0
189.11118	7.2
189.12749	1.3
191.10667	0.6
191.14249	1.3
193.12244	16.9
195.07918	0.7
195.11588	1.8
197.09502	0.8
197.13213	1.1
199.07492	0.8
199.11140	1.6
199.13123	1.0
199.14845	0.6
201.12520	0.7
203.14238	1.0
205.12146	2.0
209.13324	1.2
211.11160	1.1
211.13148	1.7
213.09338	0.5
213.12675	1.6
215.14238	2.2
217.12132	1.4
219.11829	0.7
219.13795	2.5
223.11275	0.9
223.13199	1.5
225.12810	1.2
227.12645	1.9
227.14401	1.5
231.13698	1.9
233.15396	3.7
235.13193	1.8
237.12694	1.7
237.14850	1.2
239.14497	0.6
241.08505	1.0
241.12126	0.9
241.14304	1.0
243.13811	1.2
245.15491	1.0
249.14742	1.8
255.13686	1.7
257.15366	0.7
259.09598	1.3
259.13165	1.8
267.15912	45.0
273.06027	2.7
273.14716	6.7
273.16989	0.8
275.16278	1.3
281.15396	0.8
287.16513	0.7
289.18073	0.7
291.15918	1.1
293.17374	1.1
321.21826	0.6
339.23306	2.6
349.21640	5.2
357.24164	2.2
367.22629	11.4
385.23715	19.2
403.24792	5.4
437.19876	0.9
441.26276	10.2
447.11203	1.1
459.27408	100.0
460.27899	1.9
477.28482	93.3
478.28693	1.7
489.18787	0.8
491.30081	13.4
493.97943	0.6
501.28586	4.4
509.31119	5.6
513.28217	2.3
517.18561	1.8
519.29773	1.3
531.29517	2.0
543.29510	2.2
555.29395	1.3
567.29553	6.5
573.30823	0.8
585.30640	2.3
603.32141	1.3
691.22968	0.8
808.74829	0.6
835.87317	0.6
857.50854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	0.8
69.03431	3.1
69.07072	0.6
69.43161	2.2
71.01360	0.7
71.05004	0.6
71.08633	1.1
73.02913	2.9
79.05515	1.1
81.03423	2.5
81.07076	1.7
83.04959	0.3
83.08635	0.4
85.02908	5.3
85.10207	0.5
87.81446	0.4
89.36960	0.3
91.03957	2.5
91.05483	0.7
93.07024	1.5
95.08612	1.7
97.02890	5.1
97.06562	0.4
97.10162	0.5
99.04472	0.8
101.02394	1.9
101.83009	0.4
105.07078	0.7
107.04970	0.4
107.08616	0.7
109.10178	1.0
111.04461	0.7
117.07069	0.5
119.08647	0.8
121.10161	1.0
123.11735	0.3
125.06068	0.3
127.03950	1.3
129.06996	0.3
131.08618	0.6
133.10188	0.5
135.11754	1.1
145.10185	0.9
157.10092	0.3
163.11137	1.6
165.70303	0.3
181.12309	0.3
185.04257	0.7
191.10660	0.4
203.05318	0.5
209.11864	0.7
223.13394	1.0
241.14438	0.7
243.08456	2.2
281.13608	2.8
313.27478	1.1
337.16309	1.2
347.09607	2.0
365.10800	0.9
405.13693	5.3
408.44977	0.4
467.19052	0.9
497.30835	4.8
499.21497	9.7
593.40613	0.4
624.22461	0.4
629.24133	0.6
659.36157	4.7
661.26849	6.8
755.45490	2.8
917.50781	100.0
918.50757	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	916.548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	1.4
67.05507	39.8
69.03434	2.6
69.07069	9.2
71.01345	1.1
71.04589	0.8
71.04949	2.4
71.08633	20.4
73.02911	2.5
75.04444	0.6
79.05494	11.8
81.03419	3.9
81.07057	22.6
83.04978	3.6
83.08619	14.7
85.02907	16.7
85.06548	1.9
85.10185	11.6
87.04476	3.8
89.06017	1.4
91.03970	4.4
91.05483	5.1
93.07043	5.3
95.04950	1.6
95.08607	20.9
97.02889	5.3
97.06506	1.5
97.10169	17.0
99.04446	0.8
99.08100	0.6
99.11729	0.6
103.03914	1.5
103.07574	0.8
105.07034	2.8
107.04958	1.8
107.07890	0.5
107.08598	8.0
109.06469	0.8
109.10158	37.9
109.74805	0.4
111.04420	1.1
111.08101	1.9
111.11716	1.0
117.07008	1.3
117.09126	0.5
119.08571	3.6
121.10160	2.7
123.08022	0.7
123.11704	2.7
125.09628	13.6
127.03892	2.4
129.05403	0.4
131.08548	1.5
133.10081	1.2
135.11711	2.1
137.09621	1.3
137.13226	1.2
139.11124	0.7
143.08548	0.5
143.10683	2.6
145.04977	1.7
145.10120	1.9
147.11659	0.4
149.09558	0.6
151.11212	0.4
153.12726	1.3
155.10649	3.2
163.06020	2.4
163.11203	2.2
173.09633	0.9
173.11748	9.0
181.12180	0.9
189.11223	0.8
191.10634	1.7
193.12314	0.9
199.13306	10.2
209.11713	5.0
211.13292	0.4
217.14365	0.8
223.13307	1.2
227.12794	5.9
229.14348	59.5
230.14723	0.5
239.23698	3.6
245.13617	0.5
257.13864	1.5
257.24759	1.5
261.21973	0.6
265.14392	1.2
267.15808	2.1
283.15369	5.8
297.17072	2.3
299.14893	0.9
300.15259	0.6
301.16461	27.4
311.26041	0.5
313.27365	100.0
314.27646	1.2
319.17447	0.6
335.25693	2.1
341.26868	2.2
397.29816	0.5
437.36209	6.0
455.30905	0.7
455.37326	14.2
463.21704	1.4
467.37350	35.4
468.37793	0.6
482.56372	0.4
489.35678	0.9
505.39032	1.7
521.38287	3.2
539.39410	17.1
540.39545	0.4
557.39996	4.6
701.44550	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.5
69.03423	3.9
69.07069	0.8
71.01357	0.9
71.08643	1.5
73.02910	4.0
75.96439	0.4
79.05474	0.7
81.03416	2.7
81.07071	1.8
83.08616	1.0
85.02905	6.3
85.10171	0.7
91.03957	3.9
91.05502	1.4
93.07053	1.0
95.04991	0.7
95.08616	1.2
97.02900	4.9
98.21510	1.1
99.04462	0.7
101.02396	1.6
105.07059	1.0
109.02896	1.0
109.10186	1.0
119.08598	0.6
123.67284	0.5
126.77291	0.5
127.03876	2.1
129.07062	0.7
133.10144	0.7
147.11720	0.7
157.10185	0.5
169.10307	0.5
170.78079	0.4
174.13947	0.5
185.04297	0.9
193.12299	1.0
203.05376	0.5
212.15770	0.4
243.08311	2.0
251.12718	0.8
267.15912	0.6
275.37103	0.4
307.15167	0.7
341.30612	0.6
347.09494	3.0
365.10532	0.7
405.13635	5.6
427.35986	0.5
469.20483	7.8
525.33856	5.2
533.28394	0.4
631.25842	8.1
687.39325	4.5
753.47858	2.1
915.52820	100.0
916.53375	3.0
917.93445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.0
67.05506	40.1
67.29499	0.3
69.03430	2.9
69.07068	9.5
69.23258	0.8
69.23677	3.2
71.01353	1.0
71.04993	2.0
71.08633	20.2
73.02921	2.4
75.04482	0.8
79.05493	12.5
81.03415	3.6
81.07057	22.5
83.04980	2.8
83.08620	13.8
85.02907	20.3
85.06551	1.8
85.10184	11.4
87.04462	5.1
89.06026	1.6
91.03958	4.9
91.05483	5.3
93.07050	5.6
95.04980	1.6
95.08607	21.8
97.02895	6.8
97.06518	1.3
97.10170	21.6
98.21524	0.9
99.04478	0.7
99.11742	0.6
103.03939	1.1
103.07588	1.0
104.45721	0.4
105.07019	2.0
107.04978	1.9
107.08598	7.6
109.02880	0.7
109.06508	0.7
109.10159	34.8
111.04434	0.8
111.08081	1.8
111.11735	0.5
117.07011	1.0
119.08585	2.8
121.06525	0.6
121.10141	2.1
123.08071	1.1
123.11714	3.4
125.09631	17.8
127.03943	2.3
129.05438	0.5
131.08542	1.8
133.10144	1.1
135.08012	0.4
135.11713	2.3
137.09604	1.5
137.13246	1.1
137.63472	0.4
139.11136	0.4
143.10678	3.5
145.04997	2.4
145.10098	2.0
147.08047	0.5
149.09668	0.9
151.14752	0.6
153.12782	1.4
155.08492	0.4
155.10645	3.4
163.06000	2.2
163.11180	3.4
173.09540	0.7
173.11751	8.8
181.12273	1.0
189.11139	0.4
191.10664	1.8
193.12273	1.0
199.13295	11.9
209.11752	4.0
217.14328	0.9
227.12794	12.9
229.14354	46.5
230.14746	0.4
239.23691	3.9
241.14339	0.4
245.13808	0.4
257.13849	1.1
257.24771	1.8
261.80811	0.4
265.14426	0.9
267.15991	2.2
283.15393	5.4
299.14908	1.0
300.15256	0.5
301.16458	33.6
313.27365	100.0
314.27594	2.1
319.17514	1.3
341.26981	2.1
397.29474	0.5
437.36249	7.1
455.37326	16.5
463.21573	0.9
467.37357	28.3
468.37726	0.6
503.37796	0.5
505.38626	1.5
516.33630	0.4
521.38293	2.8
533.20557	0.4
539.39435	19.2
539.47711	0.9
540.39954	0.5
557.40576	5.6
701.44305	1.4
767.48535	0.4
950.56348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.7
67.05500	11.8
69.03426	1.7
69.07061	6.2
71.04977	1.8
71.08627	16.8
71.42384	0.5
71.42728	0.3
73.02911	1.3
76.71039	0.4
79.05490	7.4
81.03413	56.2
81.07051	15.7
83.04966	3.7
83.08614	18.1
83.09117	0.4
85.02900	5.6
85.06533	0.8
85.10181	11.9
89.06020	1.1
91.03954	3.3
91.05474	9.2
93.07043	4.9
95.04964	16.3
95.08603	16.7
97.02893	4.3
97.06536	0.9
97.10159	4.3
99.04421	0.4
99.08054	0.4
99.11692	0.4
103.07569	0.5
105.07025	7.6
107.04948	4.2
107.08599	2.3
109.02879	0.6
109.06503	2.0
109.10150	6.9
111.04443	1.2
111.08068	4.8
111.11705	0.6
115.05434	0.8
117.07017	1.0
117.09156	0.6
119.04948	0.9
119.08581	7.5
119.09373	0.8
121.06496	1.9
121.10133	3.6
123.04421	1.4
123.08048	1.2
123.11697	3.0
127.03921	1.4
129.06996	6.0
131.08566	5.1
133.06491	1.7
133.10133	2.4
135.08012	0.5
135.11700	0.9
137.09622	1.1
137.13263	0.9
142.07823	1.0
145.04955	2.0
145.10118	1.7
147.04408	0.8
147.08029	2.4
147.11682	4.2
149.09604	3.3
151.14870	0.6
152.35222	0.3
157.10120	6.2
163.06018	2.9
163.11205	0.9
165.12756	1.4
175.11174	8.0
193.12233	22.5
205.12201	0.8
211.11565	0.4
211.13356	1.6
235.13237	1.5
239.23747	2.2
249.14882	1.8
257.24722	2.1
259.13266	1.8
267.15897	100.0
268.16159	0.9
273.14697	0.9
301.14340	2.4
309.16931	2.9
313.27341	98.1
314.27750	1.0
319.15591	0.7
333.16959	0.8
341.83868	0.4
375.17908	0.7
381.92938	0.4
393.19180	0.6
505.38852	86.1
506.39084	1.6
523.39935	4.2
547.39923	7.2
565.40790	1.2
571.40552	0.5
589.40747	1.5
601.41248	2.8
613.41077	1.9
630.07361	0.5
631.41992	2.5
649.42719	1.8
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
67.05504	11.4
69.03423	2.0
69.07067	6.1
69.53856	1.2
69.54267	0.8
71.01350	0.4
71.04983	1.4
71.08630	19.0
73.02921	1.3
75.04468	0.3
79.05492	6.2
81.03416	54.3
81.07057	15.5
81.07454	0.3
83.04984	3.1
83.08617	17.4
85.02904	5.3
85.06539	1.1
85.09666	0.6
85.10181	11.0
87.04482	0.4
89.06035	1.2
91.03954	3.7
91.04905	0.6
91.05479	9.6
91.06024	0.7
93.07040	5.3
95.04967	16.7
95.08603	15.0
97.02882	4.1
97.06528	1.1
97.10171	5.4
99.04441	0.5
99.08114	0.7
103.07593	1.1
105.07018	7.3
105.07699	0.5
107.04945	3.7
107.08602	2.8
109.02886	0.6
109.06524	2.2
109.10149	7.1
111.04465	1.2
111.08073	4.8
111.11703	0.9
113.06065	0.3
115.05437	0.5
117.07041	0.9
119.04940	0.7
119.08578	7.8
121.06522	2.0
121.10149	3.6
123.04450	1.0
123.08073	1.0
123.11707	2.6
125.09645	0.5
127.03934	1.6
128.06247	0.5
129.06996	5.9
131.08562	4.6
133.06494	2.0
133.10127	3.3
135.08054	0.6
135.11662	0.7
137.05962	0.4
137.09613	1.2
137.13275	0.9
139.14886	0.4
139.22076	0.4
142.07797	1.3
145.04993	1.6
145.10129	1.3
147.04440	0.7
147.08014	1.8
147.11676	5.0
149.09610	3.6
149.13185	0.3
151.11113	0.4
151.14783	0.4
157.10127	7.5
163.06013	3.0
163.11212	1.2
165.12770	1.5
165.16455	0.5
175.11182	7.2
193.12244	22.6
205.12303	0.9
207.13788	0.5
211.13260	1.0
217.12279	0.3
231.13838	0.4
235.13326	1.2
239.23691	2.2
249.14842	1.1
257.24716	2.2
259.13254	1.7
267.15909	99.9
268.16251	1.0
273.14926	1.0
289.44705	0.4
301.14273	2.2
309.17035	2.9
313.27353	100.0
314.27576	1.7
319.15524	0.6
333.16937	0.7
375.18219	0.5
393.19153	0.5
505.38873	80.7
506.39645	2.1
523.39978	3.3
547.39954	5.3
565.40833	0.7
571.39880	0.4
582.46692	0.4
589.41052	1.4
601.40948	2.6
613.41119	1.5
631.41919	2.5
649.42987	1.6
914.51508	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	912.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.9
66.81844	0.5
67.05503	16.3
69.03390	2.3
69.07069	7.6
70.30743	1.6
71.01302	2.1
71.04980	4.0
71.08632	18.4
73.02865	2.5
78.11256	0.5
79.05492	15.9
81.03416	18.7
81.03883	0.8
81.07052	22.5
83.01318	1.3
83.04982	8.7
83.08615	11.5
85.02903	11.3
85.06498	2.2
85.10175	11.3
88.38838	0.5
89.06004	1.3
91.03949	4.3
91.05481	9.5
93.07040	15.9
95.04959	6.2
95.08601	21.2
97.02895	10.4
97.06524	6.1
97.10171	5.3
99.04410	2.4
99.08057	0.5
99.11664	0.6
101.56010	0.5
103.07538	1.4
105.04512	0.8
105.07017	4.8
107.04952	14.6
107.07858	0.7
107.08580	8.2
109.02847	0.8
109.05902	0.6
109.06504	6.1
109.10169	7.8
111.03738	1.1
111.04436	15.5
111.08119	2.9
111.11639	1.6
111.12357	0.5
113.05976	1.5
117.07015	6.1
117.11464	0.6
119.07814	0.6
119.08582	7.9
121.06502	4.9
121.10136	7.4
123.08056	5.1
123.11733	3.5
123.12427	0.7
125.05968	5.3
125.09638	0.8
127.03863	2.3
129.06941	2.1
131.04883	0.8
131.08572	5.7
133.10069	1.6
135.07971	1.8
135.11693	12.6
137.09554	2.1
137.13199	0.9
138.42195	0.5
139.07430	0.6
145.04921	2.0
145.06410	1.5
145.09064	0.9
145.10129	14.3
147.08032	3.0
147.11618	0.7
149.09605	1.4
149.58885	0.5
149.64616	0.5
153.06833	0.6
153.11674	0.7
153.12746	8.3
155.08502	1.5
158.04886	0.6
161.09612	0.6
163.06039	1.3
163.11180	26.4
165.09053	0.7
173.09628	6.9
177.12721	1.3
181.12233	4.3
182.86659	0.6
191.10652	9.1
195.13770	0.8
197.15796	0.7
203.97643	0.6
209.11703	8.7
223.11183	0.7
223.13297	16.3
227.12753	4.8
239.23668	1.9
241.14336	23.9
245.02489	0.6
257.24731	1.8
265.14346	13.6
283.15390	28.4
297.16907	1.8
313.27347	73.4
314.27866	0.6
315.18008	45.0
327.28912	1.4
459.21985	1.4
503.37308	12.3
521.38367	100.0
522.38336	1.5
533.35901	0.6
535.39948	1.9
539.39301	1.6
553.40985	61.2
554.41351	1.1
687.03632	0.6
697.44818	0.7
739.29401	0.6
799.32605	0.7
912.50256	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	911.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03311	0.3
66.39597	0.4
67.05505	2.3
69.03436	2.9
69.07072	1.0
69.78594	2.2
71.01351	0.5
71.05004	0.7
71.08646	0.6
73.02927	3.6
79.05503	2.0
81.03426	2.2
81.07062	2.1
82.59454	0.4
83.01355	0.6
83.05010	0.4
83.08633	1.3
85.02910	5.2
85.10172	0.4
91.03961	3.9
91.05502	1.3
93.07070	1.6
94.69384	0.4
95.08619	1.7
97.02892	5.1
97.10197	0.8
98.20746	0.4
99.04463	0.7
101.02380	1.8
103.03986	0.8
105.07021	0.6
107.04976	0.6
107.08601	1.0
109.02895	1.0
109.10181	0.9
115.03976	0.5
119.08604	0.8
121.10174	0.8
123.08102	0.4
127.03933	1.7
131.08614	0.7
135.08057	0.4
135.11714	0.9
145.04982	0.7
145.10173	1.2
149.13298	0.7
163.11240	1.3
185.04306	0.8
203.05383	0.6
207.26790	0.5
209.11656	0.4
243.08484	1.7
283.15439	0.8
313.16718	0.5
313.27509	1.2
339.28986	1.1
347.09439	1.9
365.10809	1.1
405.13742	4.6
467.18900	8.1
523.32306	3.9
603.97168	0.4
629.24176	6.6
685.37708	4.2
749.44470	1.7
911.49713	100.0
912.50116	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	910.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.7
66.10305	0.4
66.22623	0.3
67.05503	12.2
69.03434	2.4
69.07061	7.0
69.26210	2.2
69.26637	1.2
71.04989	1.9
71.08630	12.5
73.02916	2.4
77.42387	0.4
79.05490	9.8
81.03416	31.1
81.07051	18.3
81.19174	0.4
83.04974	5.8
83.08614	15.6
85.02903	17.8
85.06496	1.1
85.10181	8.5
87.04454	0.6
89.05984	1.0
91.03422	0.4
91.03949	4.7
91.05476	14.8
93.07040	8.0
95.04383	0.4
95.04965	10.8
95.08604	12.9
97.02879	6.0
97.06528	1.7
97.10159	5.3
99.04430	0.6
99.08038	1.0
99.11671	0.4
105.04545	0.4
105.07022	9.9
107.04959	2.8
107.08579	3.1
109.02843	0.4
109.06512	2.1
109.09472	0.4
109.10156	5.2
111.04419	1.0
111.08064	5.7
111.11700	1.0
113.05988	1.3
115.05419	0.6
117.07018	0.7
119.08575	9.0
121.06483	0.7
121.10139	4.4
123.08012	1.1
123.11706	2.9
125.09608	0.8
127.03864	1.4
129.07001	5.4
131.07742	0.4
131.08562	5.7
133.06415	1.3
133.10124	5.5
135.11655	0.6
137.09570	1.4
137.13237	1.0
142.07733	1.5
145.04967	2.2
145.10097	0.7
147.07988	1.7
147.11691	7.6
149.09595	3.3
157.10121	8.1
163.06039	2.2
165.12704	1.3
175.09796	0.5
175.11179	6.4
193.12233	22.7
211.13278	38.1
267.15903	14.5
267.26837	0.7
285.16943	55.4
286.17209	0.8
313.27203	0.5
341.30487	52.7
342.30832	1.0
357.00650	0.4
533.42029	13.4
543.60492	0.4
551.43054	100.0
552.43561	2.4
686.24646	0.4
695.46368	0.7
705.13373	0.4
806.67035	0.5
819.28699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.8
67.05505	19.3
69.03436	3.4
69.07069	17.9
71.04991	2.9
71.08616	2.2
71.55930	1.1
73.02904	2.4
79.05495	13.6
81.03416	31.5
81.07054	23.3
83.04982	8.2
83.08618	23.4
84.06226	0.5
85.02902	18.9
85.06523	1.7
85.10180	1.2
87.04454	0.8
91.03957	5.9
91.05485	14.9
93.07040	12.2
95.04967	12.1
95.07991	0.8
95.08604	17.0
96.04516	0.6
97.02884	5.0
97.06523	2.6
97.10155	8.5
99.04462	1.0
103.05476	0.7
105.07034	12.7
107.04959	3.1
107.08602	6.2
109.06490	2.2
109.10152	7.9
111.04446	1.3
111.08079	6.5
111.11729	1.6
113.05994	1.7
117.06992	1.3
119.01944	0.6
119.08570	8.9
121.06480	0.8
121.10136	8.7
123.08052	0.8
123.11703	2.4
125.09623	1.4
125.13262	0.6
127.03873	1.4
129.06996	4.9
131.08565	6.7
133.06456	1.3
133.10136	5.6
135.11678	4.0
137.09624	1.6
142.07790	1.5
145.04910	1.7
145.10133	1.2
147.08029	1.5
147.11691	8.7
149.09703	3.0
149.13258	1.5
155.08655	0.5
157.10117	6.9
163.06024	2.3
163.11201	0.9
163.14876	0.9
165.12750	2.0
175.11200	8.0
192.06953	0.5
193.12253	22.4
201.12654	0.6
211.13292	37.2
220.15707	0.7
265.25320	1.4
267.15930	13.3
285.16965	55.7
293.17346	1.1
313.27487	0.6
318.56000	0.6
339.28940	49.9
340.29556	0.8
382.09140	0.7
433.03735	0.6
491.37308	2.6
504.32089	0.6
531.40509	14.5
549.41504	100.0
550.41754	2.2
738.35260	1.9
908.48584	2.7
916.22809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	8.8
69.03406	0.8
69.05786	0.3
69.07071	5.5
70.01242	1.5
70.01576	0.4
71.01334	0.8
71.04993	1.9
71.08633	13.0
73.02914	1.9
78.69497	0.4
79.05495	9.5
81.03419	5.5
81.07056	12.5
82.46843	0.4
83.00915	0.3
83.01337	4.5
83.04980	4.9
83.08624	8.2
83.09103	0.3
84.78679	0.3
85.02905	9.6
85.06501	0.7
85.10183	7.5
87.04423	0.5
89.06001	1.0
91.03962	6.2
91.05480	6.1
93.07050	12.3
95.04974	2.9
95.08607	11.6
96.04436	0.4
96.15470	0.4
97.02895	6.7
97.06532	2.2
97.10167	4.1
99.04462	2.1
99.08077	0.4
103.07578	0.6
105.03401	0.4
105.07034	3.8
107.04962	3.6
107.08598	5.5
109.06521	4.2
109.10165	5.4
111.04403	1.3
111.08036	1.2
111.11674	1.5
117.07021	3.8
119.08592	3.7
121.06467	1.6
121.10154	4.1
123.08068	4.5
123.11746	1.9
125.05991	0.7
125.09530	0.9
125.13232	0.4
127.03930	2.5
129.06984	0.5
130.07736	0.6
131.08571	1.7
133.10081	1.4
135.08009	1.5
135.11697	6.2
137.09583	1.1
137.13190	0.6
143.08545	0.6
145.04968	2.9
145.06435	0.6
145.09065	0.6
145.10126	9.2
147.08038	1.2
147.11609	0.4
149.09570	0.4
153.12714	1.4
155.08527	0.8
163.06030	3.5
163.09868	0.7
163.11188	12.8
165.16209	0.4
173.09656	1.9
181.12263	1.8
191.10629	1.2
196.09489	0.3
209.11731	4.4
227.12749	2.0
267.26764	0.7
283.15402	100.0
284.15680	0.9
285.27814	1.0
341.30511	71.2
342.30975	0.9
421.48788	0.4
442.91205	0.5
549.41522	51.7
550.41595	1.2
584.76239	0.4
601.61377	0.4
696.87567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5059
Annotation	C21217
Peak:m/z	Relative Intensity
67.05508	5.7
68.05848	0.6
69.03428	3.9
69.07069	2.4
70.00524	0.3
70.89975	0.4
70.90302	0.5
71.01371	0.6
71.05000	1.0
71.08637	0.9
73.02914	3.0
74.87193	0.3
79.05479	3.5
80.05836	0.6
81.03424	3.9
81.07063	4.4
82.07364	0.5
83.04996	1.2
83.08627	1.4
85.02909	6.5
85.06561	0.5
85.10191	0.6
87.04431	0.4
89.30254	0.4
91.03966	3.3
91.05509	2.9
93.07043	3.3
94.07368	0.4
95.04985	1.3
95.08609	3.0
96.08917	0.4
96.33768	0.3
97.02895	5.7
97.06540	1.2
97.10177	0.9
99.04472	0.7
99.08154	0.4
101.02372	0.8
105.07029	2.2
106.07391	0.4
107.04961	0.6
107.08594	1.7
109.02910	1.0
109.06554	0.6
109.10160	3.5
110.10518	0.4
111.08121	0.7
115.03929	0.4
117.06992	0.6
118.00425	0.4
119.08578	1.9
120.08994	0.5
121.10155	2.4
123.08086	0.5
125.09618	0.5
127.03937	2.2
131.08601	1.1
133.10150	1.1
135.08046	0.5
135.11717	0.6
139.11203	0.9
143.08575	0.6
145.05020	0.6
145.10153	0.9
147.11723	0.5
149.09741	1.1
157.10162	0.7
159.11670	0.6
163.11163	1.0
173.11780	0.5
173.13216	0.4
175.11261	0.7
185.04291	0.8
193.12320	1.4
203.05466	0.5
205.58736	0.3
228.13150	0.4
229.14439	0.8
243.08525	1.2
259.08066	0.4
267.15933	0.4
269.13925	0.8
275.19904	0.3
283.15244	0.4
307.94238	0.4
313.27505	1.3
347.09457	2.7
363.09387	0.4
365.10767	1.1
405.13641	5.0
405.18491	0.4
443.18784	4.0
465.90033	0.4
469.20496	1.3
487.21271	3.9
497.30865	5.0
587.23260	0.5
605.24182	4.2
631.25989	1.7
649.26636	6.0
659.36182	7.5
699.42786	1.3
725.44128	0.7
743.45801	1.6
768.51422	0.4
861.48071	2.0
887.50342	1.0
905.50714	100.0
906.51007	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	906.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	11.2
69.03429	1.4
69.07072	16.4
70.60225	1.5
71.01346	0.8
71.04975	1.9
71.08623	2.0
73.02908	2.3
79.05499	9.6
81.03422	6.0
81.06596	1.1
81.07059	17.2
83.01352	4.0
83.04979	5.8
83.08157	0.9
83.08627	14.7
85.02437	0.9
85.02913	11.4
85.06541	1.6
85.10191	1.3
91.03963	6.0
91.05486	5.3
93.06484	1.1
93.07049	15.9
95.04980	3.2
95.08612	14.3
97.02892	7.3
97.06535	3.5
97.10177	7.6
99.04446	1.9
105.07029	4.2
107.04960	3.7
107.08600	8.2
109.02872	0.9
109.06543	3.8
109.10159	6.3
111.04438	1.1
111.08054	1.4
111.11734	1.6
113.53336	0.6
117.07023	3.5
119.08588	4.6
121.06502	1.8
121.10151	8.9
123.08105	4.5
123.11670	1.6
125.05955	0.7
125.09628	1.0
127.03912	1.8
129.06970	0.7
129.18723	0.7
130.07733	1.1
131.08578	2.1
133.10118	0.6
135.08037	1.2
135.11705	10.0
137.09639	0.8
137.13203	0.6
139.11180	1.0
145.04961	2.9
145.06599	1.0
145.10132	8.9
147.08043	1.9
149.13271	2.4
153.12746	2.1
155.08511	0.6
161.94725	0.6
163.06018	4.0
163.11197	15.7
163.14810	0.6
165.16548	0.6
173.09628	1.9
181.12248	3.3
188.20157	0.6
191.10678	1.3
196.89322	0.5
209.11789	4.6
227.12807	2.5
247.24280	0.9
265.25223	1.8
283.15411	100.0
284.15646	1.5
285.31030	0.6
304.06378	0.7
339.28958	62.5
340.29266	0.8
369.30576	0.6
494.84534	0.6
528.35303	0.6
547.39990	51.5
548.40656	0.9
565.41498	0.8
634.01801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.5
69.03432	2.7
69.07069	0.6
70.08028	0.3
70.23470	0.3
71.01353	0.4
71.04597	0.7
71.04980	0.5
71.08639	1.0
72.68590	0.3
73.02912	3.0
79.05502	1.0
79.23978	0.3
81.03417	1.5
81.07053	2.0
82.07252	0.3
83.04990	0.4
83.08649	0.9
84.36504	0.3
85.02906	4.7
85.10168	0.6
87.04452	0.4
87.82209	0.3
91.03955	3.0
91.05491	0.9
93.07061	1.3
95.04970	0.6
95.08604	2.4
96.56835	0.3
97.02885	5.0
97.10184	0.5
99.04484	1.3
101.02376	1.4
105.07047	0.6
107.04980	0.4
107.08604	0.9
109.02880	0.7
109.10154	1.5
113.58878	0.3
114.54285	0.3
115.03943	0.4
117.07076	0.5
119.08595	0.6
121.10163	0.8
123.11820	0.3
127.03914	1.4
131.08562	0.4
133.10173	0.4
135.11694	0.6
136.06186	2.5
137.06622	0.4
145.05011	0.5
145.10172	0.8
159.11742	0.4
163.11240	1.1
168.26917	0.3
169.02649	0.3
173.09615	0.3
185.04185	1.4
201.03709	0.6
203.05379	0.9
243.08482	1.1
249.11034	0.4
275.07553	0.3
283.15540	0.8
301.09042	0.5
301.97870	0.4
305.13593	0.4
313.27512	0.8
319.10062	0.4
337.27570	0.7
347.09491	5.3
363.09012	2.1
365.10477	0.7
405.13644	3.6
439.19388	0.4
463.14325	1.6
467.18857	4.8
485.19803	1.6
497.30731	4.8
497.37692	0.4
535.16559	0.7
547.23785	1.0
555.31396	0.6
601.24512	0.5
619.26160	0.4
629.24176	3.2
646.44403	0.3
647.24811	2.5
659.36053	7.4
723.43500	1.4
731.38306	1.5
741.44208	0.5
801.46179	1.1
857.48920	0.7
885.48126	5.0
886.47748	0.4
903.49115	100.0
904.49164	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	901.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85620	0.2
64.70853	0.2
65.03944	0.3
67.05504	1.7
69.03436	2.6
69.07071	0.9
71.01363	0.3
71.04981	0.3
71.08638	1.4
71.55437	0.4
73.02924	3.2
79.05492	0.9
81.03410	1.7
81.07066	2.2
83.04993	0.5
83.08636	0.9
85.02910	4.5
85.03381	0.4
85.10207	1.3
87.04449	0.4
91.03968	2.6
91.05497	1.1
93.07072	1.0
95.05000	0.4
95.08618	2.1
96.08952	0.3
97.02894	4.8
97.06541	0.3
97.10185	0.6
99.04453	0.7
101.02387	1.8
103.03967	0.3
105.07050	0.9
107.08617	0.7
109.02874	1.2
109.10188	1.0
115.03956	0.5
117.07055	0.2
119.08608	0.6
121.06557	0.3
121.10139	0.4
123.11761	0.5
127.03919	1.4
129.07039	0.3
133.10153	1.7
135.11691	0.4
136.06221	0.3
143.08641	0.4
145.05002	0.3
154.80556	0.3
161.09715	0.5
175.08847	0.2
179.10646	0.3
185.04318	1.0
189.09135	0.4
203.05383	0.9
225.11278	0.4
237.09750	0.3
239.11353	0.6
243.08531	0.7
265.09515	1.3
267.16006	0.6
283.10431	0.9
285.16739	0.2
299.15033	0.5
301.11389	1.0
302.17001	0.5
313.27393	2.1
314.27808	1.0
321.13153	0.5
333.24850	0.3
347.09479	3.4
365.10699	1.3
405.13797	2.1
410.76529	0.3
483.18375	10.0
497.30872	4.3
522.39008	0.5
523.39575	0.5
524.39813	0.8
540.39886	0.6
542.40002	0.4
566.47455	0.3
577.37518	0.5
591.23468	0.3
598.06244	0.3
645.23157	8.6
646.24054	0.4
659.36169	3.5
739.42200	2.3
848.18732	0.3
901.47675	100.0
902.47754	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	900.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.7
67.05505	10.0
69.03429	1.6
69.07070	5.5
69.39024	1.0
69.39444	1.3
71.01363	0.6
71.04995	1.3
71.08636	15.2
73.02910	1.2
73.06570	0.3
79.05501	5.0
81.03419	42.2
81.07056	13.1
83.04980	2.6
83.08623	13.4
85.02904	4.8
85.06505	0.4
85.10185	10.4
88.53040	0.3
89.06034	0.9
90.08205	0.3
91.03963	3.3
91.05486	7.5
93.07050	4.8
95.04973	12.0
95.08608	12.8
97.02901	3.0
97.06535	1.2
97.10174	4.0
99.04485	0.4
99.08090	0.7
103.07583	0.8
105.07029	5.5
107.04969	2.8
107.08588	2.5
109.02891	0.5
109.06540	1.5
109.10162	6.9
111.04457	1.1
111.08076	3.8
111.11739	0.9
115.05443	0.8
117.07013	0.9
117.09162	0.4
119.04956	0.5
119.08586	6.0
121.06494	1.5
121.10149	3.5
123.04446	1.2
123.08070	0.8
123.11716	2.7
125.09648	0.7
125.72433	0.3
127.03936	1.2
129.07025	4.5
131.08586	4.6
133.06522	1.4
133.10138	2.4
133.90790	0.3
135.11700	0.7
137.05962	0.5
137.09641	0.7
137.13272	0.9
138.76083	0.3
142.07816	1.2
145.04970	1.2
145.10129	1.4
145.11157	0.3
147.04410	0.7
147.08095	1.5
147.11688	4.6
147.49731	0.4
149.09610	2.6
151.14854	0.5
153.09175	0.4
155.08568	0.4
157.10127	5.9
163.06059	3.2
163.11183	1.1
164.14665	0.3
165.04260	0.3
165.12779	1.0
171.11685	0.3
173.09584	0.5
175.11194	5.8
177.12714	0.3
185.13216	0.3
191.10756	0.4
193.12250	19.8
205.12242	0.4
209.11760	0.4
210.36649	0.3
211.13354	1.2
223.13524	0.4
231.13802	0.5
235.13243	0.8
239.23730	2.1
249.14900	1.3
257.24722	1.9
259.13278	1.9
267.15924	100.0
268.16290	1.0
269.80170	0.4
273.14810	0.6
277.14700	0.4
283.15488	0.7
285.16815	0.7
289.14319	0.5
301.14352	1.3
301.17117	0.5
302.16803	0.7
303.17087	0.4
309.16962	3.2
313.27371	96.6
314.27701	2.0
315.28094	0.5
319.15479	1.1
375.18298	0.5
393.18973	0.8
457.46381	0.3
485.19650	0.3
505.38904	85.3
506.39191	1.9
523.39972	4.3
540.39935	0.5
541.39911	0.7
547.39948	5.5
548.40314	0.5
565.41449	0.7
571.40070	0.4
589.40955	1.2
601.41156	2.6
613.40820	2.1
631.42224	2.2
649.43420	1.4
667.43585	0.5
682.09882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.0
67.05504	26.2
69.03418	3.0
69.07062	13.5
71.01340	3.2
71.04974	3.5
71.08633	25.1
71.56409	1.4
73.02905	3.9
73.06542	1.1
74.35527	0.9
79.05492	22.0
81.02988	1.4
81.03419	19.0
81.06587	1.8
81.07053	30.4
83.01327	2.3
83.04976	13.1
83.08613	16.0
85.02432	1.4
85.02907	21.0
85.06533	2.5
85.10183	17.3
91.03956	10.9
91.05479	14.2
93.07043	26.3
95.04951	7.9
95.07999	1.5
95.08604	29.7
97.02890	16.2
97.06521	8.2
97.10165	7.8
99.00807	1.0
99.04445	4.1
99.11748	1.2
105.07028	6.0
107.04946	16.1
107.08593	16.1
109.02888	2.7
109.06504	4.4
109.10141	14.3
111.04432	11.2
111.08084	3.9
111.11715	1.8
117.07016	8.6
119.08561	11.0
121.06493	3.4
121.10136	12.9
123.04384	1.1
123.08051	3.6
123.11701	3.9
125.05989	1.5
125.09585	2.7
125.13268	1.2
127.03899	5.2
129.06993	1.5
130.07797	1.3
131.08594	5.5
133.06442	1.1
133.10118	3.6
135.08060	2.6
135.11696	19.2
136.45854	0.9
137.09599	3.0
137.13239	1.7
139.07652	1.1
145.04933	2.6
145.06441	1.5
145.10124	19.7
147.08032	3.6
147.11617	1.5
149.09607	4.2
151.11148	0.9
153.12746	13.2
155.08533	2.5
163.06041	5.5
163.11177	35.3
163.12546	1.9
173.09622	8.6
181.12178	11.1
191.10657	11.9
209.11734	30.5
213.71928	1.0
227.12802	16.7
239.23672	3.0
255.15948	2.2
257.24689	3.4
265.14374	13.5
278.10864	0.9
283.15378	72.5
284.15567	1.1
299.15012	4.9
300.15085	2.3
301.16446	62.1
313.27353	100.0
314.27707	3.6
315.15359	1.1
333.91495	1.1
364.86243	1.2
445.20679	1.6
489.30966	1.0
503.37149	10.8
521.38373	94.3
522.38336	1.9
538.38287	1.9
539.39398	94.4
540.39886	1.9
683.43207	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31567	1.0
65.03927	1.9
67.05501	25.4
69.03413	3.7
69.05045	1.1
69.07067	14.7
71.01348	4.0
71.04981	1.3
71.08630	28.5
71.56265	2.0
73.02910	4.3
79.05065	2.0
79.05490	24.0
81.03417	28.3
81.07050	25.7
83.04984	15.0
83.08617	14.4
85.02905	13.6
85.06554	1.4
85.10184	13.3
89.06054	1.3
91.03969	5.2
91.05485	10.6
93.07040	15.3
95.04974	5.9
95.08604	25.8
97.02885	13.1
97.06503	5.9
97.10174	14.4
99.04422	1.8
99.08028	1.2
105.07043	5.5
107.04945	25.0
107.08589	15.4
109.02850	1.7
109.10157	17.1
111.04445	8.2
111.08057	3.6
115.03902	1.3
117.07056	6.7
119.08571	6.2
121.06470	2.9
121.10141	7.6
123.04417	1.2
123.08074	1.4
123.11695	3.4
125.05996	2.3
125.09634	7.2
127.03931	1.9
129.06995	2.7
130.07729	1.7
131.08539	3.4
135.08063	1.5
135.11694	12.7
137.13174	1.5
145.04893	2.5
145.10117	11.7
147.08063	1.7
147.11703	1.7
149.09593	3.3
153.12724	19.4
155.08545	2.3
163.05949	2.4
163.11176	25.9
173.09627	5.8
181.12259	12.5
191.10692	19.4
199.13286	10.5
200.07600	1.1
209.11705	16.5
217.07115	1.2
227.12767	26.5
229.14368	3.6
239.23618	5.4
257.24734	2.0
265.14340	14.3
267.15851	1.2
283.15399	54.5
299.14987	1.2
301.16202	3.1
313.27350	100.0
314.27646	2.6
373.82413	1.1
437.36237	4.0
455.37234	5.3
467.37320	18.1
503.37311	7.9
506.38782	1.3
521.38324	17.4
539.39246	13.2
565.43005	1.1
611.10168	1.2
617.78705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99434	0.2
65.03917	0.3
67.05506	10.4
69.03436	2.0
69.07066	5.7
71.01318	0.7
71.04945	0.8
71.08631	15.1
71.25051	0.3
71.25384	0.5
72.08997	0.3
73.02911	2.9
79.05497	4.0
81.03426	2.5
81.07056	14.2
83.05001	1.4
83.08619	11.4
85.02905	9.2
85.06492	1.2
85.10183	9.8
87.04429	0.4
89.05995	1.0
91.03954	6.4
91.05478	11.1
93.07046	8.1
95.04971	2.0
95.08609	12.3
96.04507	0.4
97.02894	7.2
97.06527	1.7
97.10172	3.6
97.44715	0.3
99.00814	10.3
99.04446	1.4
99.11709	0.4
101.02336	0.3
103.05420	0.7
103.07548	0.8
105.06330	0.3
105.07031	8.1
107.04961	3.8
107.08591	4.6
109.02883	7.2
109.06515	1.4
109.10159	8.7
111.04400	0.9
111.08068	2.8
111.11700	0.8
113.05978	0.4
115.03925	2.1
117.07012	1.4
117.88341	0.3
119.04886	0.4
119.08581	5.5
121.06509	4.5
123.04370	1.0
123.08039	0.9
123.11716	3.6
125.09586	0.4
127.03922	3.7
128.06177	0.7
129.07007	0.7
131.08513	0.8
133.06435	1.1
133.10132	22.9
135.08047	0.7
135.11659	1.3
137.05971	1.4
137.09595	0.9
137.13219	0.6
139.07506	2.1
141.05531	0.4
143.08569	2.5
145.04929	2.7
145.06439	0.5
145.10074	0.3
147.04338	0.4
147.07991	0.7
151.09979	0.5
151.11180	8.2
153.07027	0.3
161.09615	13.9
163.06003	2.6
163.11227	0.7
165.09088	0.8
171.08080	2.6
179.10687	8.0
189.09117	6.6
191.05130	0.3
197.11732	2.1
207.10133	2.6
225.11214	7.8
239.23700	1.3
243.12268	1.3
257.24728	1.8
281.13840	4.1
299.14890	100.0
300.15250	0.8
313.27359	78.9
314.27682	0.9
348.30774	0.3
403.63797	0.3
413.08096	0.3
441.54004	0.3
490.79788	0.3
537.37885	52.0
538.38385	0.9
558.48730	0.4
655.64374	0.3
723.38898	0.5
724.39465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03886	0.4
67.05420	6.3
67.05809	0.7
68.63757	0.3
69.03346	2.0
69.06979	1.8
70.84589	0.3
71.01276	0.5
71.04906	0.5
71.08582	0.5
71.13580	0.3
71.41266	0.6
73.02828	3.4
79.05401	2.8
81.03326	1.8
81.06960	4.0
83.04916	0.5
83.08536	0.9
85.02807	3.9
86.09653	0.3
87.04382	0.5
91.03853	2.8
91.05384	2.2
93.07048	2.7
94.91826	0.3
95.04873	0.6
95.08601	2.2
97.02787	3.6
97.03473	0.5
97.06437	0.6
97.10091	0.6
99.04350	1.1
101.02280	1.7
101.32660	0.3
101.62563	0.3
103.03867	0.6
105.07031	1.6
107.08495	1.2
109.02782	0.9
109.06467	0.3
109.10168	5.9
109.10871	0.4
115.03828	0.3
117.06969	0.4
119.08578	1.9
121.10081	0.8
123.07986	0.4
123.11633	0.4
125.09551	0.4
127.03808	1.5
129.05447	0.4
130.90657	0.3
131.08522	0.6
131.34950	0.3
133.10013	1.0
135.11594	1.1
137.09583	0.4
145.04823	0.5
145.10043	0.7
147.11624	0.7
149.13161	0.4
155.10619	0.6
157.10036	0.7
159.11629	0.3
163.11084	0.6
173.11702	2.2
177.21732	0.3
184.07268	0.9
185.04140	1.2
195.09871	0.9
203.05147	0.7
208.11012	0.3
229.14374	1.5
241.43170	0.4
243.08426	3.1
259.07898	0.4
301.09006	2.5
315.10568	0.6
333.20352	3.8
369.15317	0.3
373.10886	1.0
373.23492	0.4
385.18423	2.4
389.22971	1.1
413.17862	12.7
415.15561	0.5
429.17276	1.2
431.24240	0.8
439.19360	1.7
441.21497	0.4
453.20798	1.7
469.20389	1.3
477.24683	1.1
477.67746	0.4
485.20139	0.4
500.22556	0.4
513.26813	0.6
515.33276	0.8
541.22571	4.0
551.28284	10.2
552.29169	0.4
561.33917	0.8
583.30096	0.5
593.29083	0.6
610.29547	0.6
611.30548	0.4
623.30560	2.3
625.32172	2.5
665.35168	0.7
679.36676	0.4
693.38525	0.5
721.37500	1.5
723.39258	100.0
724.39606	2.3
749.40619	0.8
751.42517	4.0
771.82153	0.4
779.41864	3.7
795.41815	0.4
807.40399	0.6
893.48633	26.4
894.49597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28605	0.4
67.05510	1.9
69.03431	2.9
69.07066	0.7
71.01363	0.5
71.05010	1.0
71.26482	0.3
73.02919	2.9
79.05499	2.2
81.03412	4.5
81.07055	3.0
83.04982	0.7
83.08636	0.5
85.02904	6.5
85.03372	0.5
85.06575	0.5
87.04494	0.6
91.03951	3.2
91.05475	3.7
93.07043	1.8
93.62292	0.4
95.04988	1.6
95.08607	1.6
95.58690	0.4
97.02890	5.3
97.06525	0.8
99.08120	0.5
101.02412	1.3
103.03959	0.6
105.07031	2.5
107.04985	0.7
107.08638	1.3
109.02905	0.9
109.06511	0.6
109.10188	0.6
111.04449	0.5
111.08115	0.9
115.03988	0.5
117.07063	0.3
119.08578	1.7
119.68529	0.3
121.06544	0.7
121.10172	1.1
127.03947	1.6
129.07057	1.0
131.08615	1.3
133.10150	1.3
137.06027	0.5
145.05020	0.7
145.10170	0.7
147.11739	1.3
149.06075	0.4
149.09665	1.4
157.10179	1.3
159.11740	0.5
163.04034	1.1
175.11264	1.1
183.88284	0.4
185.04321	0.7
187.11267	0.7
189.05519	1.0
193.12274	1.9
193.15878	0.5
203.05367	0.5
204.10167	0.6
207.06537	0.5
211.13260	0.6
243.08446	1.6
251.12692	0.8
267.16028	0.5
283.15186	2.4
289.14240	0.4
290.06549	0.3
307.15402	0.8
339.18103	0.8
347.09454	2.4
365.10837	1.1
397.06863	0.4
405.13715	5.8
405.18738	0.6
469.20483	7.9
501.23001	8.3
631.09052	0.4
631.25586	7.7
663.28345	8.5
729.36157	3.0
801.35266	1.6
891.41943	100.0
892.42389	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	3.1
67.05506	100.0
67.23579	1.0
69.03429	8.4
69.07070	31.8
69.34960	2.5
69.35366	6.7
71.01346	2.7
71.05004	5.9
73.02911	2.6
79.05494	55.0
81.03417	15.8
81.07057	60.3
83.04984	13.1
83.08160	1.5
83.08622	21.1
85.02907	14.5
85.06546	5.5
87.04469	3.7
91.03962	1.7
91.04904	2.1
91.05482	42.5
93.07047	45.1
93.07645	2.2
95.04967	13.6
95.08611	26.7
97.02916	8.0
97.06541	11.3
97.10168	20.7
98.21464	2.0
99.04440	1.5
99.08092	3.7
103.03927	1.2
103.05452	1.1
105.04534	1.1
105.07036	30.6
107.04974	8.9
107.08596	35.7
109.02878	2.2
109.06528	6.4
109.10155	51.5
111.04434	1.8
111.08080	6.1
113.06007	1.3
115.05441	2.2
117.07022	13.7
119.08583	25.3
121.06490	4.1
121.10138	15.0
123.04375	1.2
123.08084	4.8
123.11684	2.4
125.08769	1.8
125.09631	21.5
127.03905	2.3
129.05469	3.4
129.06993	5.0
130.07846	1.2
131.08565	17.3
133.06490	2.1
133.10139	17.6
135.08058	6.6
135.11716	12.1
137.09619	6.2
143.08533	5.1
143.10641	2.1
145.06461	2.4
145.09085	1.3
145.10149	16.1
147.08064	3.1
147.11684	9.4
149.09624	12.2
149.13211	6.2
151.11134	1.8
153.12704	3.1
155.08572	2.0
155.10651	3.1
157.08792	1.1
157.10112	3.6
159.08098	1.2
159.11702	10.1
161.09608	2.3
161.13213	4.2
163.11185	13.1
165.12720	2.0
169.10136	3.0
171.10301	1.1
171.11685	2.7
173.04446	2.0
173.09619	2.5
173.11734	13.7
173.13235	5.0
175.11183	2.8
177.12738	3.8
179.14249	1.9
181.12234	3.4
183.10258	1.1
183.11729	2.6
184.07346	1.4
185.13242	2.0
187.11263	1.3
189.11217	6.6
191.10658	1.8
191.14325	1.5
193.12242	3.7
195.13800	3.1
195.40923	0.9
197.13280	2.2
199.13255	7.2
199.14854	1.0
205.12248	1.2
209.11719	5.4
211.13257	2.7
213.16408	1.4
219.13803	1.2
223.13351	0.9
227.12807	23.0
229.14346	43.8
229.19420	1.8
230.14685	1.2
239.17992	2.2
247.20561	2.1
251.16548	1.8
255.15860	5.6
257.19086	8.2
265.14282	1.5
267.15997	5.6
269.17453	14.4
273.18439	2.1
275.16989	1.7
275.20071	31.6
279.16260	1.3
283.15302	3.1
291.19547	4.0
293.17972	1.4
293.20905	4.9
301.16483	9.6
331.22791	1.3
335.18384	1.1
349.23770	27.4
365.23361	1.9
367.24780	2.3
383.24066	1.2
399.23721	19.2
409.25995	6.3
423.27460	15.3
437.25296	1.1
477.28247	1.9
491.33694	1.4
495.29202	2.7
503.26456	1.1
503.33762	15.5
521.34607	3.4
536.95013	1.1
557.34338	2.2
573.33368	1.4
575.35614	3.0
579.35583	2.1
593.36853	13.6
673.42902	11.3
691.43585	3.7
888.49908	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	887.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.2
67.05511	1.7
67.85010	0.2
69.03429	3.6
69.07069	0.7
71.01354	0.5
71.05006	0.7
71.08634	1.2
71.77658	0.1
73.02512	0.2
73.02919	3.8
73.03320	0.3
79.05494	1.1
79.86948	0.1
81.03422	2.6
81.07057	1.8
83.04995	0.4
83.08626	1.1
85.02904	6.1
85.10172	0.9
87.04478	0.4
91.03955	3.6
91.05479	1.2
93.07060	0.7
95.04961	0.8
95.08618	1.2
97.02894	5.9
97.06522	0.2
97.10204	0.4
99.04453	0.8
101.02380	1.9
103.03979	0.5
105.07027	0.9
107.04992	0.4
107.08620	0.3
109.02892	0.8
109.10178	0.7
111.08098	0.3
115.03957	0.4
117.07081	0.2
119.08580	0.7
121.10180	0.4
123.11716	0.3
127.03925	2.1
129.05489	0.2
129.07028	0.5
131.08578	0.4
133.10167	0.8
137.09608	0.1
145.05000	0.5
145.10182	0.2
147.11702	0.5
149.09657	0.3
157.10196	0.5
163.11208	0.2
175.11205	0.6
175.29961	0.1
183.06601	0.2
185.02878	0.2
185.04201	0.9
193.12225	1.2
203.05232	0.7
211.13393	0.5
239.23726	0.3
243.08382	1.7
251.12718	0.8
269.12479	0.3
275.20605	0.2
283.15411	0.2
285.17047	0.4
305.08447	0.2
307.15201	0.5
313.27377	0.9
316.12732	0.3
324.11533	0.2
347.09485	2.6
363.09106	0.3
365.10504	1.2
394.93069	0.1
405.13669	5.7
455.23080	0.3
469.20471	8.9
497.30859	5.1
497.37848	0.3
498.31485	0.2
529.38263	0.1
631.25708	7.8
659.36066	4.9
712.83203	0.2
725.44568	2.3
860.65411	0.2
887.49707	100.0
888.49835	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	887.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45222	0.3
67.05512	1.5
69.03439	3.1
69.07062	0.5
69.33741	0.3
69.88491	0.8
69.88891	0.4
71.01355	0.6
71.04993	0.5
71.08632	1.2
73.02921	3.1
79.05519	1.0
81.03420	3.0
81.07048	2.4
83.08635	1.2
85.02913	5.5
85.03390	0.5
85.10217	0.7
91.03963	3.3
91.05505	1.1
93.07069	1.0
95.04996	0.7
95.08624	1.4
97.02903	4.2
97.06547	0.3
97.10201	0.4
98.20816	0.3
99.04469	0.9
101.02409	1.4
101.02983	0.3
103.03963	0.5
105.07052	0.9
107.04995	0.4
107.08607	0.7
109.02923	0.7
109.10209	1.1
119.08628	0.8
121.10184	0.5
123.11682	0.3
127.03937	1.6
131.08534	0.5
133.10185	0.5
135.11694	0.4
145.10130	0.5
147.11737	0.5
149.09669	0.4
157.10191	0.5
175.11182	0.6
185.04288	0.6
193.12268	1.6
203.05313	0.8
211.13297	1.5
211.71320	0.3
243.08418	2.2
251.12596	2.5
307.15170	0.8
308.21725	0.3
310.58624	0.3
313.27475	0.9
347.09451	2.4
363.09125	0.5
365.10825	0.8
405.13715	5.1
467.18878	0.7
468.19620	0.4
469.20450	8.6
478.91547	0.3
497.30914	4.5
498.31363	0.5
499.31467	0.3
563.39502	0.5
631.25726	7.5
659.36188	4.7
661.36810	0.4
725.44379	3.4
792.72711	0.3
887.49640	100.0
888.49628	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	887.495
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.7
69.03426	3.5
69.07069	1.3
71.01353	0.6
71.04990	0.6
71.08624	2.0
71.56862	0.2
73.02914	3.7
76.06281	0.2
79.05486	1.2
81.03417	2.2
81.07056	2.5
83.05000	0.5
83.08607	1.4
85.02898	5.9
85.10168	1.2
87.04485	0.5
90.88351	0.2
91.03952	3.5
91.05460	1.1
93.07048	1.2
95.04983	0.7
95.08595	2.3
96.48302	0.2
97.02891	5.4
97.06575	0.3
97.10175	0.8
99.04478	0.9
101.02379	1.7
103.03968	0.4
105.07027	1.1
107.04955	0.2
107.08595	0.6
109.02893	1.0
109.10143	1.7
110.10555	0.3
111.04448	0.3
115.03975	0.4
117.07040	0.4
119.08612	0.9
121.06538	0.3
121.10120	0.4
123.11729	0.6
125.09601	0.4
127.03916	2.0
131.08612	0.6
132.65083	0.3
133.10136	0.6
135.08110	0.3
145.04993	0.3
145.10153	0.5
147.11742	0.5
157.10170	0.4
159.11821	0.3
161.06157	0.2
185.04271	0.8
193.12326	0.6
203.05266	0.4
211.13416	0.3
223.13333	0.3
229.14445	0.7
230.14740	0.4
239.23805	0.5
243.08395	1.4
251.12711	0.9
257.24683	0.3
273.18530	0.4
291.19672	1.3
292.19815	1.1
303.48209	0.3
307.15540	0.3
313.27301	1.5
347.09485	2.3
353.09027	0.2
365.10730	0.9
365.23322	0.6
366.23734	0.4
399.23941	0.4
405.13644	4.7
469.20456	4.4
480.20859	0.2
497.30911	6.1
519.33093	0.3
520.33557	0.5
537.24860	0.3
631.25665	3.8
659.36011	7.2
690.43237	0.6
714.23370	0.3
725.44244	2.2
887.49658	100.0
888.50110	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	886.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.4
66.20614	0.5
67.05508	50.7
67.57013	0.4
69.03093	0.6
69.03436	8.0
69.07072	22.8
71.01344	0.7
71.04995	2.8
71.08628	0.7
71.21198	0.5
71.55629	0.7
73.02929	1.2
74.35187	0.6
77.03910	0.6
79.05020	0.9
79.05495	25.4
81.03423	10.1
81.07059	28.8
83.04986	6.6
83.08150	1.0
83.08621	14.0
85.02909	6.5
85.06556	3.0
86.09675	0.5
87.04472	2.6
88.02297	0.6
91.03949	0.6
91.05482	20.1
93.07046	19.5
95.01318	0.9
95.04983	8.7
95.08611	13.2
97.02309	0.6
97.02896	8.8
97.06532	4.7
97.09554	0.9
97.10175	16.9
99.04456	0.8
99.08049	0.7
103.05485	0.7
105.07037	12.7
106.09049	0.5
107.04953	7.5
107.08601	15.7
108.05808	0.5
109.02912	0.6
109.06540	3.6
109.10160	36.0
111.04430	1.9
111.08083	2.6
115.05402	0.8
116.04656	0.8
116.06254	0.7
117.07032	6.9
119.04944	1.0
119.06070	0.5
119.08585	11.5
120.05706	0.8
121.06527	3.5
121.07249	0.7
121.10138	6.5
123.04422	0.8
123.08068	3.7
123.11694	1.6
125.09637	13.9
128.06233	1.0
129.05475	2.2
129.07024	2.7
130.07762	1.0
130.89941	0.5
131.08569	8.5
132.49568	0.5
133.06464	3.2
133.10120	6.6
134.07256	0.8
135.08076	3.6
135.11678	3.5
137.09625	3.7
139.11165	0.7
142.07773	0.6
143.08604	2.9
143.10649	1.6
145.06480	0.9
145.10120	6.4
147.08043	6.7
147.11714	3.0
149.09619	2.7
149.13255	1.6
151.11304	1.1
153.09103	1.2
153.12737	1.1
155.08521	0.8
155.10643	2.1
157.08676	0.8
157.10117	2.5
159.08133	0.8
159.11699	3.2
161.09575	2.6
161.13260	1.1
162.10463	0.8
163.11180	6.1
165.09103	1.9
169.10135	0.7
171.11696	1.3
173.09576	0.8
173.11757	9.1
175.11185	2.2
177.12685	1.0
179.10678	0.7
181.12195	1.9
185.13182	0.7
187.11192	0.7
189.11235	3.6
189.12654	0.8
191.10693	1.8
193.12251	1.4
195.13849	1.2
197.13326	0.7
199.13269	4.6
203.14285	0.7
205.12234	1.5
209.11665	3.9
211.13271	1.0
213.14703	0.8
213.57239	0.5
217.14342	0.6
223.13306	14.2
227.12775	7.8
229.14365	27.5
243.14035	0.6
245.19006	1.4
249.14868	3.6
253.14348	2.7
255.17471	0.8
257.13776	0.7
262.15631	0.7
263.20071	0.9
265.14334	1.3
267.15939	2.8
271.15564	0.7
273.18503	13.1
283.15430	3.8
291.19543	100.0
292.19809	1.6
301.16473	8.5
309.20700	1.0
313.27301	0.7
347.22098	2.1
365.23245	37.3
399.23834	11.8
421.25827	0.5
433.29498	0.6
437.25253	0.6
483.74985	0.6
489.32388	2.6
501.31946	0.8
507.33493	2.4
519.33209	29.5
573.33997	2.1
591.35272	7.3
609.36145	2.3
671.42035	0.9
689.42645	14.9
886.48035	2.7
887.49823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.0
67.05507	15.3
69.03423	3.6
69.07072	3.8
69.36276	0.4
70.06593	0.5
70.55153	1.0
70.55496	0.6
71.04992	3.4
73.02908	1.7
79.05494	16.0
81.03418	64.8
81.06678	0.4
81.07055	16.7
83.04983	9.3
83.08617	18.0
85.02907	11.4
85.06521	1.5
91.03938	2.3
91.05479	20.7
93.07045	12.3
93.07642	0.7
93.67754	0.5
95.04969	22.3
95.08605	7.5
97.02888	4.3
97.06535	3.7
97.10170	5.1
99.08100	0.7
105.07030	16.1
107.04953	6.2
107.08595	6.8
109.02875	0.8
109.06522	3.8
109.10159	4.9
111.04444	2.6
111.08081	8.1
113.06003	1.5
115.05487	1.3
117.07000	2.7
119.04942	1.4
119.08582	14.5
121.06509	3.6
121.10143	7.0
121.10936	0.6
122.55935	0.4
123.04456	1.3
123.08092	3.0
123.11740	0.8
125.05994	0.4
125.09631	4.7
127.03922	1.0
128.06261	0.4
129.05534	0.7
129.07010	9.6
131.04915	1.3
131.08569	11.6
133.06471	3.7
133.10130	6.8
135.04398	0.6
135.08064	2.1
135.11702	1.6
137.05925	1.0
137.09610	2.1
139.03857	0.6
141.07036	0.8
142.07784	1.9
143.08545	1.6
145.02878	0.4
145.05072	1.1
145.06491	4.2
145.10121	3.3
147.04425	0.8
147.08069	4.2
147.11684	10.6
147.12816	0.8
149.05949	0.5
149.09616	6.6
151.11136	0.8
153.09088	0.8
154.87080	0.5
155.08574	1.6
157.06516	0.7
157.10129	11.9
159.08031	1.0
159.11665	1.0
161.06013	0.9
161.09636	0.9
163.03940	2.4
163.05971	0.9
163.11180	2.4
165.12831	2.6
167.08525	0.9
169.06499	0.9
169.10158	1.0
171.08046	2.0
171.11687	1.3
173.09650	0.6
173.13208	0.6
175.11186	8.9
177.05409	1.0
183.07962	0.9
183.11821	0.8
185.09564	0.9
185.13203	0.9
187.07515	0.5
187.11150	1.0
189.05457	0.8
189.11224	1.6
189.12759	0.8
191.10603	0.8
193.12247	33.5
195.11630	0.7
197.09607	0.7
197.13297	0.9
199.11314	0.5
199.13213	0.4
205.12271	1.2
211.11278	0.6
211.13277	12.7
211.15263	0.7
213.12753	0.9
215.07059	0.8
223.11194	0.5
223.13185	0.9
227.12743	1.8
227.14653	0.7
229.14346	3.1
231.13928	0.8
233.15488	1.0
235.13290	0.6
237.12758	1.6
237.14972	0.5
241.15825	0.5
249.14912	1.9
255.13727	2.5
259.09659	0.8
267.15912	100.0
268.16315	1.5
273.14905	4.9
283.15302	4.4
285.16946	11.2
287.16321	0.6
301.16684	1.0
303.04968	1.8
309.16940	1.1
323.18906	0.6
339.23199	1.0
341.21127	2.1
349.21671	2.9
357.24277	0.9
367.22684	6.5
385.23718	8.9
387.14340	0.4
403.24887	3.1
405.24393	0.9
415.24786	0.9
421.25610	0.5
429.21222	0.6
433.25879	18.1
437.25119	1.5
441.26398	7.3
459.27417	83.3
460.27548	1.6
477.28482	49.4
478.28592	1.2
501.28397	2.1
509.27441	0.7
509.30774	0.7
519.29382	3.0
525.28455	0.5
527.28754	0.6
543.28711	0.6
567.29535	0.7
573.30731	1.0
585.30640	2.5
603.31549	2.2
621.32379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.2
69.03431	3.1
69.07069	0.5
69.22497	0.8
69.22926	1.1
69.94491	0.2
71.01346	0.2
71.04996	0.6
71.08617	1.0
73.02921	2.9
76.88029	0.3
79.05496	1.2
81.03423	1.2
81.07077	1.7
83.04948	0.3
83.08622	0.7
85.02902	4.8
85.10167	0.6
87.04447	0.3
91.03963	2.8
91.05495	0.4
93.07047	1.3
94.00140	0.2
94.72266	0.2
95.04951	0.5
95.08600	2.2
97.02893	4.6
97.10145	0.3
99.04462	1.0
101.02377	1.7
101.31903	0.2
103.03963	0.4
105.07037	0.4
107.04952	0.4
107.08585	1.0
109.02892	0.6
109.10175	0.6
115.03981	0.5
117.07071	0.4
119.08585	0.4
119.27887	0.2
121.10149	0.5
127.03914	1.3
135.11697	2.0
141.42279	0.2
145.04939	0.3
145.10092	1.3
147.28238	0.2
163.11192	2.7
181.12283	0.7
185.04312	0.7
203.05360	0.7
219.10001	0.2
227.12743	2.4
243.08400	1.7
249.11011	5.3
283.15549	0.4
305.13535	1.6
313.27417	0.7
314.27808	0.2
347.09457	2.5
363.08975	0.3
365.10715	0.9
405.13657	5.8
405.18594	0.4
467.18909	10.2
497.30841	6.3
497.37827	0.3
524.40070	0.3
561.37622	0.7
629.24115	7.8
659.36249	5.4
723.42877	3.6
767.27014	0.3
885.48108	100.0
886.47986	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	885.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.0
69.03426	4.1
69.07070	0.5
70.17094	0.2
70.18620	0.6
71.01343	0.6
71.05000	0.6
71.08633	1.3
73.02921	3.7
75.04459	0.1
79.05499	0.7
81.03418	1.8
81.07046	1.5
83.01347	0.3
83.04996	0.4
83.08613	1.0
85.02902	6.4
85.10173	0.7
87.04482	0.4
91.03952	4.0
91.05471	0.7
92.07664	0.1
93.07030	0.8
94.84976	0.1
95.04974	0.3
95.08595	1.6
97.02892	5.9
97.06530	0.2
97.10169	0.3
99.04457	1.3
101.02379	2.3
103.03962	0.4
105.07085	0.3
107.04990	0.3
107.08611	0.5
109.02888	0.8
109.06554	0.3
109.10141	0.8
111.04467	0.3
111.08166	0.2
115.03967	0.6
117.07021	0.3
119.08614	0.4
121.06461	0.2
121.10165	0.5
123.08105	0.4
123.11733	0.3
127.03905	2.4
131.08586	0.2
135.11731	0.6
145.04980	0.5
145.10103	1.0
163.11192	1.6
183.06607	0.4
185.04184	0.9
186.95505	0.2
191.10771	0.2
193.12700	0.1
203.05275	0.7
209.11789	0.6
225.90948	0.2
227.12735	0.2
239.23744	0.2
243.08366	2.2
243.10316	0.1
249.11118	0.6
254.34290	0.1
259.08066	0.2
283.15509	0.6
305.08527	0.1
305.13599	0.3
313.27359	1.1
314.27600	0.2
329.83905	0.1
341.26910	0.2
347.09470	2.7
347.13651	0.2
363.09229	0.4
365.10596	0.9
405.13657	6.0
467.18881	8.3
468.19296	0.2
497.30829	4.9
520.00403	0.1
526.41675	0.2
531.22595	0.1
561.38220	0.2
629.24158	8.1
659.36121	5.2
723.42883	2.4
885.48083	100.0
886.48383	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	884.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.0
67.05505	45.5
69.03397	1.0
69.07071	6.6
69.49040	0.5
69.98523	2.3
71.04994	14.8
71.08634	16.7
73.02872	2.0
79.05485	6.1
81.03383	0.9
81.07056	14.5
83.04947	2.2
83.08619	10.1
84.54076	0.4
85.02903	7.3
85.06496	1.7
85.10180	9.2
87.04409	0.6
89.06045	0.5
91.03961	5.1
91.04990	0.5
91.05475	6.9
93.07039	7.6
95.04942	1.1
95.08607	19.3
97.02892	4.4
97.06501	2.1
97.10168	4.3
99.04457	0.6
99.08090	1.1
105.07034	0.6
107.08596	3.2
109.02845	0.7
109.10156	48.9
111.08033	2.2
111.11749	0.8
115.03880	0.6
117.06970	1.1
119.07802	0.7
119.08584	7.0
121.10088	1.6
123.11710	2.8
125.13220	0.9
127.03887	1.9
135.08052	0.5
135.11676	6.9
137.09612	8.0
137.13240	1.2
145.04948	2.3
145.10081	1.7
153.12727	0.6
155.10657	3.0
155.27795	0.5
163.06030	2.2
163.11176	2.6
169.12172	1.1
173.04500	0.6
173.11742	7.9
181.12167	1.6
187.13268	0.8
188.20416	0.5
196.97853	0.5
239.23747	2.2
243.15936	1.8
255.15845	3.9
287.18518	15.6
313.27356	15.3
322.02621	0.5
420.48001	0.5
431.22495	1.1
467.37332	73.4
468.37631	1.7
481.38760	2.2
493.38882	6.4
495.39716	0.6
525.41504	100.0
526.41986	2.3
669.45587	0.7
678.81281	0.5
876.18408	0.6
885.48608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.5
67.05509	8.8
69.03421	1.8
69.07079	1.9
71.01348	0.6
71.04987	1.5
71.54996	0.3
73.02914	0.8
79.05498	9.2
81.03422	23.8
81.07061	8.2
83.01353	1.8
83.04980	5.2
83.08624	8.3
85.02911	4.1
85.06539	0.9
91.03950	1.4
91.05484	8.8
93.03395	0.4
93.06487	0.6
93.07050	9.6
95.04977	9.8
95.08067	0.4
95.08621	3.9
97.02895	2.4
97.06522	2.2
97.10180	3.7
99.04467	0.8
99.08118	0.5
105.07034	6.1
107.04961	5.6
107.08594	5.6
109.02881	1.4
109.06532	2.6
109.10185	2.8
111.04442	2.6
111.08109	2.2
115.05430	0.5
117.07033	3.1
119.04954	0.7
119.08593	6.4
120.20882	0.4
121.06516	3.0
121.10138	4.1
123.04440	1.2
123.08068	3.9
125.02368	0.6
125.09637	4.1
127.03924	0.7
128.06256	0.3
129.05515	0.5
129.07007	3.5
130.07794	0.3
131.04883	0.8
131.08551	3.6
133.06465	1.6
133.10149	2.7
135.04424	0.4
135.08087	2.1
135.11678	3.2
137.05969	0.6
137.09573	0.6
139.03908	0.5
139.07500	0.3
141.06961	0.6
141.09108	0.3
142.07782	0.5
143.08563	1.2
145.05000	0.7
145.06508	2.1
145.10133	5.5
147.04424	1.2
147.08037	2.5
147.11723	2.4
149.05984	0.5
149.09631	2.4
151.07535	0.4
153.09128	0.8
153.12756	1.3
155.08565	1.0
157.06532	0.8
157.10155	3.4
159.04388	0.3
159.08072	0.8
159.11687	0.4
161.05952	2.2
161.09619	0.8
163.03952	0.4
163.06030	0.9
163.07439	0.4
163.11201	8.6
165.12772	0.6
167.08533	0.4
169.06480	0.5
169.10164	0.6
171.04456	0.3
171.08060	0.7
171.11716	0.5
173.06056	0.4
173.09633	2.1
173.11726	0.3
175.07613	0.4
175.11194	2.8
181.06445	0.5
181.10118	0.3
181.12213	1.5
183.08052	0.7
183.11693	0.7
185.09727	0.3
185.13309	0.4
187.07532	0.3
187.11224	0.3
189.05502	0.6
189.09169	0.7
189.11256	1.3
191.10687	1.8
193.12251	6.8
195.08112	0.5
195.11797	0.5
197.09584	0.6
201.12822	0.4
203.14278	0.7
205.12251	1.4
207.11736	0.4
207.13686	0.4
209.11700	1.4
211.11244	1.0
211.13329	1.2
213.12723	0.9
225.12869	0.5
227.12758	2.1
229.12318	0.6
231.13863	1.4
235.11197	0.4
239.10629	0.4
243.13789	0.7
249.14896	0.9
253.12213	0.4
255.13901	0.5
257.15494	0.4
259.13419	0.5
265.14429	0.6
267.15933	14.0
269.15448	0.8
271.13312	1.0
273.14856	2.0
283.15408	12.6
283.18549	0.6
285.14774	0.5
287.16562	0.4
289.14386	3.0
301.14417	0.9
303.16046	0.7
337.21637	0.9
347.20062	0.6
355.22684	1.6
365.21109	3.1
373.23972	0.5
383.22150	10.5
401.23254	5.4
419.24557	0.9
421.23697	0.4
431.24341	0.7
439.24881	0.9
447.11542	0.4
457.25885	18.7
475.26956	100.0
476.27179	2.0
493.28000	10.1
499.26572	0.7
517.28040	2.7
541.27673	0.9
571.29071	1.3
583.29510	0.8
601.30066	1.6
619.31262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	0.7
67.05503	13.0
67.21646	0.2
69.03428	3.1
69.07072	6.0
69.29128	2.2
71.01344	0.3
71.05009	1.9
71.08630	15.5
73.02924	2.4
79.05490	8.1
81.03416	24.8
81.07052	16.7
83.04975	5.8
83.08617	15.4
85.02904	16.7
85.06494	1.0
85.10181	9.7
86.09656	0.5
86.55994	0.2
87.04428	0.5
89.05991	1.1
91.03439	0.4
91.03951	5.2
91.05479	12.5
93.06490	0.4
93.07040	6.1
95.04966	10.6
95.08605	15.4
97.02885	5.3
97.06531	1.6
97.09576	0.3
97.10168	5.0
99.04427	0.7
99.08073	0.6
99.11716	0.5
103.07540	0.8
105.07028	8.0
107.04947	2.3
107.08587	2.8
109.02856	0.5
109.06513	1.4
109.10155	6.8
111.04447	1.3
111.07379	0.4
111.08076	5.1
111.11662	0.7
113.06003	1.2
115.05429	0.4
117.06955	0.8
119.04877	0.3
119.08585	6.6
121.06456	0.7
121.10138	4.1
123.08047	1.2
123.11707	3.6
124.99921	0.4
125.09568	0.8
127.03909	1.8
127.07542	0.3
129.06998	4.3
131.08569	5.0
133.06485	1.3
133.10118	4.7
137.09569	0.7
137.13213	0.8
142.07701	0.9
145.04932	1.8
145.10071	0.7
147.07999	1.2
147.11681	7.3
149.09625	3.0
151.11111	0.4
157.10124	7.0
163.06030	2.3
163.11166	0.8
165.12737	1.3
175.09790	0.5
175.11183	7.4
184.07285	1.1
193.12238	19.1
211.13278	21.1
221.22543	0.5
239.23650	1.6
249.14772	0.5
257.24646	1.3
267.15906	11.4
283.15536	0.4
285.16956	32.2
285.97900	0.3
286.17233	0.3
313.27347	63.5
314.27585	1.2
456.33099	0.3
505.38898	17.5
506.39310	0.3
523.39929	100.0
524.40283	2.4
667.43665	0.4
867.38049	0.3
872.76019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42938	0.3
65.03931	0.7
67.05503	13.2
69.03427	2.8
69.07065	6.2
69.48380	0.5
69.48782	2.6
71.04993	2.0
71.08629	14.3
73.02911	2.1
79.05489	9.9
81.03416	32.1
81.07050	17.4
83.04980	7.4
83.08617	17.4
85.02901	19.4
85.06522	1.0
85.10178	8.2
87.04411	0.6
89.05970	1.0
91.03435	0.4
91.03954	6.4
91.05479	14.2
91.60393	0.4
93.06495	0.5
93.07042	7.2
95.04970	11.9
95.08605	15.1
97.02882	6.3
97.06496	1.4
97.10162	4.0
98.20734	0.7
99.04417	1.0
99.08071	0.8
99.11695	0.5
103.07526	0.9
105.07030	9.4
107.04958	4.0
107.08602	3.3
109.02875	0.5
109.06518	2.0
109.10143	4.7
111.04411	1.5
111.07391	0.4
111.08084	5.5
111.11687	0.7
113.06013	0.9
115.05435	0.7
119.04932	0.4
119.08581	9.8
121.06463	0.5
121.10139	4.3
123.08034	1.2
123.11717	2.4
125.09612	0.8
125.13286	0.4
127.03918	1.9
129.07004	5.4
131.08571	6.5
133.06447	1.2
133.10117	5.6
137.09593	1.2
137.13213	0.8
140.60149	0.3
142.07733	1.2
145.04935	2.7
145.10078	0.5
147.08041	1.7
147.11681	8.2
149.09648	2.9
151.11134	0.5
157.10120	7.2
163.06036	3.0
163.11246	0.4
164.98895	0.3
165.12743	2.3
173.39937	0.4
175.09766	0.7
175.11183	8.6
193.12241	22.8
201.88042	0.4
211.13283	38.0
239.23607	1.3
249.15012	0.5
257.24704	1.5
267.15894	14.6
285.16956	57.1
286.17191	1.0
313.27353	58.5
314.27621	0.9
337.69998	0.4
505.38879	13.4
523.39935	100.0
524.40350	2.0
592.61176	0.4
813.09766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02855	6.4
62.42988	0.6
63.63514	0.5
65.03905	0.8
67.05430	19.0
67.05830	1.7
69.03352	2.9
69.06990	17.2
69.72674	3.8
71.04919	2.7
71.08554	2.5
73.02840	2.8
79.05489	14.3
81.03414	32.6
81.03855	1.9
81.07054	22.4
81.07491	1.3
83.04977	8.2
83.08615	21.2
83.09059	1.1
85.02898	22.0
85.06487	0.9
85.10122	0.8
85.70308	0.5
86.09652	0.8
91.03957	6.0
91.05474	17.8
93.07040	13.9
93.07588	0.7
95.04968	13.6
95.08602	14.6
97.02886	7.5
97.06521	4.0
97.10160	8.4
98.20750	0.7
99.04374	0.9
99.08032	1.1
105.07030	9.9
107.04949	3.3
107.08601	6.8
109.06440	1.9
109.10141	5.6
111.04370	1.4
111.08071	7.8
111.11665	1.5
112.98488	0.6
113.05956	1.2
115.03856	0.7
117.06971	1.0
119.08583	9.2
119.52506	0.6
121.06427	1.2
121.10145	12.9
122.19366	0.6
123.08024	1.4
123.11578	2.8
125.09570	1.6
127.03828	2.8
129.06984	5.6
131.08575	7.0
133.06386	1.9
133.10126	6.2
135.11711	5.3
137.09500	1.7
137.13177	1.7
139.11072	0.7
142.07680	1.4
145.04871	2.2
145.09976	0.9
147.07985	1.7
147.11697	9.1
149.09622	3.8
149.13162	2.1
151.11116	0.6
157.10109	8.0
163.05930	2.7
163.11043	1.1
165.12675	1.4
175.11189	8.3
183.13571	0.6
184.07246	1.9
193.10486	0.7
193.12228	22.2
211.13283	39.5
219.21001	0.9
230.78282	0.6
237.21925	0.7
267.15918	14.4
269.10272	0.6
275.71909	0.6
283.15463	1.5
285.16959	54.0
311.25797	55.0
312.26035	1.1
313.27451	1.1
330.29208	0.7
331.34360	0.6
503.37286	13.0
503.44031	1.1
521.38361	100.0
522.38660	2.7
554.30298	1.0
794.43073	2.0
880.49988	20.4
881.49927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.8
64.39410	0.3
67.05508	8.1
69.03430	1.7
69.07073	4.6
70.66981	0.6
71.01340	0.5
71.04998	1.5
71.08634	11.4
73.02923	1.8
74.17467	0.2
74.30754	0.3
78.78329	0.2
79.05492	7.7
80.26263	0.3
80.62254	0.2
81.03007	0.4
81.03420	4.6
81.07060	12.0
83.00849	0.3
83.01338	4.2
83.04982	5.2
83.08617	8.7
85.02908	10.4
85.06540	0.6
85.10187	7.6
85.10692	0.3
89.06030	0.6
91.03440	0.4
91.03952	5.8
91.05004	0.3
91.05482	4.8
93.07048	9.1
95.04974	2.6
95.08610	11.4
97.02902	5.3
97.06551	1.9
97.09643	0.3
97.10165	3.2
99.04494	1.4
99.11703	0.5
103.07534	0.4
105.07038	3.2
107.04965	2.8
107.07904	0.3
107.08591	5.8
109.02864	0.4
109.06527	3.5
109.10158	4.8
111.04386	1.2
111.08052	0.9
111.11695	0.5
113.13200	0.3
115.03892	0.3
117.07021	3.3
119.08586	3.2
121.06497	1.6
121.10156	3.9
123.08068	4.0
123.11668	1.2
123.12478	0.3
125.05943	0.8
125.09572	0.8
127.03934	2.3
129.06958	0.8
130.07744	0.4
131.04919	0.4
131.08563	1.3
133.10114	0.7
135.08038	0.9
135.11690	6.3
137.09659	0.5
137.13220	0.7
143.08589	0.4
145.04915	2.7
145.06126	0.5
145.10117	8.2
147.08009	1.1
149.09593	0.4
153.12724	1.4
155.08556	0.5
163.06047	4.3
163.11191	12.6
173.09610	1.6
180.08592	0.3
181.12263	1.8
191.10646	1.4
209.11758	3.8
224.95197	0.3
227.12799	1.8
232.73808	0.3
234.85909	0.3
239.23671	1.4
257.24774	1.7
271.17422	0.3
283.15402	100.0
284.15677	1.0
303.68225	0.3
313.27368	71.2
314.27728	1.1
410.11542	0.4
464.21948	0.3
521.38403	53.4
522.38873	1.2
682.58875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.9
65.03929	0.4
67.05506	11.6
69.03411	1.3
69.06734	0.4
69.07072	6.8
71.04970	1.2
71.08634	14.0
73.02906	1.6
79.05495	12.5
79.05968	0.4
81.03408	1.8
81.07058	15.7
83.01351	0.4
83.04976	2.3
83.08620	10.5
85.02909	4.2
85.06540	0.5
85.10184	9.8
89.06009	1.0
90.06754	0.3
90.49532	0.3
91.03974	2.3
91.05478	3.8
93.07044	19.8
95.04974	3.2
95.08607	32.2
97.02889	4.8
97.06528	2.1
97.07041	0.4
97.10178	3.2
98.20747	0.8
99.04454	2.7
99.11718	0.7
102.46706	0.3
103.05429	0.4
103.07559	0.8
105.07027	4.7
107.04960	4.9
107.08595	15.5
109.02896	0.3
109.06544	1.4
109.10155	5.8
111.04404	0.9
111.08081	0.6
111.11725	0.8
113.06029	0.6
117.07018	5.3
119.08582	6.6
121.06493	3.0
121.10139	7.9
123.08053	0.6
123.11709	2.2
125.05989	1.7
127.03910	0.9
129.06979	0.5
130.07776	0.9
131.08559	0.5
133.10112	1.4
135.08049	1.2
135.11691	34.2
137.13252	1.1
138.05646	0.3
139.07549	1.0
143.08578	0.5
145.04945	0.9
145.10123	18.2
151.14793	0.5
153.12704	0.7
155.08571	0.5
158.25487	0.3
163.05997	0.9
163.11179	44.0
164.11397	0.4
171.88200	0.3
173.09651	0.4
179.09521	0.3
181.12242	8.2
184.07246	0.4
191.10696	0.5
209.11650	1.6
227.12784	46.2
229.29962	0.4
239.23705	1.6
243.61270	0.3
257.24832	2.0
283.15396	92.0
284.15762	0.9
313.27359	87.4
314.27908	1.4
521.38385	100.0
522.38800	2.5
708.40009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02345	1.2
65.03918	4.8
67.05504	9.0
68.99801	1.2
69.03416	3.6
69.07047	2.3
70.64987	2.2
70.65373	2.8
71.01363	2.6
79.05488	10.3
81.03423	6.5
81.07047	2.7
83.04980	4.9
85.02895	4.1
91.05484	43.6
93.07037	1.9
95.01341	6.5
95.04962	24.3
97.02887	3.7
97.06528	12.8
99.00826	6.7
103.05463	2.0
104.19398	1.0
105.03372	1.9
105.04477	1.4
105.07027	4.9
107.04953	10.3
109.06483	1.8
111.04408	3.3
115.05457	17.9
116.06242	1.7
117.03384	1.3
117.07024	4.8
118.04153	1.4
119.04948	42.4
119.08562	1.5
121.02822	1.6
121.06472	1.9
123.04449	6.7
125.02377	1.1
125.05980	3.0
128.06206	3.2
129.03348	2.6
129.05479	1.1
129.07028	5.5
131.03362	3.4
131.04903	4.6
131.08557	2.1
133.06490	5.2
135.04396	4.8
137.02402	1.0
137.05972	3.6
137.20985	1.0
139.03915	2.0
141.06982	3.6
143.04916	4.8
143.08556	5.4
145.02834	7.3
145.06468	3.3
147.04414	80.4
147.08061	6.6
149.05916	5.5
151.07504	2.9
152.06158	2.0
153.07024	2.6
155.04939	1.3
155.08543	1.6
157.06468	6.6
157.10086	1.1
159.04399	3.4
159.08076	6.5
160.05191	5.5
161.05981	36.5
163.03903	15.5
165.05475	8.1
165.06859	1.6
167.08586	8.9
169.06473	2.4
169.10121	1.3
171.04459	5.0
171.08063	6.8
173.02310	3.4
173.06010	8.0
174.06754	5.1
175.03911	85.1
175.07509	24.5
176.04692	1.4
177.05505	10.5
179.07124	5.6
179.08479	1.6
181.06476	4.7
183.08029	1.8
184.05186	2.8
185.05992	6.2
185.09569	3.6
186.06696	1.6
187.03947	1.7
187.07536	15.5
189.05476	44.6
189.07063	1.7
189.09090	26.7
191.03358	5.4
191.08563	1.3
193.04968	21.9
195.08057	14.6
197.06023	4.3
197.09717	1.8
198.06705	2.3
199.03952	2.1
199.07555	9.7
201.05482	5.9
201.09073	6.2
203.07031	39.6
205.04938	3.5
205.06685	1.5
205.08606	2.6
207.06519	58.3
209.06047	1.8
210.06618	1.2
211.05795	2.0
211.07507	4.0
213.05441	3.3
213.09094	26.0
215.06966	20.0
215.08786	1.2
215.10651	5.1
217.04935	3.5
217.06642	1.6
217.08566	20.8
218.07228	1.3
219.08170	2.4
219.10146	3.0
221.06032	1.3
223.05942	4.0
223.07887	5.7
225.07524	88.5
227.06921	2.2
228.09262	1.9
229.04842	1.8
229.08551	3.2
231.06430	2.9
231.10054	9.9
232.08879	1.4
233.06013	1.4
234.06743	3.4
235.07550	6.5
236.08226	2.2
237.05472	1.3
237.09134	1.7
239.06761	5.2
240.09341	2.0
241.04869	1.6
241.08589	40.2
242.10913	1.7
243.06320	2.4
243.11865	1.3
245.09700	2.3
247.07523	3.3
249.09108	1.9
251.06999	3.2
252.09377	2.0
253.08467	1.3
255.08104	2.4
256.08829	4.0
257.09503	3.7
257.13272	1.7
259.09641	100.0
260.08264	3.9
261.09079	3.9
261.12512	1.5
262.06192	2.4
263.07001	7.2
264.07745	2.3
265.08582	1.6
267.11694	1.4
268.08908	1.3
269.07776	5.9
269.13025	1.1
270.10446	1.8
271.07214	1.7
271.09647	1.5
272.08295	3.1
273.09039	3.1
274.09888	4.5
275.07104	2.1
275.10580	2.2
276.07666	2.6
277.08109	1.8
277.10733	4.0
279.10226	2.2
279.13797	2.2
280.08701	1.3
284.08325	7.8
284.11282	1.4
285.09006	5.0
285.12720	5.7
286.09866	3.4
287.06592	1.9
287.09195	5.5
288.07977	2.6
288.11136	1.6
289.05069	1.2
289.08490	3.1
289.12177	5.7
290.05634	1.3
291.06409	2.9
291.09912	2.2
293.08124	1.3
295.09750	1.5
297.09070	1.4
297.12625	2.4
298.09729	3.4
299.10553	4.3
300.07690	4.5
301.08539	5.3
301.11929	1.9
302.09412	7.1
303.06586	2.0
303.10080	2.9
303.13791	4.7
307.09637	1.9
307.13251	1.3
309.07574	1.8
311.06796	1.2
312.07599	3.2
313.08539	2.8
313.12186	10.4
314.09244	1.4
315.10098	3.6
315.13583	2.2
316.07156	1.2
316.10770	1.8
317.07996	3.2
317.11719	9.6
319.09784	2.3
321.07614	4.4
321.11179	1.5
323.10315	1.5
327.09714	3.4
329.08176	2.1
329.11533	6.0
330.08673	2.8
331.09683	2.0
331.13220	10.0
333.11301	1.9
333.14893	1.6
335.09271	2.1
335.12769	6.9
341.11795	11.8
343.09485	1.5
343.13174	2.2
344.10440	1.2
345.11191	8.2
349.14417	2.3
351.10147	1.6
353.13864	6.7
357.11133	1.4
359.08893	1.2
359.12784	24.0
359.17242	0.8
361.10278	1.6
361.14310	2.7
363.12234	9.5
369.11032	6.5
373.14148	2.2
377.13831	12.6
381.13333	7.5
387.12271	20.5
389.13773	1.9
391.15308	4.4
395.14493	4.6
397.10715	1.5
401.13705	3.6
405.13315	54.1
413.15955	24.3
415.11633	6.3
419.09552	1.6
419.14926	23.2
423.14407	13.9
429.13315	1.8
433.14117	16.3
437.15939	4.9
447.14371	11.5
451.13858	28.7
465.15485	34.1
466.16446	1.7
483.16525	56.0
484.16965	1.5
501.17337	1.7
533.18036	3.9
551.18878	2.9
561.17719	2.8
579.18518	32.0
597.19476	8.1
600.61371	1.1
621.19763	1.3
639.20520	2.5
657.21704	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	869.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	0.9
65.03937	0.5
67.05511	5.1
69.03432	2.4
69.07072	9.4
69.88590	1.7
71.05000	0.8
73.02927	0.5
79.05494	10.7
81.03410	2.2
81.07053	2.8
83.04991	4.7
83.08612	0.6
83.61606	0.3
85.02907	3.2
89.03907	1.9
91.03958	0.6
91.05482	2.6
93.07040	2.2
95.04999	2.0
95.08601	1.3
97.02911	1.7
97.06533	99.7
97.10156	0.7
98.06872	0.5
99.04459	0.7
105.07022	1.6
107.04946	1.5
107.08595	1.5
109.02859	0.5
109.06506	0.6
109.10139	1.0
111.04443	9.2
111.08067	0.4
115.05447	0.7
117.03390	2.4
117.06991	0.5
119.08581	1.2
121.02853	0.3
121.06473	0.5
121.10152	1.1
123.04429	2.6
123.08069	0.4
125.09611	0.7
127.03908	0.8
129.05469	1.2
129.07004	0.8
131.04903	0.4
131.08548	0.5
133.02850	1.2
133.10164	0.6
134.03619	1.8
135.04427	6.8
135.11700	1.2
137.02327	0.8
145.02846	7.1
145.06485	0.4
145.10126	1.3
147.04405	1.5
147.11700	0.4
153.01875	0.8
157.06509	0.4
157.10097	0.5
159.04408	4.8
159.07993	0.5
161.02345	14.1
161.05928	0.4
162.03081	0.4
163.03909	61.8
163.11134	2.0
169.06477	0.6
173.02348	26.8
173.09676	0.4
175.03899	0.9
177.05486	1.0
181.04984	3.6
181.06543	0.6
181.47501	0.4
185.05963	1.7
187.03908	0.5
187.07549	1.3
189.05475	1.2
197.05965	0.7
200.04665	0.5
201.05414	1.1
203.06955	0.4
204.82014	0.3
209.11858	0.5
213.09189	0.5
215.07033	47.9
217.05011	2.0
219.10188	6.8
227.06979	0.4
227.12819	1.0
229.04970	1.6
229.08533	0.6
229.14394	0.4
233.04547	0.5
241.08582	1.4
257.04550	0.6
259.09665	100.0
260.09967	0.5
267.08716	0.4
267.15875	1.4
273.07620	0.5
273.10950	0.5
283.15454	4.9
284.15759	1.5
285.07498	0.7
287.05746	0.5
287.09055	0.6
291.08694	2.0
301.07147	0.6
301.16296	2.4
303.05005	25.8
313.07272	0.6
313.10709	9.0
327.12222	0.8
329.10208	2.0
331.11801	0.8
341.13895	0.7
343.11758	1.5
345.13501	0.6
351.12250	1.4
369.13354	6.1
387.14398	57.1
388.14603	1.3
405.15442	30.8
406.15582	0.6
437.25320	0.8
473.28830	1.5
490.25183	0.4
491.26517	0.9
492.26370	0.5
509.27518	3.1
510.27975	2.1
527.28961	0.5
528.28906	0.5
561.13690	0.5
644.96814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.4
67.05506	6.2
68.99781	0.9
69.03456	3.7
69.03765	0.8
69.07074	10.0
69.43027	0.7
69.96832	1.3
69.97179	2.9
71.01360	2.1
71.04992	3.7
79.05495	9.7
81.03420	5.8
81.07057	4.0
83.04987	23.1
83.08623	1.2
85.02907	8.3
89.03915	2.1
91.05479	5.5
93.05021	0.6
93.07031	2.0
95.04979	8.4
95.08610	0.8
97.02930	3.2
97.06535	68.9
97.10162	0.7
98.21460	0.9
99.04472	3.2
103.05489	0.9
105.07059	3.6
107.04945	2.2
107.08601	1.9
109.02880	3.0
109.06546	0.8
109.10197	1.1
111.04450	23.9
113.72901	0.6
115.05444	4.4
117.03397	3.0
117.07007	2.0
119.04935	1.5
119.08600	1.9
121.02829	1.2
121.06472	1.5
121.10188	0.9
123.04424	5.4
124.07637	0.8
127.03922	1.9
128.06192	2.1
129.05496	6.4
129.06981	3.9
131.04938	2.7
131.08586	2.2
133.06520	2.0
133.10127	2.3
135.04422	7.0
136.07590	7.9
137.02377	1.7
137.05978	2.5
141.07011	5.1
142.07758	1.3
143.04936	2.8
143.08549	4.3
144.05716	1.2
145.02844	3.9
145.06480	4.0
145.10165	1.6
147.04420	5.8
147.08066	1.2
149.05981	4.9
151.03874	1.2
151.07491	0.9
151.11151	1.4
152.06165	2.0
152.07198	1.3
153.01825	2.0
153.05504	2.0
153.06947	1.6
154.07800	1.1
155.08588	1.9
157.06502	4.9
157.10162	3.9
159.04453	2.6
159.08054	2.1
160.05214	9.1
161.02373	5.6
161.05998	33.9
162.03163	1.4
163.03915	100.0
164.07091	7.1
165.01857	1.5
165.05528	0.8
165.06952	1.7
167.07060	4.3
167.08571	7.9
169.06474	6.6
169.10063	1.3
170.07236	1.0
171.04404	1.6
171.08052	5.0
173.02423	3.6
173.05988	15.2
173.09604	1.9
174.06711	1.9
175.02528	1.2
175.03941	13.7
175.07552	10.5
176.04774	1.4
176.81326	0.7
177.05501	5.9
177.09090	0.8
179.03410	0.7
179.08528	1.2
181.04980	3.4
181.06413	1.3
183.08035	2.6
184.05275	3.4
185.05986	3.7
185.09604	5.0
186.06674	1.8
187.03810	1.3
187.07567	9.6
187.11098	0.9
189.01883	4.4
189.03845	1.0
189.05482	8.6
189.09120	32.6
191.10709	4.8
193.12250	2.2
195.08069	13.6
197.05991	5.5
197.09663	2.2
198.06688	3.2
199.03827	0.8
199.07516	3.4
200.04701	6.9
201.05501	5.0
201.09129	10.5
202.06299	1.3
203.07076	3.8
203.10703	5.2
205.08589	1.6
207.02956	3.7
207.06483	0.7
211.07581	3.2
211.13350	2.4
212.04713	1.6
213.05716	1.0
213.09113	16.6
214.06371	1.0
215.07043	34.8
215.10515	7.0
217.05107	1.7
217.08629	15.4
219.10126	12.1
223.07484	3.3
225.09102	1.2
226.06351	1.3
227.07277	0.9
229.05043	3.3
229.08600	3.3
231.06659	1.0
231.10175	15.7
233.08023	3.5
234.08894	1.0
237.08913	0.7
239.07196	1.0
241.08653	12.0
243.10364	1.2
248.08376	0.8
257.04465	1.4
257.08102	2.3
259.09683	78.6
260.09903	1.2
265.08224	0.8
267.15961	0.9
269.08231	1.6
277.10736	15.8
285.16949	2.0
287.13828	2.5
293.11530	0.9
299.14975	2.6
303.05011	59.1
313.10754	1.9
313.14227	1.0
323.12793	2.4
327.12302	2.5
339.12253	0.7
341.13840	1.5
343.11899	3.2
351.12259	3.6
359.15067	0.9
369.13425	7.3
387.14410	23.7
405.15457	33.4
417.15460	1.6
459.27197	0.9
491.26343	1.1
499.16541	0.7
509.27554	7.9
510.27710	3.6
570.34192	0.7
782.64264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	3.7
65.03926	0.3
67.05509	10.5
69.03430	1.5
69.07075	4.2
69.16636	0.3
69.42394	1.3
69.42817	1.2
71.04984	1.2
71.08636	3.9
72.28381	0.3
73.02911	0.9
79.05493	3.7
81.03410	1.0
81.06593	0.6
81.07063	11.6
83.04977	2.3
83.08619	2.7
85.02908	4.3
85.06542	2.5
85.10181	2.5
91.03953	2.6
91.05488	9.4
91.94154	0.3
93.06555	0.5
93.07048	4.2
95.04974	1.5
95.08620	4.8
96.76888	0.3
97.02900	2.0
97.06535	1.1
97.10166	0.7
98.20793	0.7
99.04446	1.3
103.07558	0.3
105.07039	8.5
107.08597	9.4
109.06531	1.8
109.10162	20.3
113.05993	0.7
115.03897	0.3
115.07548	0.4
118.87257	0.3
119.08557	1.0
123.11711	4.5
125.09592	0.4
127.03926	1.0
127.07551	1.0
131.08569	0.7
133.10139	26.0
134.86584	0.3
143.08612	0.5
145.04929	0.8
151.11188	13.4
161.09595	0.6
163.06052	1.2
169.12251	2.0
178.44167	0.3
179.10649	0.4
180.61320	0.3
180.67172	0.3
184.07411	0.6
206.66951	0.4
215.12770	0.9
216.38791	0.3
239.23743	0.5
253.14363	100.0
254.14682	0.6
257.24713	0.5
271.15424	19.8
293.75220	0.4
313.23657	0.8
313.27368	19.7
509.38403	33.2
510.38690	0.5
555.24323	0.4
664.17749	0.4
876.79974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.8
64.79510	0.5
67.05507	6.6
69.03432	3.8
69.07078	2.4
69.18349	4.9
71.01408	0.7
71.04988	1.1
71.08642	0.9
73.02917	3.3
78.27084	0.5
79.05492	5.2
81.03429	4.4
81.07060	6.6
83.04999	1.5
83.08641	1.7
85.02907	4.2
86.09708	0.9
91.03956	1.8
91.05477	3.5
93.07049	5.2
95.04990	1.6
95.08591	3.3
97.02885	4.8
97.06566	0.7
97.10192	0.8
98.21593	0.9
99.04459	1.2
101.02405	1.0
103.03996	0.5
105.07051	2.4
107.04999	0.8
107.08619	2.8
109.02917	2.0
109.10184	1.6
109.22661	0.5
111.04447	0.9
117.07036	1.7
119.08630	2.2
121.06531	0.5
121.10174	1.8
123.11747	0.7
125.09667	1.0
127.03902	1.2
131.08617	1.6
133.10152	0.5
135.11754	1.8
145.04955	0.6
145.10165	1.8
147.11749	1.0
159.11714	0.8
163.11234	1.2
173.04501	1.9
173.09680	0.6
184.07442	1.4
185.13319	0.5
191.10623	0.6
203.05376	0.6
209.11819	2.1
227.12677	0.6
243.08426	2.8
283.15555	1.9
301.16565	0.6
313.27307	3.8
333.20584	1.0
335.22046	2.1
389.23053	0.7
439.19556	1.9
445.21042	1.0
453.21072	1.8
469.20688	0.5
521.38141	2.8
539.39215	1.0
541.79041	0.6
551.28180	6.5
553.29785	5.3
572.75525	0.5
646.92859	0.6
665.42773	0.6
683.43915	0.9
863.51190	100.0
864.51172	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	863.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.8
64.79510	0.5
67.05507	6.6
69.03432	3.8
69.07078	2.4
69.18349	4.9
71.01408	0.7
71.04988	1.1
71.08642	0.9
73.02917	3.3
78.27084	0.5
79.05492	5.2
81.03429	4.4
81.07060	6.6
83.04999	1.5
83.08641	1.7
85.02907	4.2
86.09708	0.9
91.03956	1.8
91.05477	3.5
93.07049	5.2
95.04990	1.6
95.08591	3.3
97.02885	4.8
97.06566	0.7
97.10192	0.8
98.21593	0.9
99.04459	1.2
101.02405	1.0
103.03996	0.5
105.07051	2.4
107.04999	0.8
107.08619	2.8
109.02917	2.0
109.10184	1.6
109.22661	0.5
111.04447	0.9
117.07036	1.7
119.08630	2.2
121.06531	0.5
121.10174	1.8
123.11747	0.7
125.09667	1.0
127.03902	1.2
131.08617	1.6
133.10152	0.5
135.11754	1.8
145.04955	0.6
145.10165	1.8
147.11749	1.0
159.11714	0.8
163.11234	1.2
173.04501	1.9
173.09680	0.6
184.07442	1.4
185.13319	0.5
191.10623	0.6
203.05376	0.6
209.11819	2.1
227.12677	0.6
243.08426	2.8
283.15555	1.9
301.16565	0.6
313.27307	3.8
333.20584	1.0
335.22046	2.1
389.23053	0.7
439.19556	1.9
445.21042	1.0
453.21072	1.8
469.20688	0.5
521.38141	2.8
539.39215	1.0
541.79041	0.6
551.28180	6.5
553.29785	5.3
572.75525	0.5
646.92859	0.6
665.42773	0.6
683.43915	0.9
863.51190	100.0
864.51172	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	861.497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.5
65.03940	0.5
67.05500	5.7
69.03438	2.0
69.07067	2.9
69.87611	2.7
71.01361	0.5
71.05003	0.6
73.02917	3.1
79.05484	4.3
81.03413	3.0
81.07051	5.2
82.18895	0.4
83.04969	0.9
83.08619	1.1
85.02898	3.3
91.03975	1.9
91.05459	3.8
93.07046	4.2
94.91812	0.4
95.04987	1.3
95.08612	3.0
97.02919	2.8
97.06509	0.9
97.10155	0.8
99.04457	0.6
101.02420	1.2
105.04585	0.6
105.07033	2.4
106.07494	0.4
107.08588	3.0
109.06543	0.9
109.10161	1.6
110.56667	0.5
117.07044	0.7
119.08617	2.1
121.10193	1.3
123.68091	0.5
127.03934	1.1
131.08594	1.5
133.10161	1.6
134.10435	0.6
135.11755	1.1
136.06183	20.8
137.06544	2.3
145.10182	1.5
147.11729	1.0
157.10178	0.6
159.11658	0.7
185.04248	0.6
193.69011	0.5
216.18860	0.5
232.12311	0.5
243.08388	3.8
266.17038	0.5
331.03897	0.5
333.20477	4.1
389.23239	1.1
439.19498	2.6
453.20963	1.5
469.20306	1.0
551.28296	9.8
699.44958	1.2
779.41656	0.6
861.49640	100.0
862.50092	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	861.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	4.0
63.81419	0.6
67.05184	0.6
67.05506	8.3
69.03412	2.5
69.07079	3.6
71.04959	0.9
71.56733	0.7
73.02890	2.6
79.05499	6.3
81.03419	7.9
81.07061	7.2
82.03689	0.6
83.04973	0.9
83.08604	2.6
85.02902	4.3
85.06544	0.7
87.04436	0.7
91.03945	2.4
91.05479	6.5
91.42072	0.5
93.07044	5.8
95.04944	2.4
95.08590	3.3
97.02885	4.4
97.06517	1.2
97.10174	1.0
99.04427	1.0
101.02361	1.0
101.28065	0.6
105.07055	3.1
107.04948	1.2
107.08580	3.8
109.10126	2.3
111.08048	0.7
117.07021	1.2
119.03523	0.8
119.08587	2.6
121.10141	1.5
127.03912	1.1
128.46704	0.7
129.06972	1.3
131.08582	2.0
133.10130	2.0
135.11673	1.7
136.06183	100.0
137.04643	1.2
137.06615	10.7
145.10210	1.2
147.11678	1.2
149.13165	0.6
157.10106	0.8
159.11804	0.6
162.75540	0.6
173.13339	0.7
193.12292	1.2
203.05246	0.7
205.42101	0.7
243.08376	3.3
267.15875	3.5
268.16272	2.0
285.10248	0.7
333.20242	3.3
335.25870	2.2
336.26230	2.4
389.23141	1.0
439.19443	1.8
453.21106	2.1
528.38013	0.9
546.39038	1.0
551.28290	11.4
681.44672	1.7
698.45441	1.3
699.45044	5.4
749.40405	0.7
843.49359	3.0
861.49646	98.5
862.50287	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	859.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.1
61.71766	0.5
67.05503	8.1
69.03429	3.1
69.07079	3.8
73.02935	2.7
77.85548	0.5
78.64937	0.6
79.05494	4.7
79.56821	0.4
81.03435	2.3
81.07056	8.1
83.04952	0.8
83.08632	2.1
85.02914	3.7
85.06548	0.7
91.03962	1.4
91.05480	5.2
93.07040	6.0
95.04989	1.3
95.08611	4.2
97.02901	3.0
97.06534	0.8
97.10185	1.1
99.04462	1.0
101.02409	1.5
105.07053	3.8
105.07663	0.7
107.08607	3.2
109.02885	0.8
109.10166	2.1
113.59829	0.5
117.07032	1.6
117.38493	0.5
119.08576	2.7
121.06556	0.6
121.10152	2.6
125.09698	1.0
127.03972	0.7
129.05533	0.6
130.24149	0.5
131.08604	2.4
133.10121	2.5
135.11711	1.2
137.09732	0.5
145.10155	1.6
147.11708	1.0
149.13281	0.8
149.60495	0.5
151.11203	0.5
157.06641	0.6
159.11717	1.4
161.13229	0.6
165.69408	0.5
173.13304	0.7
185.04227	0.8
185.28084	0.5
189.05592	0.5
189.11327	0.6
223.13298	0.8
229.14426	0.8
237.81200	0.5
239.16487	0.7
243.08395	3.8
291.19672	1.5
331.18976	1.7
333.20319	1.1
335.25909	1.7
387.21698	0.8
389.23169	0.7
425.34225	1.4
439.19666	0.8
453.21002	0.9
499.38062	1.4
517.38977	3.6
549.26794	5.8
551.28278	5.6
859.48096	100.0
860.47821	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	859.4819
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
60.15836	0.4
61.02929	2.7
67.05510	5.7
69.03433	2.8
69.07071	4.0
69.39189	3.5
71.04978	0.5
73.02918	2.5
73.42306	0.4
79.05502	4.8
81.03419	2.7
81.07060	5.1
83.04982	0.9
83.08635	1.6
85.02901	3.4
85.06586	0.6
88.36284	0.5
91.03916	2.2
91.05483	4.0
93.07050	3.7
95.04989	1.4
95.08608	2.3
97.02900	4.3
97.06523	0.8
97.10183	1.9
99.04478	1.0
99.08103	0.6
101.02399	1.1
105.07051	2.3
107.04991	0.5
107.08587	2.6
107.51369	0.4
109.10181	1.7
111.08067	0.6
117.07022	1.2
119.08614	1.8
121.06562	0.6
121.10095	1.0
125.09647	1.3
127.03915	1.1
131.08575	1.5
132.58871	0.4
133.10126	0.8
135.11728	1.0
137.87712	0.5
145.10161	1.1
147.11714	0.9
149.13335	0.8
159.11771	0.5
203.05226	0.7
223.13393	1.5
231.66664	0.4
233.29781	0.4
243.08472	3.4
247.64951	0.4
256.82889	0.4
270.86246	0.5
275.20248	0.7
291.19763	1.5
331.19095	1.7
332.19138	0.4
333.20563	1.9
335.25861	0.7
368.41495	0.5
387.21851	0.5
389.22928	0.6
439.19522	0.8
446.46802	0.6
453.20862	0.8
549.26569	4.1
551.28381	6.3
761.40869	0.7
804.68561	0.6
859.48138	100.0
860.47729	3.2
893.58966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	6.3
67.05507	1.4
69.03429	3.7
69.07083	0.4
69.30431	0.3
69.37051	2.2
71.01343	0.7
71.04998	0.8
73.02914	4.6
79.05490	2.2
81.03416	5.5
81.07060	2.8
83.04992	1.2
83.08617	1.7
85.02907	9.5
87.04472	0.5
88.27103	0.2
91.03957	3.6
91.05483	3.3
92.99671	0.3
93.07032	1.9
95.04974	1.8
95.08625	1.0
97.02892	7.3
97.06527	0.7
99.04472	1.0
101.02358	2.3
103.03969	0.5
105.07017	2.0
107.04975	0.8
107.08620	0.9
109.02894	1.6
109.06521	0.4
111.04436	0.7
111.08077	0.8
113.06017	0.4
115.03931	0.6
119.08564	1.8
121.10181	0.9
123.08099	0.3
127.03915	2.5
129.07039	1.0
131.08607	1.1
132.01476	0.3
133.06503	0.4
133.10147	1.1
136.06187	2.4
137.05925	0.3
137.09604	0.3
137.25003	0.3
142.07872	0.3
145.05032	0.8
147.11714	1.2
149.09628	0.6
157.10106	1.8
162.07742	3.3
163.08107	0.3
175.11150	1.3
185.04292	0.8
189.35422	0.3
193.12245	3.2
203.05325	1.1
211.13319	1.6
243.08392	2.3
251.12675	1.7
267.09006	0.4
267.16122	0.3
285.17068	0.7
287.90442	0.3
307.15088	1.4
347.09415	2.8
363.09146	0.4
365.10703	1.0
405.13663	6.1
440.68509	0.3
469.20459	16.6
470.21036	0.4
535.28430	0.4
631.25684	14.6
632.25513	0.4
647.34705	0.9
697.34363	2.7
719.00098	0.3
809.39716	1.3
859.39294	100.0
860.39551	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21675	0.3
61.02932	7.6
67.05507	3.2
69.03434	4.3
71.01359	0.6
71.05003	1.1
73.02930	5.1
76.56242	0.4
77.97311	0.4
79.05505	2.4
81.03424	6.4
81.07052	3.1
83.01354	0.7
83.05000	2.1
83.08617	1.8
85.02909	9.5
85.03379	0.7
87.04455	0.5
91.03953	4.2
91.05482	3.9
93.07021	2.5
95.05001	2.4
95.08620	1.4
97.02898	7.3
97.06544	0.8
99.04462	1.3
101.02394	2.9
103.03929	0.4
104.56612	0.4
105.07040	2.3
107.04968	0.8
107.08619	1.5
108.19878	0.4
109.02897	1.2
109.06526	1.2
109.10198	0.7
111.08091	0.7
115.03970	1.0
117.07078	0.5
119.08591	2.6
121.06541	0.6
121.10176	1.2
127.03923	2.9
129.07028	0.7
131.05011	0.4
131.08578	1.0
133.10175	1.4
135.11726	1.0
137.09656	0.6
139.13309	0.4
145.05006	1.1
145.10152	1.8
147.11684	0.9
149.09676	0.9
149.13321	0.5
157.10170	0.8
163.11243	1.5
175.11256	1.0
185.04269	0.9
189.05576	0.5
193.12329	1.4
203.05293	0.7
209.11993	0.4
211.13380	1.0
243.08374	2.6
249.10965	0.5
251.12624	0.5
267.16003	1.0
268.09839	0.4
268.16406	0.5
269.17642	0.9
270.18018	0.5
283.15567	0.9
285.10031	0.6
289.09088	0.5
307.15137	0.8
347.09515	2.4
365.10675	0.8
405.13647	6.1
461.29141	1.3
462.29605	1.6
467.18875	7.8
469.20544	10.0
629.24243	6.4
631.25818	7.8
695.32288	2.3
857.37787	100.0
858.38281	3.9
864.48053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.2
67.05508	2.0
69.03440	3.6
69.07079	1.3
69.46524	4.4
71.01350	0.7
71.05009	0.7
71.08631	1.6
73.02914	3.2
79.05493	2.3
81.03417	1.8
81.07072	2.5
83.04963	0.6
83.08616	1.3
85.02911	6.6
91.03954	3.8
91.05488	1.3
93.07057	2.6
95.08631	2.5
97.02887	5.1
97.03365	0.5
97.10181	1.3
99.04507	0.6
101.02403	2.1
105.07024	1.0
107.08587	1.9
109.10194	2.0
117.06992	0.7
127.03966	1.9
133.10176	1.0
135.11658	3.3
182.28320	0.6
185.04314	1.5
203.05264	1.0
221.11517	0.6
243.08569	2.1
259.08029	0.7
313.27542	0.8
338.14255	0.6
347.09491	3.3
365.10712	1.0
375.44690	0.6
405.13687	5.9
439.19339	10.2
497.30966	5.7
533.36975	0.7
578.17163	0.7
601.24744	10.5
659.36151	4.9
695.42938	4.1
750.09540	0.7
857.48669	100.0
858.48798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.2
62.76747	1.3
65.03931	1.6
67.05513	10.1
69.03426	8.2
69.07069	3.7
69.86138	6.9
70.06597	3.5
71.01376	6.4
71.04999	4.7
73.02912	7.6
75.04486	2.2
77.03917	2.1
79.05499	23.9
81.03419	11.9
81.07062	10.2
81.45847	1.3
82.04198	8.0
82.07373	1.3
83.01333	1.4
83.04973	3.0
85.02908	24.1
85.09583	1.2
91.05489	19.8
93.07037	20.3
95.01323	7.5
95.04980	14.2
95.08616	7.3
97.02895	11.1
97.06546	7.6
97.24242	1.3
99.00838	1.5
99.04456	6.4
99.08086	1.8
101.02417	2.0
103.03952	4.7
103.05487	10.1
105.04568	2.2
105.07036	65.9
107.04954	10.3
107.08619	9.1
108.08943	1.4
109.02892	5.0
109.06520	4.8
109.10184	2.7
111.04502	2.0
113.02349	7.0
115.05464	3.2
117.07035	14.7
119.04960	9.8
119.08588	16.3
120.08923	3.3
121.02901	1.4
121.05676	2.4
121.06515	32.9
121.10149	4.6
123.08112	1.5
127.03911	3.8
128.06203	3.9
129.01819	4.7
129.05501	3.7
129.07024	7.0
130.07779	5.5
131.03401	2.2
131.04936	6.3
131.08574	24.1
132.08932	1.7
133.06490	17.6
133.10135	8.9
135.04408	14.9
135.08078	3.8
135.11700	1.5
136.06180	2.9
137.06017	3.0
139.03818	1.9
139.07509	1.8
141.01830	14.0
141.07011	4.1
142.02168	2.0
142.07762	4.6
143.08559	11.7
144.09381	7.9
145.02843	3.7
145.06487	13.0
145.10130	71.4
146.10535	2.6
147.04439	3.1
147.08018	2.4
147.11745	5.3
149.04819	1.8
149.05989	31.8
149.13188	2.1
151.07549	2.4
154.07758	3.0
155.08521	3.7
156.07817	3.5
157.01376	2.0
157.10176	12.1
158.07294	9.1
159.02893	3.8
159.04424	8.4
159.08066	14.6
159.11702	69.3
160.11984	2.4
161.09682	3.2
163.03909	7.5
163.07520	2.5
167.07051	14.7
167.08495	2.4
169.05000	2.1
169.08694	2.7
169.10118	11.2
171.08060	3.6
171.11700	4.2
172.08853	5.4
172.12070	2.1
173.09631	31.5
173.13208	2.9
175.03928	5.7
177.04111	3.9
177.05479	100.0
179.08524	2.9
182.07262	1.6
183.11707	2.4
185.09616	3.2
185.13333	2.7
187.11186	77.5
187.14662	2.7
189.05411	1.7
189.12735	2.3
191.10747	2.1
195.06540	27.8
195.08270	2.8
197.08234	1.4
197.09677	10.6
199.14838	2.5
201.16428	2.3
205.12253	12.4
213.07402	2.0
213.09251	2.4
213.16272	2.1
215.05486	4.3
215.10681	81.2
215.17657	1.5
233.11722	12.8
251.12796	3.3
259.09747	1.5
261.14944	6.1
279.15863	7.1
289.14359	53.6
307.15417	54.6
311.13040	1.4
327.12524	1.7
331.08249	2.0
331.15543	3.3
341.13766	1.9
341.59573	1.3
359.14896	1.6
377.16064	4.3
397.15906	1.6
401.15939	2.2
405.31204	2.3
406.31766	2.3
407.32343	1.6
415.17606	2.5
419.16995	4.6
425.33072	1.4
433.18600	2.6
434.31360	3.4
437.18497	2.4
447.16498	7.5
451.19711	14.4
452.32462	2.6
453.32877	1.7
465.17715	10.1
469.20947	6.5
483.18811	20.2
573.20453	1.9
591.20886	1.9
609.22046	2.8
627.22815	5.8
645.24475	3.3
659.23175	1.9
687.44958	1.8
709.13214	1.7
784.74860	1.4
803.25281	1.7
821.27698	2.0
857.31274	2.5
857.45294	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	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	1.2
65.03936	4.2
67.05506	88.7
67.48022	1.0
69.03432	11.0
69.07069	49.2
70.60590	2.6
70.60923	2.1
71.04996	6.7
73.02905	2.5
77.03917	1.9
79.05494	75.7
81.03416	17.2
81.07057	100.0
81.27885	1.2
83.04981	17.6
83.08621	20.3
84.15446	1.1
85.02907	7.2
85.06537	5.1
86.09728	1.4
87.04449	1.1
91.03986	1.6
91.05479	62.2
91.16567	1.2
93.07043	70.1
95.04960	17.1
95.07989	2.2
95.08607	46.0
97.02894	6.6
97.06531	20.2
97.10175	19.9
99.04463	2.6
99.08099	2.3
103.05449	3.5
105.04520	1.7
105.07031	56.9
107.04962	15.7
107.08597	52.1
109.02893	2.8
109.06524	11.4
109.10166	19.3
111.04420	1.6
111.08092	8.2
113.09652	2.5
117.07014	25.8
118.53007	1.3
119.08580	38.4
121.06479	7.9
121.10138	22.5
123.04430	1.7
123.08067	7.7
123.11695	7.2
125.09633	15.8
127.03917	6.0
128.06187	2.6
129.05482	1.9
129.07008	11.8
130.07799	1.3
131.08565	33.8
133.06497	3.1
133.10135	35.2
135.08084	8.8
135.11693	20.8
137.09633	4.1
137.13350	1.1
139.11172	1.5
141.06963	3.1
142.07710	1.3
143.08578	10.1
145.04919	2.0
145.06474	3.0
145.10133	29.0
147.08044	3.9
147.11676	19.6
149.09625	18.9
149.13252	11.0
151.11182	3.2
153.09087	2.0
155.07420	1.2
155.08585	6.0
157.10133	9.1
159.08002	2.4
159.11678	21.9
161.09618	4.2
161.13277	9.2
163.11201	14.9
165.12732	2.4
169.10138	6.3
171.10210	2.3
171.11699	7.1
173.04408	2.7
173.09639	2.1
173.11861	1.8
173.13234	8.1
175.09679	1.4
175.11176	3.2
175.14775	1.5
177.12770	6.9
179.14326	5.8
181.10146	2.9
181.12274	1.3
183.11646	5.8
184.07323	3.6
185.09692	1.4
185.13272	4.0
187.11131	4.3
187.14838	2.2
189.11209	9.3
189.12677	2.6
191.14336	1.4
193.10168	1.5
193.12213	1.5
195.11707	3.3
195.13815	5.6
197.13251	4.5
199.14844	2.7
201.12621	2.4
203.14319	2.1
205.12299	1.4
207.11809	1.3
209.13263	3.1
211.14912	2.2
227.12761	22.0
229.14403	3.7
229.19507	3.9
235.17017	1.5
239.17924	5.3
245.13660	2.5
247.20538	3.5
251.16313	1.5
253.14397	1.9
253.18042	2.4
255.15862	13.0
257.19034	14.0
267.15848	3.2
269.17468	32.8
273.18298	1.6
275.20068	62.3
277.21509	2.2
291.19186	1.3
293.21130	4.1
313.21527	1.7
315.23160	1.2
321.24332	1.4
331.22736	4.5
339.18060	1.3
349.23715	58.1
350.23935	1.2
361.75446	1.3
367.24646	6.5
413.21616	1.4
423.27264	3.0
431.28256	2.1
433.30914	2.3
435.27380	2.3
439.26675	2.4
445.29404	3.2
447.31067	1.4
449.29089	12.3
451.31931	2.5
463.30563	15.7
469.33231	2.8
503.33536	2.7
515.37012	2.1
519.33380	3.2
525.36127	6.3
525.43182	1.2
527.37091	2.2
529.35358	15.1
543.36816	46.2
547.36407	1.4
561.37646	4.7
595.43256	1.5
605.41791	1.6
607.34509	2.5
623.43085	14.2
641.43695	5.2
680.27417	1.4
857.46295	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.6
64.92576	1.1
65.03942	4.5
67.05505	76.5
69.03429	9.2
69.07069	42.4
71.01368	1.3
71.04995	7.2
71.54894	1.6
73.02908	2.8
77.03920	1.5
79.05494	68.9
80.05859	1.1
81.03418	16.4
81.07056	100.0
81.20667	1.1
83.04987	16.9
83.08160	1.7
83.08618	21.4
85.02907	6.6
85.06557	5.8
91.05479	62.0
93.07043	75.2
95.04961	13.8
95.08607	44.8
97.02898	7.8
97.06528	19.4
97.10180	14.0
99.04459	2.4
99.08097	3.8
103.05466	1.6
104.08234	1.1
105.04520	2.8
105.07030	54.2
107.04975	12.6
107.08592	56.5
109.02843	3.4
109.06528	9.8
109.10160	17.9
111.08089	9.3
113.06001	1.3
113.09634	2.0
115.05426	3.8
117.07012	22.8
117.07737	0.9
119.08585	35.5
121.06507	8.4
121.10132	25.8
123.08065	5.2
123.11721	5.8
125.09654	10.1
127.03903	4.8
127.07571	1.2
128.06253	4.0
129.05513	2.5
129.06998	10.6
130.07779	2.0
131.08575	30.0
131.42236	1.2
133.06461	1.9
133.09128	1.8
133.10130	31.5
135.08087	8.2
135.11685	23.0
137.09615	4.8
139.11153	1.8
141.07016	3.2
143.08563	10.3
144.09332	1.3
145.06458	2.4
145.10118	25.5
147.08035	4.4
147.11679	16.4
149.05957	1.2
149.09625	20.5
149.13257	16.4
151.11218	3.9
153.09093	1.4
155.08537	5.1
157.10101	6.2
159.11693	21.6
161.09651	2.4
161.13255	5.7
163.11165	13.4
165.12749	2.7
169.10117	5.8
171.11693	7.0
173.04478	4.7
173.09583	1.6
173.13229	7.8
175.11229	3.6
175.14799	1.3
177.12732	7.2
179.14310	5.2
181.10147	2.0
181.12305	1.9
183.11684	4.8
184.07343	3.4
185.13245	2.8
187.11188	2.5
187.14851	2.8
189.11220	5.0
189.12714	1.9
193.12070	1.3
195.11722	2.7
195.13780	8.4
197.13261	3.1
199.14908	2.3
200.28773	1.1
201.12852	1.3
209.13188	1.9
211.14877	2.0
213.16382	1.3
227.12767	15.3
229.14333	3.8
229.19481	2.2
233.15370	1.7
235.16867	1.4
237.14592	1.5
239.17920	4.5
245.13870	2.0
247.20599	3.1
251.16313	1.9
253.14349	1.7
253.17957	2.4
255.15877	14.2
257.18991	14.7
267.15961	3.5
269.17480	52.5
273.18353	1.4
275.20071	52.6
276.20071	1.2
285.14764	1.5
291.19388	1.4
293.21130	4.5
303.15912	1.6
313.21765	1.6
321.24438	2.3
331.22760	3.1
349.23709	43.2
365.23047	1.4
367.24722	6.0
381.95169	1.1
413.21716	2.6
423.27261	2.5
431.27719	1.7
433.30676	1.9
435.27307	2.1
439.27112	1.6
445.29257	1.5
447.31509	1.3
449.28903	21.9
451.31891	2.1
463.30594	30.0
469.33063	1.4
485.32657	1.8
503.33444	2.2
511.34436	2.4
513.35620	1.3
515.37347	2.6
517.92883	1.2
519.32874	1.9
525.35785	6.4
529.35352	11.2
543.36804	52.1
547.36200	2.4
561.37854	7.3
595.42383	1.2
607.34094	2.3
623.43091	9.1
628.75574	1.3
641.43640	6.1
659.45233	1.7
669.39917	1.3
687.39893	1.3
856.44769	5.5
857.45984	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.7
62.84763	1.4
67.05507	19.8
68.99795	17.4
69.03423	5.4
69.07070	17.3
71.01357	12.5
73.02912	7.2
79.05496	14.1
81.03430	2.5
81.07063	41.1
83.01338	3.3
83.08623	13.1
85.02908	100.0
87.00815	4.7
91.05475	14.2
93.06480	2.7
93.07045	37.1
95.01337	21.1
95.05005	2.0
95.08609	60.6
97.02901	9.0
97.06535	3.7
97.10155	4.8
98.97566	2.1
99.00832	3.5
99.08077	3.2
101.02359	5.6
103.03922	11.2
103.05433	1.7
105.07037	42.4
107.08598	53.1
109.10159	51.6
109.10796	1.3
111.00804	13.9
111.08120	8.6
111.11755	2.0
113.02364	19.0
115.00305	1.7
117.07017	5.0
119.08582	63.0
121.09337	2.6
121.10149	35.6
123.00699	2.0
123.08051	2.1
123.11719	12.1
129.01846	91.6
129.06995	6.4
131.03418	14.2
131.08557	27.0
133.10136	38.4
135.07982	2.1
135.11682	27.3
137.13196	4.3
139.00256	27.1
139.11142	2.4
141.01823	67.4
143.08574	10.4
145.10124	37.5
147.02884	31.6
147.11685	41.7
149.13263	51.3
153.09128	3.1
153.12836	1.8
155.08536	4.3
156.09172	1.5
157.01328	21.6
157.10104	11.7
159.02887	23.8
159.11693	31.9
161.13255	29.9
163.07524	3.6
163.14833	14.1
165.12794	1.6
169.10143	5.2
170.10873	2.2
171.11687	14.1
173.13257	26.3
175.02393	12.8
175.14828	29.7
177.03935	20.6
177.09152	2.3
177.12717	1.7
177.16370	19.2
179.14253	2.2
183.11713	6.3
185.13272	21.9
187.14824	33.2
189.05597	1.8
189.16389	41.0
191.17966	12.0
193.03426	4.7
193.12263	2.0
195.11766	2.5
197.13274	5.1
199.14835	19.3
201.16389	57.9
203.14406	10.5
203.17978	36.3
203.19777	2.9
205.15897	22.7
205.19376	3.4
207.17438	17.2
209.13307	3.0
211.14835	6.1
213.16370	20.2
215.14371	4.4
215.17944	14.7
217.12190	2.8
217.15886	3.6
217.19540	6.2
219.17542	8.1
221.18994	3.1
223.14720	2.0
225.16388	4.6
227.01872	2.7
227.17947	7.9
229.19589	5.3
231.17447	2.9
233.15387	3.3
233.18970	5.2
237.16364	2.8
239.17929	8.6
241.19487	7.8
243.21117	3.1
245.15424	9.7
247.17000	17.7
249.14760	10.7
249.18544	3.7
253.19536	4.6
255.21054	4.3
259.16971	8.3
261.14996	2.0
267.21072	5.6
271.16830	2.2
273.18417	2.4
279.20984	3.3
281.22647	3.2
285.18640	3.5
287.03937	9.2
287.19992	2.9
293.22733	3.4
297.18497	2.4
299.20087	6.3
300.99460	1.6
301.21692	2.0
305.05048	22.5
307.24011	1.7
310.07281	1.7
313.21790	1.9
315.03445	6.4
327.23410	3.8
333.04547	23.7
341.24817	2.1
349.28729	5.1
351.05597	97.7
353.24673	2.9
367.30054	4.6
377.32309	1.8
389.32059	18.6
391.33640	5.4
395.29260	16.3
405.31625	2.4
407.33118	40.6
409.34677	4.3
413.30392	9.6
423.32452	11.8
425.34317	13.0
435.32611	86.5
441.33939	3.2
453.33661	90.3
454.34247	1.7
471.34714	11.7
739.36328	2.3
757.38477	3.0
785.36499	2.0
803.38300	6.1
821.39514	25.4
822.38696	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.0
65.03940	2.2
67.05508	52.6
69.03442	11.7
69.07075	33.3
70.83191	1.4
71.05002	4.7
71.55592	1.9
73.02903	2.3
76.47865	1.6
79.05499	42.7
81.03429	14.3
81.07060	46.1
83.04997	9.7
83.08618	15.5
85.02905	3.9
85.06534	3.3
91.05488	34.4
93.07045	42.3
94.04205	1.9
95.04961	9.4
95.08065	2.2
95.08615	25.6
97.02894	10.9
97.06530	11.8
97.10164	14.5
104.29694	1.7
105.06393	2.6
105.07043	29.5
107.04948	12.8
107.08604	27.9
109.02876	2.9
109.06535	5.7
109.10159	12.7
111.04481	2.4
111.08087	6.5
112.20934	1.5
115.05458	3.9
117.07017	16.8
119.04916	2.3
119.08588	21.7
121.06518	5.8
121.10136	13.0
123.08060	3.4
123.11702	3.0
125.09647	14.1
127.03873	2.8
129.06999	6.9
131.08566	18.1
133.06522	4.3
133.10135	18.1
135.08076	5.9
135.11731	9.9
137.09592	1.6
139.11168	1.5
142.07803	1.7
142.43759	1.4
143.08607	4.9
145.06537	1.7
145.10120	14.4
147.08067	6.0
147.11734	8.3
149.09613	9.5
149.13275	6.6
151.11188	3.6
153.09169	1.9
157.10136	5.3
159.11725	9.4
161.09608	5.0
161.13264	3.8
163.11200	6.5
165.09091	2.9
167.34795	2.0
171.10199	3.1
171.11612	2.8
173.13272	3.7
175.11151	2.2
177.12769	2.8
179.14372	2.2
181.12309	2.1
183.11700	2.1
185.13214	2.4
187.11279	1.9
187.14703	1.8
189.11256	7.2
195.13831	4.2
197.13297	2.1
205.12282	2.0
223.13295	18.6
227.12775	16.3
229.14384	1.7
239.18007	2.5
246.54173	1.7
249.14615	1.5
253.14291	3.7
255.15993	5.7
257.19040	8.5
263.20139	1.7
267.15802	2.2
269.17572	14.4
273.18533	17.2
275.20029	22.7
291.19556	100.0
308.23163	1.5
318.57541	1.5
321.24466	1.5
331.22772	3.0
347.22223	3.5
349.23816	22.6
350.23938	1.7
365.23245	49.8
367.24823	1.8
388.54324	1.6
461.28821	1.5
541.34680	1.8
543.36658	1.9
545.34631	15.1
559.36359	49.9
569.29791	1.7
621.41797	3.4
639.42480	30.3
657.43542	3.3
703.39496	2.3
738.19525	1.6
854.45764	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	854.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	7.7
65.03909	1.7
67.05505	20.7
67.05844	0.7
69.03093	0.5
69.03426	5.8
69.07068	5.8
69.40777	5.1
71.01318	0.8
71.05005	4.6
73.02869	2.5
78.61813	0.7
79.05493	25.3
81.03419	77.2
81.07056	29.1
83.04984	18.9
83.08618	28.8
85.02905	35.9
85.06513	2.0
87.04422	0.8
91.03975	4.9
91.05481	33.3
93.07043	18.5
95.04971	31.6
95.08063	0.8
95.08601	10.2
97.02891	10.3
97.06549	3.9
97.10182	3.7
98.75567	0.6
99.04428	1.1
99.08060	1.7
105.04470	0.9
105.07030	24.6
107.04960	8.3
107.08001	0.7
107.08589	8.2
109.02856	1.0
109.06506	5.7
109.10143	3.0
111.04404	2.9
111.08077	12.3
113.06025	3.8
115.05414	2.2
116.06187	0.7
117.07009	2.5
118.67332	0.6
119.08587	23.8
121.06476	1.7
121.09357	1.0
121.10143	11.2
123.08073	3.9
123.11662	2.2
125.09559	1.3
127.03911	1.4
127.07502	0.9
128.06212	0.7
129.06999	11.8
131.07623	1.2
131.08565	14.5
133.06523	3.7
133.09122	0.9
133.10132	14.2
137.09576	2.1
142.07748	2.7
145.04942	3.0
145.06526	0.7
145.10094	2.9
147.08032	3.4
147.11688	20.9
149.09625	8.2
151.11108	0.8
157.10126	20.3
163.03925	0.8
163.05968	2.3
163.11140	0.8
165.12753	4.1
175.11188	19.2
193.12244	57.2
211.13290	79.0
212.13608	0.9
233.15434	0.8
249.14915	1.2
267.15906	45.9
273.10144	0.7
285.16959	86.9
306.33252	0.6
349.21655	0.7
357.24060	0.8
367.22659	2.8
385.23715	4.6
403.24799	1.5
433.25955	2.4
441.26480	2.4
459.27417	39.3
477.28510	39.9
478.28741	0.9
495.29535	100.0
496.29761	2.0
638.67920	0.8
639.33679	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	852.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	5.5
61.03204	1.0
66.10384	0.7
67.05510	24.2
69.03420	0.9
69.07075	8.0
71.01345	2.0
71.04969	1.7
71.08247	0.8
71.08634	13.0
73.02898	2.0
79.05500	16.7
80.79769	0.6
81.03405	2.6
81.07065	14.2
83.04986	5.4
83.08625	6.3
85.02920	6.9
85.06532	2.1
85.10173	6.6
87.58392	0.6
91.03973	4.0
91.05499	7.4
93.07050	22.2
95.04933	2.0
95.08611	12.9
97.02880	2.7
97.06551	6.4
97.10181	8.4
98.21526	1.5
99.08064	0.9
99.11703	0.8
105.07021	2.3
107.04954	0.7
107.08603	16.1
109.06557	0.9
109.10164	6.9
111.08081	1.3
114.27835	0.7
117.07024	2.1
119.08586	3.1
121.10129	3.6
123.11698	1.9
125.09650	1.1
127.03944	1.6
133.10133	2.2
135.11702	31.3
137.09612	0.8
142.32504	0.7
145.04982	1.7
145.10127	5.2
153.12781	1.5
163.06035	2.0
163.11159	3.8
181.12218	6.7
192.13614	0.7
199.13321	1.0
229.08527	0.7
239.23657	1.2
254.61256	0.8
255.15927	100.0
256.16342	1.3
257.24728	1.4
313.27386	44.3
314.27808	1.3
335.25842	1.0
492.37723	0.9
493.38925	85.3
494.38971	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	852.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.0
65.03944	0.7
67.05504	10.0
69.03431	2.3
69.07063	2.8
70.73827	0.8
71.01350	0.8
71.04991	2.8
73.02917	1.7
77.03922	0.6
78.43650	0.3
78.47978	0.3
79.05493	13.4
81.03418	29.8
81.07055	13.9
83.01344	3.4
83.04980	9.2
83.08622	12.4
85.02905	15.2
85.06544	1.0
87.04447	0.4
91.03947	4.3
91.05481	13.9
93.07043	13.6
93.07642	0.6
95.04966	11.0
95.08613	5.8
97.02895	4.6
97.06529	3.7
97.10161	2.2
99.04443	1.1
99.08086	0.6
101.02394	0.4
105.04533	0.3
105.07030	10.0
107.04951	5.1
107.08588	7.8
108.07636	0.3
109.02856	0.5
109.06502	3.6
109.10147	1.6
111.04428	2.4
111.08080	4.7
111.08797	0.6
113.05994	0.9
115.05461	0.6
117.07014	2.9
119.08578	9.7
119.09368	0.7
120.53792	0.3
121.06493	1.8
121.10139	6.0
123.04414	0.5
123.08047	3.8
123.11690	0.8
125.05979	1.0
125.09608	1.8
125.48908	0.3
127.03937	1.6
128.06189	0.3
129.06996	3.8
130.07791	0.4
131.04953	0.4
131.08569	5.4
133.06496	1.5
133.10130	5.3
135.08057	0.8
135.11696	5.0
137.09602	1.3
141.83672	0.4
142.07774	1.0
143.08524	0.8
145.04929	1.7
145.06529	0.5
145.10110	6.8
147.08049	2.3
147.11673	6.2
149.09636	2.9
151.07484	0.3
151.11194	0.5
153.12753	1.3
155.08569	0.8
157.10144	5.7
163.03859	0.4
163.06032	1.6
163.11183	10.0
163.12546	0.7
165.12759	1.2
167.07036	0.4
171.63039	0.3
173.09622	1.7
175.11194	5.9
181.12180	0.9
181.36006	0.3
191.10664	1.2
193.12241	17.8
200.53308	0.3
203.17999	0.4
204.06627	0.4
209.11748	2.3
211.13293	27.4
227.12787	1.4
265.14307	0.5
267.15915	6.3
283.15402	32.2
284.15878	0.6
285.16962	23.5
286.17343	0.5
383.22141	1.6
401.23254	1.0
417.02402	0.4
457.25842	3.0
475.26910	15.3
476.27341	0.5
483.64203	0.4
493.27960	100.0
494.28137	2.7
543.67456	0.4
637.32306	1.1
726.00397	0.4
785.95319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68284	0.8
64.58797	0.9
69.03421	1.3
69.69939	5.0
69.70341	2.1
73.07944	1.1
81.67394	1.0
85.02910	2.6
90.86705	0.9
91.05459	2.5
97.02908	1.3
119.01894	1.3
119.04933	3.1
129.02296	1.0
134.86911	1.0
147.04457	5.5
161.03026	0.9
167.04065	0.9
175.03935	3.6
177.05479	1.8
179.07074	1.4
189.05518	5.2
197.45041	1.1
204.55009	1.1
207.06564	3.8
352.06427	1.3
387.44809	1.0
442.59860	1.1
443.09552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01810	1.4
61.02919	4.2
65.03904	1.6
67.05508	19.4
69.03444	10.5
69.07062	7.5
69.28796	13.0
71.01350	1.3
71.04987	3.3
71.08637	15.8
73.02213	1.2
73.02912	3.7
76.38871	1.4
79.05496	13.8
81.03421	49.1
81.07053	22.7
83.04990	11.3
83.08620	17.8
85.02908	15.7
85.06548	1.7
85.10178	8.5
86.09718	3.2
91.03914	1.5
91.05490	15.5
93.07054	9.8
95.04971	14.5
95.08623	18.5
97.02894	14.0
97.06526	2.7
97.10175	5.6
99.04460	2.4
99.08099	1.8
105.07038	11.3
105.81299	1.8
107.04967	3.6
107.08599	7.1
109.02888	6.1
109.10152	11.5
111.04451	5.8
111.08097	4.8
112.83946	1.2
119.08595	11.2
121.06552	2.4
121.10144	7.0
123.11732	4.1
125.00016	2.7
125.09682	1.6
127.03922	10.0
129.05490	5.1
129.07008	6.2
131.08594	4.3
133.10156	7.7
135.11642	1.7
137.13278	1.8
145.10179	2.1
147.08032	2.1
147.11722	9.9
148.77950	1.5
149.09656	3.5
154.18600	1.3
157.10147	7.7
163.11206	2.4
165.12700	2.1
175.11218	8.7
181.12299	1.7
184.07327	7.9
192.65634	1.6
193.12227	22.2
211.13280	29.7
211.15262	2.1
227.12729	1.9
229.14389	3.3
239.23703	1.9
249.14848	1.9
267.15915	14.9
285.16989	10.0
313.27374	46.0
319.15436	3.2
355.17670	3.9
411.20325	4.0
429.21243	15.7
505.38840	12.1
523.39954	100.0
524.40594	2.5
547.39697	2.1
569.28894	2.2
624.47192	1.5
649.42792	2.0
667.44324	17.3
847.51501	53.0
848.51935	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.8
67.05512	8.6
69.03419	3.4
69.85947	2.5
69.86333	2.9
71.04999	2.1
71.21127	1.1
73.02901	3.9
79.05491	3.7
80.07462	1.4
81.03407	5.9
81.07056	2.8
83.04996	1.4
83.08598	1.3
85.02904	5.1
87.04443	1.4
91.03959	3.8
91.05478	3.4
93.07062	2.9
95.08620	2.2
97.02886	4.7
99.04526	1.3
101.02406	1.7
105.06995	1.9
107.08617	1.4
109.10161	5.6
111.08060	1.6
119.08552	2.4
121.10148	1.4
125.09830	1.0
127.03918	1.7
131.08543	1.8
147.11713	2.3
149.09673	2.4
161.09425	1.1
173.11671	1.6
175.11115	1.5
184.07445	1.3
185.04253	1.5
193.12247	1.7
229.14243	1.5
243.08418	2.9
256.25766	1.2
266.18243	1.2
271.26627	1.2
283.15125	5.4
301.08932	2.5
309.16739	1.4
339.17831	1.5
385.18573	2.0
399.19907	1.7
413.17822	14.8
414.26382	1.3
427.19507	2.1
441.20792	1.5
469.20297	2.4
501.23090	27.1
511.28732	1.4
529.22430	4.8
573.25171	3.1
593.77667	1.4
643.32166	1.6
673.34125	100.0
674.34198	2.8
699.34723	1.8
701.36682	3.5
729.36200	3.2
843.43518	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	845.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.1
67.05501	5.5
69.03424	2.9
69.07048	2.4
69.19378	1.0
69.19792	3.9
71.04997	0.8
73.02911	3.2
79.05484	4.2
81.03410	2.5
81.07053	4.8
83.04968	0.9
83.08616	1.2
85.02895	4.1
86.09710	1.2
87.04459	0.5
87.05024	0.6
91.03970	2.2
91.05479	4.3
93.07042	4.7
95.04988	0.9
95.08611	3.3
95.25559	0.4
97.02883	4.7
99.04477	0.7
100.08474	0.5
101.02396	1.6
105.07030	3.8
107.04943	0.6
107.08607	3.4
109.02885	0.7
109.06525	0.5
109.10182	1.7
111.04451	0.5
117.07042	0.9
119.08574	2.5
119.33354	0.4
121.10175	1.4
123.08083	0.7
124.99985	0.8
125.09655	0.6
125.32504	0.5
127.03950	1.4
129.05498	0.5
129.06956	0.7
131.08598	1.6
133.10190	1.8
135.08127	0.9
135.11707	1.2
143.58432	0.5
145.10176	1.3
145.76190	0.4
147.11734	1.4
159.11740	1.0
161.13297	0.5
171.11786	0.9
173.13222	0.6
184.07314	3.5
243.08432	2.7
301.08997	1.5
313.27347	0.8
317.20792	0.6
328.03973	0.5
333.20432	2.4
355.13818	0.5
359.28677	0.4
373.10803	0.8
373.23233	0.6
389.22952	0.5
453.20999	1.4
465.21097	1.0
470.12122	0.6
535.28735	6.3
541.03125	0.5
551.28333	7.3
623.30347	0.9
845.50195	100.0
846.50354	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	840.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05182	0.7
67.05508	10.1
68.99789	0.7
69.03436	0.9
69.06726	0.9
69.07071	11.5
70.06584	0.5
71.08649	1.1
71.55989	0.6
79.05489	6.8
81.03398	1.2
81.07059	28.7
83.04953	0.6
83.08624	8.6
85.02909	8.3
91.05481	6.6
93.07048	15.9
95.01288	0.6
95.04977	1.3
95.08609	48.0
97.02879	1.3
97.10184	4.5
103.05509	0.6
105.07030	11.2
107.04951	0.7
107.08598	25.4
109.06506	1.1
109.10157	22.5
111.00825	1.3
111.11725	1.9
113.02314	0.8
117.07030	2.3
119.08583	21.1
121.10144	25.1
123.08078	0.9
123.11710	15.4
125.05965	0.7
129.01854	5.7
129.06995	2.8
131.08575	10.3
133.06526	0.7
133.10130	13.2
135.11697	17.9
136.06224	3.6
136.07472	0.5
137.13255	16.8
139.00270	1.8
139.84525	0.5
141.01833	1.8
143.08578	6.5
145.10120	10.9
147.02887	2.1
147.08040	0.8
147.11690	9.5
149.13258	21.7
151.07574	0.7
151.14810	3.4
152.05644	0.9
153.09140	1.9
155.08540	0.9
156.09273	0.9
157.01329	1.6
157.10136	5.1
159.02899	0.8
159.07959	0.5
159.11691	8.7
161.09683	1.0
161.13248	7.6
162.07776	3.3
163.03978	1.0
163.07549	0.8
163.11232	1.3
163.14818	5.4
165.16388	0.6
167.07101	0.8
167.10699	0.6
169.10141	1.9
171.11690	4.4
173.09715	0.7
173.11780	0.6
173.13280	12.0
175.02425	1.2
175.07626	0.7
175.14832	8.0
177.05453	0.6
177.09106	2.1
177.12831	0.6
177.16385	17.6
179.10732	0.8
181.10452	0.6
183.11734	1.8
184.12578	0.9
185.13255	14.8
187.11221	0.9
187.14821	7.3
187.51993	0.5
189.05493	0.7
189.09161	0.9
189.16402	7.3
191.10614	0.7
191.14319	2.5
191.17952	29.2
193.15950	0.8
193.19548	0.7
197.13216	2.7
199.14836	9.9
201.16374	16.6
203.14304	6.1
203.17964	13.5
205.15935	1.9
205.19513	12.3
207.13765	1.3
207.21132	2.0
211.14890	1.1
213.16380	16.4
214.16733	0.5
215.10579	0.8
215.17941	4.6
217.12267	2.2
217.15955	2.1
217.19527	2.4
219.13803	1.3
219.17487	1.5
219.21143	1.6
221.15443	1.1
225.16425	1.6
227.17958	3.1
229.15912	0.8
229.19554	1.6
231.13803	2.8
231.17410	2.5
231.21024	0.9
233.15388	1.9
235.17007	0.5
239.17949	2.8
241.19516	8.2
243.13899	1.1
243.21120	2.4
245.15382	5.2
247.16954	7.0
249.14856	8.6
249.18608	1.0
251.16391	1.3
253.19531	4.0
255.21143	2.4
257.15421	2.1
257.22525	0.7
259.16937	12.2
259.20090	0.8
259.20670	0.7
261.18546	1.1
263.16495	2.7
267.09061	1.6
267.15753	0.6
267.21106	2.6
269.22592	1.2
271.16943	2.1
273.18530	3.1
277.17972	1.4
281.22632	0.6
285.10132	1.5
285.18564	6.8
287.20059	8.0
295.24176	0.8
299.19968	5.9
301.21658	1.7
305.05176	0.6
313.21591	2.7
315.23111	0.7
327.23465	0.8
333.04489	0.9
351.05600	8.2
353.24606	0.6
371.25665	1.1
381.65289	0.7
391.33621	13.3
393.35114	2.6
395.29584	1.1
409.34753	5.4
419.33096	0.9
437.34171	100.0
438.34592	3.1
455.35211	52.9
456.35754	1.3
529.38202	0.5
646.34021	0.9
719.69598	0.6
808.39587	0.7
840.40540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	10.2
68.99789	1.1
69.07067	13.1
70.27240	1.8
71.08620	0.8
79.05498	6.2
81.03419	0.6
81.07056	31.2
83.08615	9.7
85.02908	8.1
91.05483	6.1
93.07045	18.4
93.07637	0.9
95.08607	52.2
97.10172	4.3
98.20783	1.1
99.08047	0.6
104.52341	0.5
105.07036	9.9
107.08597	24.6
109.06534	1.3
109.10158	22.9
110.10455	0.5
111.11729	2.1
113.02361	1.2
115.00402	0.6
117.07018	2.5
119.08582	21.1
121.10143	24.9
123.11709	17.6
129.01840	5.9
129.07007	1.7
131.08569	10.4
133.10133	10.8
135.11693	19.3
137.12192	0.9
137.13249	19.2
139.00252	2.0
139.07561	0.9
141.01843	1.6
143.08551	5.6
145.10118	10.4
147.02899	1.6
147.11688	9.3
149.13263	20.8
151.07599	0.7
151.14824	3.6
153.09125	1.5
155.08572	1.0
156.09366	0.6
157.01334	1.7
157.10132	5.5
159.02863	1.1
159.11682	7.7
161.09604	1.0
161.13263	6.4
163.07611	1.3
163.11263	0.9
163.14850	4.2
165.09120	0.7
165.16411	0.8
167.10713	0.5
169.10162	1.9
170.10928	0.7
171.11720	7.1
173.13261	12.6
175.02394	1.2
175.07561	0.7
175.14819	8.0
177.09145	2.5
177.16388	15.4
177.17851	0.9
179.17905	1.2
183.11768	2.6
184.12524	0.8
185.13258	18.1
187.14806	6.2
189.16400	6.4
191.14340	1.7
191.17949	20.4
193.19443	0.6
197.13295	2.5
199.14839	12.8
201.16377	17.8
203.14308	7.1
203.17935	8.5
205.12204	0.9
205.15918	2.2
205.19539	10.3
207.13715	0.8
207.21077	2.9
211.14833	1.5
213.16365	19.7
215.17976	3.7
217.12256	2.2
217.15971	3.9
217.19504	3.2
219.13803	0.8
219.17534	1.6
219.21004	0.9
221.15474	0.6
225.16415	2.4
227.14391	0.7
227.17934	3.9
229.12201	0.7
229.19420	1.0
231.13821	2.5
231.17528	2.6
233.15358	1.6
239.18021	2.7
241.19508	9.1
243.13806	1.0
243.21075	1.8
245.15416	5.6
247.16957	6.3
249.14864	9.3
251.16418	1.3
253.19458	5.1
255.21173	3.6
257.15445	3.2
257.18781	0.5
259.16956	11.2
259.20135	1.0
261.18579	1.5
263.16339	2.9
267.21118	2.6
269.22693	1.1
271.16953	2.4
273.18582	2.5
277.18048	1.1
279.21155	0.6
281.22653	0.7
285.18478	6.1
285.21460	0.8
287.20065	5.9
293.22607	0.7
295.24237	1.3
299.20105	6.1
301.21756	1.4
305.21545	0.6
308.00082	0.6
313.21634	2.1
321.26013	0.8
327.23157	0.8
333.04044	0.6
335.27161	0.6
336.80795	0.5
339.23318	0.8
349.29016	0.6
351.05588	6.9
353.24585	0.7
366.31766	0.6
368.08282	1.1
391.33606	14.8
393.35376	2.6
395.29544	1.1
409.34702	4.4
419.33118	1.6
437.34167	100.0
438.34793	2.5
455.35242	35.3
514.30566	0.5
538.17468	0.6
553.66858	0.5
679.55719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.0
65.03942	3.8
67.05507	76.2
69.03436	7.3
69.07075	17.5
70.13158	5.0
71.01350	3.0
71.04996	6.0
71.72590	1.0
73.02895	2.5
79.05499	32.2
81.03422	100.0
81.07061	39.1
83.01340	2.0
83.04983	11.7
83.08617	30.0
85.02908	9.2
85.06531	2.6
86.06003	1.4
86.09699	1.4
87.04454	2.7
91.05489	30.5
93.07049	22.0
95.04979	32.9
95.08611	18.5
97.02877	6.8
97.06558	7.6
97.10165	15.2
99.08081	1.9
103.05471	1.6
105.07034	23.9
107.04963	16.1
107.08607	17.0
109.02866	1.3
109.06521	8.7
109.10165	51.6
111.04459	4.6
111.08092	11.7
115.05453	2.1
116.04684	1.6
117.07001	6.5
119.04928	2.9
119.08585	24.9
121.06500	8.5
121.10144	11.1
121.66853	1.2
123.04430	3.6
123.08066	5.4
123.11707	1.1
125.05934	1.2
125.09645	12.8
128.06206	2.0
129.05492	2.6
129.07024	13.5
131.04886	2.0
131.08586	13.7
133.06493	5.1
133.10103	9.1
135.08078	3.2
135.11702	5.6
137.09660	6.5
141.06966	1.8
142.07785	2.9
143.08525	1.9
145.06499	1.9
145.10118	8.0
147.04424	5.0
147.08032	8.5
147.11691	11.4
149.05925	1.4
149.09630	5.7
153.12697	6.3
155.08612	1.8
155.10678	4.6
157.10136	10.3
159.11717	2.4
161.09618	3.7
163.11180	11.4
165.12762	2.1
171.08002	1.5
171.10042	1.2
173.09625	2.9
173.10329	1.4
173.11760	13.5
175.11168	10.5
181.12224	4.9
184.07335	1.9
185.13249	1.4
187.11156	2.1
189.05383	1.3
189.11220	6.3
189.12737	1.9
191.10678	4.6
191.14325	1.7
193.12251	34.0
195.11621	1.4
199.13365	3.5
201.12619	1.2
205.12387	1.6
207.13788	1.3
209.11751	9.5
211.13284	8.8
217.14328	3.5
219.13847	5.5
223.13268	1.8
227.12758	19.7
229.14342	45.4
231.13824	4.7
233.15489	1.5
235.13237	2.7
247.13272	4.3
249.14816	6.9
259.13342	5.7
261.18246	1.8
267.15927	84.0
271.16913	1.3
273.14981	2.1
273.18555	3.4
283.15421	14.1
289.17944	2.9
293.17462	2.4
301.16492	8.2
309.16956	2.1
321.17169	1.6
333.16846	1.8
335.21945	1.2
347.22189	1.9
355.22784	2.7
365.20767	1.9
367.22586	4.1
373.23843	2.9
383.22006	8.4
385.23792	4.8
399.23846	13.5
401.23190	10.2
403.24683	4.0
409.25641	2.1
419.24188	2.9
421.25854	18.3
437.25403	1.8
457.25824	4.2
458.26648	12.0
459.27460	6.1
475.26959	18.8
476.27713	16.5
477.28082	4.3
493.27930	11.7
511.29166	4.9
518.32434	5.4
519.33942	1.9
591.35144	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	838.443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	5.9
65.03920	1.9
67.05508	35.1
68.59021	0.5
69.03425	3.0
69.06744	0.9
69.07069	11.9
69.17834	3.7
69.18257	1.9
71.01334	0.6
71.05006	3.8
73.02889	2.3
79.05498	24.3
81.02940	1.2
81.03421	33.8
81.07059	43.3
83.04982	9.7
83.08162	1.0
83.08621	16.4
85.02911	15.8
85.06535	2.8
87.04448	0.7
91.03971	3.4
91.04911	0.7
91.05484	20.7
93.07049	33.5
95.04976	15.8
95.08601	12.1
97.02888	5.6
97.06533	7.4
97.10138	2.4
99.04448	1.2
99.08099	2.7
105.07024	11.0
107.04951	3.8
107.07877	0.9
107.08596	17.8
109.06517	3.3
109.10152	2.9
111.04409	1.3
111.08076	8.9
111.11742	0.7
113.05973	1.7
115.05403	1.1
117.07022	4.8
119.08594	8.9
121.06495	2.3
121.09341	0.8
121.10148	14.3
123.08028	1.8
123.11694	1.9
125.09600	1.1
126.13667	0.5
127.03921	1.4
127.07608	0.7
129.07005	4.6
131.08588	10.8
133.06499	1.8
133.10136	7.7
135.08051	0.9
135.11688	4.2
139.11139	1.4
142.07709	1.1
145.04930	2.2
145.10104	1.6
147.08037	1.4
147.11705	9.9
149.09654	3.5
149.12062	0.9
149.13263	18.3
157.10130	8.2
159.11716	6.9
163.03941	0.7
163.06017	1.6
163.11263	0.6
165.12767	1.6
175.11201	7.9
177.12706	3.2
193.12244	22.4
193.31334	0.7
193.43097	0.6
194.12619	0.6
195.13820	5.2
210.53137	0.6
211.13297	22.9
211.15289	1.3
213.14914	0.8
249.14777	0.7
267.15921	21.3
269.17484	76.6
285.16971	19.0
295.67090	0.7
315.89072	0.5
407.32849	0.7
435.27713	1.5
438.73984	0.6
443.27887	0.6
451.69836	0.7
461.28989	48.0
462.29138	1.1
479.30054	100.0
480.30356	2.5
605.33350	0.7
623.34186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	1.8
61.02933	5.0
65.03932	1.1
67.05507	25.2
67.75593	0.4
69.03421	1.7
69.06725	0.7
69.07068	8.6
69.21599	4.7
69.41223	0.5
70.06486	0.4
71.01340	0.6
71.05001	3.5
72.29323	0.4
73.02914	2.1
77.03931	0.5
79.05494	20.1
81.03415	7.6
81.07056	33.4
83.01338	4.0
83.04980	7.9
83.08621	9.2
85.02905	7.6
85.06521	1.4
91.03971	2.7
91.05483	12.7
93.07044	29.1
95.04976	4.7
95.08601	9.2
97.02882	4.7
97.06525	6.7
97.10154	1.4
99.04463	1.5
99.08082	1.4
103.05487	0.6
105.07033	7.1
107.04953	4.4
107.08595	17.2
109.02820	0.9
109.06516	4.1
109.10154	2.3
111.04449	1.4
111.08108	2.8
115.03941	0.7
117.07023	5.9
119.08605	4.7
120.42239	0.4
121.06489	2.0
121.10146	10.7
123.08077	4.3
123.11707	0.5
125.05986	0.9
125.09653	1.0
127.03932	1.7
129.06967	1.4
129.50615	0.5
130.07837	0.7
131.08577	4.4
133.10121	3.2
135.08084	1.6
135.11691	8.0
137.09622	0.9
139.07535	0.6
139.11188	0.8
145.04970	1.3
145.10130	8.8
147.08022	1.6
147.11629	0.5
149.09586	0.9
149.13268	13.3
153.12735	1.5
159.11676	4.4
163.03928	0.6
163.06046	1.1
163.11177	12.5
173.09627	1.9
177.12729	1.9
180.63470	0.5
181.12218	1.5
191.10686	1.5
195.13815	3.3
209.11639	2.3
227.12721	1.7
229.14404	0.6
265.14389	1.8
267.15976	1.1
269.17477	34.1
283.15402	32.8
331.47845	0.5
459.27438	6.0
477.28488	100.0
478.28928	1.5
495.29675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.8
65.08026	0.3
66.47945	0.3
67.05510	4.7
69.03434	3.4
69.07088	0.5
71.01369	0.5
71.05007	0.5
71.08638	1.3
71.55922	0.4
73.02922	4.3
74.59048	0.3
75.99758	0.3
79.02728	0.3
81.03410	1.6
81.07071	1.6
83.08627	0.9
85.02905	5.9
85.03388	0.5
85.10179	1.1
87.04482	0.6
91.03958	4.2
91.05501	0.5
95.08608	1.4
97.02898	6.9
99.04467	1.0
101.02393	2.1
103.03928	0.5
109.02889	0.9
109.10162	4.9
111.08072	0.4
115.03983	0.7
116.59158	0.3
117.06956	0.3
119.08545	0.5
122.47236	0.4
127.03906	2.3
137.09698	0.6
145.04956	0.6
173.11748	1.5
185.04300	1.1
195.09984	0.7
201.04001	0.4
203.05284	0.7
229.14418	1.2
243.08354	1.9
251.12601	0.4
259.07919	0.4
308.43329	0.3
313.27469	0.9
347.09467	2.8
365.10605	1.2
405.13748	6.0
413.17841	11.7
497.30884	6.3
497.37854	0.4
575.23193	10.8
659.36145	4.9
669.42035	2.9
831.47089	100.0
832.47290	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	831.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19209	0.3
69.62807	0.2
70.95920	0.5
91.05464	0.4
102.96844	0.6
107.04937	0.3
119.04979	0.6
147.04398	1.4
148.04742	0.4
158.99593	0.3
162.98962	0.7
175.03937	0.7
180.99968	0.4
185.04233	0.5
189.05374	0.9
190.05830	0.3
196.56168	0.3
203.05322	2.0
207.06586	0.8
215.03061	0.5
225.07343	0.4
233.04225	3.1
247.05731	0.9
265.06784	2.3
300.51065	0.3
305.07022	0.4
314.07309	0.4
314.57886	0.4
395.09677	0.6
409.11209	1.6
417.60593	0.4
426.10855	0.4
426.61179	0.5
427.12128	100.0
428.12457	1.5
448.08829	0.3
507.10468	0.4
508.10342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53161	1.1
69.53569	0.4
85.02900	0.7
91.05461	0.9
95.04987	0.2
97.02870	0.4
98.97580	1.5
101.00862	0.2
116.98631	0.2
119.01934	0.5
119.04961	1.3
131.01944	0.4
135.04446	0.4
143.01900	1.0
145.01691	0.3
145.02733	0.3
147.04411	2.2
148.04752	0.3
155.01956	0.3
157.03494	0.5
158.99699	0.4
161.02974	0.8
161.05946	0.3
163.03952	1.4
164.04366	0.3
165.05501	0.3
175.03940	0.9
177.00757	0.4
177.02310	0.2
177.05533	0.3
181.03673	0.3
185.04256	0.6
189.05489	2.2
190.05885	0.4
193.04984	0.3
203.00264	0.3
203.05482	1.1
207.06560	1.6
208.06926	0.3
215.03183	0.5
219.01773	0.4
221.01074	0.3
221.05043	0.4
223.04582	0.4
223.08344	0.3
225.07617	0.6
233.04311	2.4
237.02866	0.3
245.04970	0.3
246.05347	0.3
247.05583	0.8
257.02927	0.7
263.06064	0.2
265.06897	2.5
273.04590	0.4
275.03873	0.3
283.01263	0.3
287.06317	0.3
289.05643	0.3
307.01361	0.3
307.06757	0.6
307.10214	0.3
307.53183	0.2
325.02386	0.9
395.08597	0.7
409.10837	1.4
418.10489	0.4
425.11273	0.3
427.12109	100.0
427.60919	0.5
428.12253	1.0
445.06961	1.1
445.12024	0.4
529.14233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56070	1.1
60.89955	1.2
61.02929	10.1
67.05505	3.6
69.03085	1.9
69.03436	27.0
69.07072	3.0
71.01348	1.3
71.04987	4.3
73.02917	3.6
79.05479	6.1
81.03435	8.3
81.07067	11.8
83.04999	4.0
83.88080	1.1
85.02911	100.0
85.80181	1.1
87.04462	2.2
89.03878	1.1
91.03960	3.4
91.05476	10.5
93.07048	14.2
95.04977	3.0
95.08636	10.6
97.02895	35.1
97.06535	2.8
99.04458	4.9
105.07025	19.6
107.04996	2.3
107.08602	16.8
109.02874	11.7
109.06519	3.8
109.10159	5.6
111.04452	2.8
111.08107	1.8
115.03940	8.0
117.07027	5.5
119.08582	21.8
120.38704	1.2
121.06505	13.2
121.10137	9.3
122.06086	1.4
123.08087	3.5
123.11707	1.7
127.03929	23.4
128.06209	3.2
128.51434	1.2
129.05502	2.1
129.07018	5.9
131.08569	18.2
133.10136	18.3
135.08081	5.3
135.11667	5.5
135.23892	1.3
137.06018	5.6
137.09608	1.6
141.06989	2.8
142.07777	5.0
143.08569	20.2
144.09349	2.9
145.04965	32.6
145.06233	1.8
145.06535	1.5
145.10129	21.8
147.08063	5.4
147.11682	11.2
149.05986	2.1
149.09615	3.8
149.13290	3.3
151.07533	2.0
153.07025	2.1
155.07297	2.1
155.08559	10.3
156.09354	5.0
157.10146	33.7
158.10939	1.6
159.08113	4.4
159.11702	28.4
161.09624	8.8
161.13240	6.3
163.03975	2.1
163.06018	10.2
163.11163	3.4
165.07001	1.8
167.08571	4.0
168.09343	5.2
169.10121	17.1
170.10909	1.4
171.08118	1.8
171.11697	27.7
173.09631	4.2
173.13274	19.0
175.11235	8.6
175.14880	1.4
177.05530	1.5
177.09145	3.7
177.12770	4.9
179.08568	1.7
181.10164	9.6
182.10915	3.0
183.11708	36.2
184.12349	1.9
185.09656	3.6
185.13261	21.3
187.11194	11.5
187.14807	7.9
189.05496	1.5
189.12749	16.7
191.14343	3.7
193.10185	1.8
193.12158	2.8
195.11748	8.8
196.12593	1.3
197.13283	19.8
199.11186	8.5
199.14787	8.5
201.12743	22.3
201.16353	2.1
203.10762	1.5
203.14316	6.2
205.12218	8.9
207.11783	3.6
207.13737	1.7
209.13261	7.4
211.11174	2.1
211.14865	4.7
213.12709	7.1
213.16212	1.7
215.14313	14.6
217.12305	2.4
217.15900	5.0
219.13809	5.3
220.12485	1.9
221.13277	4.0
221.15288	1.8
223.14868	4.2
225.12764	1.7
225.16379	3.3
227.14317	5.0
227.17981	1.7
229.15895	1.6
231.14021	2.1
233.13303	2.1
233.15369	3.1
234.13736	1.4
235.14928	2.3
237.12785	1.6
237.16609	2.6
239.14192	1.5
239.18057	1.6
241.15881	4.1
243.11569	1.5
243.17691	1.2
245.15482	1.6
247.14819	2.9
249.13187	1.3
249.16405	2.8
251.17958	3.5
253.15901	2.2
253.19586	2.4
261.16428	3.0
263.14368	1.5
265.15939	2.1
265.19540	1.8
267.17468	2.8
269.19147	1.8
273.16272	1.7
283.17227	1.5
287.05527	3.0
321.22162	1.7
323.23758	1.7
335.23557	1.6
346.15466	1.4
347.23676	2.3
359.23679	2.6
361.02249	1.6
361.25391	1.9
373.25168	2.9
377.24716	1.9
379.26404	1.7
385.25317	7.2
387.27005	1.9
388.15857	1.4
390.25598	1.8
391.26352	5.4
393.27808	2.0
397.25247	2.3
403.26318	28.6
405.27713	2.5
409.27222	4.6
415.26456	6.1
416.15524	1.7
418.16608	1.5
421.27435	31.1
433.27356	16.5
439.28488	31.9
440.29065	2.1
450.79871	1.2
451.28491	41.3
453.29971	4.7
457.29352	13.9
469.29562	54.0
480.18713	1.4
487.30634	33.8
505.31332	7.4
631.34534	2.4
640.25104	1.5
707.75037	1.3
761.29547	5.8
779.30121	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	828.474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.8
66.04692	0.4
67.05173	0.6
67.05505	7.3
69.03426	2.3
69.06731	0.7
69.07070	9.3
71.04979	0.7
71.08620	0.7
71.55121	0.5
71.55481	0.6
73.02901	1.2
79.05497	4.2
81.03413	1.4
81.07058	23.4
83.08622	6.4
85.02906	18.0
88.57465	0.4
91.03955	1.8
91.05483	3.6
93.06483	0.8
93.07044	12.0
95.01325	4.5
95.08608	39.8
96.08894	0.5
97.02894	5.9
97.06550	0.4
97.10165	2.8
99.00813	0.5
99.04432	0.6
103.03922	1.2
105.07026	8.2
107.08590	18.3
109.02867	1.2
109.06564	0.6
109.10157	18.9
111.11715	1.2
113.02375	0.7
113.07163	0.5
114.45039	0.5
117.07021	1.7
118.06518	0.5
119.08582	15.8
121.10137	17.9
123.08096	0.9
123.11709	12.2
127.03914	5.6
129.06995	1.4
131.03424	0.5
131.08583	6.8
133.10126	10.2
135.08069	0.5
135.11703	13.3
136.07585	1.0
137.13260	15.6
139.07535	0.5
139.23512	0.4
141.00739	1.0
141.01826	17.1
143.08539	4.3
145.04962	13.8
145.10130	8.9
146.06013	0.8
147.11691	8.2
149.13261	18.2
151.14835	3.8
153.09087	0.8
155.08534	0.7
156.09250	0.6
157.10136	4.2
159.02914	3.1
159.11691	6.0
161.13252	5.9
163.03940	0.6
163.06030	5.4
163.07440	0.9
163.14851	4.2
165.16386	0.5
167.10736	0.5
169.10110	1.4
171.11700	3.7
173.09834	0.5
173.13261	12.7
175.07507	0.5
175.14828	6.1
177.03979	1.2
177.09119	1.8
177.16391	14.9
179.14319	0.5
179.17957	1.5
180.52904	0.4
183.11757	1.5
185.13257	9.9
187.14828	4.9
189.05533	1.9
189.09129	0.5
189.16379	7.6
191.14307	1.2
191.17944	20.5
192.18376	0.5
193.12175	0.5
193.19533	0.8
197.13210	1.5
199.14827	6.4
201.16388	17.8
201.18282	1.0
203.10663	0.6
203.14352	5.3
203.17947	11.5
205.12195	0.5
205.15860	1.2
205.19492	7.2
207.13828	1.0
207.17599	0.8
207.21133	2.7
211.14847	1.4
213.16383	18.4
215.17957	4.1
217.12306	2.2
217.15915	1.6
217.19536	2.3
218.66568	0.4
219.13834	1.1
219.17409	1.6
219.21074	1.3
221.15396	0.5
225.16396	1.8
227.17992	3.9
229.15999	0.8
229.19569	1.6
231.13879	2.3
231.17459	2.1
233.15407	1.3
239.17953	3.0
241.19508	9.8
243.13918	0.9
243.21159	1.5
245.15401	4.1
247.16917	8.4
248.27901	0.4
249.14902	5.2
249.17326	0.6
249.18256	0.4
251.16512	0.8
253.19519	3.3
255.21053	2.6
257.15323	2.5
259.16937	10.8
259.19910	0.6
261.18588	1.0
263.16431	1.7
267.21075	1.7
269.22690	0.5
271.16977	2.3
271.20624	0.7
273.18512	2.7
281.22595	0.6
285.18527	6.1
287.20001	7.9
295.24310	1.2
299.20102	5.7
301.21625	1.6
303.07239	0.6
307.24203	0.7
309.25406	0.6
313.21747	2.3
319.22754	0.6
321.08154	2.3
327.23239	0.7
335.27423	0.8
339.23474	0.5
353.24576	1.0
356.11835	0.9
367.26385	0.9
381.27963	0.6
391.33615	14.0
393.35358	3.0
395.29358	1.1
409.34695	4.0
411.35971	0.5
415.92313	0.5
419.33130	1.6
437.34161	100.0
438.34351	2.3
455.35196	29.0
456.35474	0.9
516.03546	0.4
669.99286	0.5
828.37201	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.7
67.05504	13.7
69.03413	2.6
69.06783	0.8
69.07075	9.5
71.01340	1.4
71.04994	23.3
73.02908	3.2
75.04473	2.3
79.05496	14.4
81.03417	1.5
81.07060	32.5
83.04976	11.4
83.08612	6.1
85.02906	39.4
85.06535	1.5
85.11854	0.9
91.05476	16.1
93.07045	26.5
95.01334	9.6
95.04987	5.5
95.08611	40.7
97.02886	2.5
97.06519	3.1
97.10164	2.4
99.08107	7.6
103.03953	1.2
103.05447	1.3
105.07033	38.4
107.04949	1.0
107.08595	46.0
109.06515	2.7
109.10154	22.0
109.10838	0.5
111.04448	8.5
111.08109	1.2
113.02360	2.1
117.07027	4.8
119.08588	59.1
121.06472	1.7
121.10142	25.7
123.08061	3.2
123.11694	5.3
125.05984	1.7
125.09625	2.4
127.07542	1.5
128.06195	1.7
129.04617	1.2
129.05502	10.2
129.06981	3.8
131.03398	1.0
131.08565	28.6
133.10132	31.4
135.11696	12.8
136.06049	0.9
137.05948	1.0
137.09625	1.4
137.13275	1.8
139.07491	1.1
141.01834	21.0
141.06946	1.3
142.07759	3.4
143.08560	16.5
143.48541	1.0
144.09291	3.3
145.10129	45.0
147.06541	4.6
147.10516	1.6
147.11693	32.0
149.09703	1.2
149.13258	29.4
151.07552	1.4
153.05586	0.8
153.09088	1.7
155.08563	5.5
156.09370	2.0
157.10132	24.4
158.10872	2.4
159.02887	3.9
159.11697	32.8
161.09692	1.9
161.11995	1.5
161.13260	24.3
163.07506	3.3
163.11148	1.7
163.14830	11.3
165.16441	1.0
167.08569	1.9
169.10120	9.0
170.10896	2.5
171.11674	14.5
172.12503	1.9
173.09598	1.3
173.13272	32.2
175.13310	1.4
175.14838	23.9
177.09062	1.3
177.12756	1.5
177.16406	4.9
179.10649	1.7
179.14273	2.0
181.10107	2.3
181.12263	2.0
182.10931	2.0
183.11690	10.2
184.12442	1.6
185.13268	23.0
186.13789	0.9
187.11200	1.6
187.14828	49.0
189.12735	1.9
189.16371	15.0
191.14268	2.4
191.17998	1.2
193.15947	2.1
195.11664	4.8
195.13490	0.8
196.12419	1.3
197.13269	11.2
199.12975	1.5
199.14828	28.8
201.16386	41.9
203.14325	15.0
203.17957	6.7
205.12219	1.2
205.15848	8.7
207.11722	1.9
207.17403	1.9
209.13219	5.9
211.14830	10.9
213.16373	21.9
215.14328	3.7
215.17967	6.2
217.15907	8.4
219.13794	2.6
219.17404	5.8
221.13271	2.8
221.15375	6.5
223.14777	5.5
223.16824	1.7
225.16400	8.3
227.17943	7.7
229.15849	3.1
229.19434	2.7
231.13789	1.7
231.17456	4.9
233.15366	5.0
233.19011	1.0
235.14853	2.6
237.16418	7.3
237.18440	1.5
239.17947	6.8
241.19521	4.7
243.13785	1.0
243.17447	2.1
245.15411	7.6
245.18953	2.0
247.16954	6.6
249.14677	9.3
249.18652	1.2
251.17854	4.0
253.19543	6.6
255.21075	1.3
259.16916	5.7
259.20572	1.2
265.19641	4.4
267.21185	2.6
269.06589	1.1
271.16931	1.1
273.18591	1.4
275.17865	1.2
277.19452	4.1
279.21075	5.8
280.22058	1.1
281.22708	5.5
283.16962	1.6
285.18536	2.1
291.20947	2.2
293.22821	1.4
297.18585	1.2
297.22034	1.6
299.23663	1.8
305.08673	4.6
305.22659	2.1
307.24277	2.3
309.25928	1.3
317.22647	1.9
319.24466	1.3
321.25659	1.4
325.21588	3.0
325.25104	0.9
327.23343	1.7
331.24057	2.4
333.25757	2.5
339.23151	1.6
345.24976	1.0
347.27451	1.0
349.28876	4.9
351.26721	1.7
353.24646	2.7
355.26266	1.7
363.17682	1.2
367.26196	2.0
367.29947	6.0
375.30493	1.9
377.31866	1.3
387.30536	13.2
389.32004	1.5
393.31754	1.7
395.29407	22.0
403.29907	1.1
405.31543	56.1
406.31335	1.2
407.33246	4.2
413.30490	13.8
421.31055	7.8
423.32568	32.5
425.33994	3.5
433.31049	54.5
434.31348	1.5
439.32312	4.3
441.33566	7.0
451.32083	100.0
452.32156	2.4
457.33200	1.4
469.33163	54.2
470.33160	1.6
487.34152	17.0
505.35095	5.9
510.96030	1.1
545.31738	1.0
563.33704	6.1
581.34875	7.8
591.32874	2.0
599.35596	1.8
609.34338	6.1
627.35272	4.9
645.36072	1.7
651.41168	1.0
663.37170	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	2.5
61.02926	8.3
61.03172	0.2
65.03939	0.9
67.05503	51.0
69.03419	1.3
69.07066	4.6
69.95358	1.0
71.04995	2.0
71.08630	14.2
73.02915	2.7
77.84731	0.3
79.05487	1.6
81.03420	1.0
81.07053	12.3
83.04979	0.4
83.08619	9.5
83.09121	0.5
85.02902	11.0
85.06541	1.8
85.10182	8.5
87.04447	0.5
89.06042	0.9
91.03952	7.4
91.05479	3.2
93.07048	2.0
95.08604	12.7
96.04482	0.5
97.02886	4.8
97.06549	0.3
97.10170	3.0
99.04444	0.9
99.08083	0.4
99.11749	0.4
101.02356	0.4
102.14941	0.3
103.03975	0.4
103.07597	0.6
107.08580	1.3
109.02888	0.7
109.10153	58.2
111.08076	1.4
111.11691	0.6
113.13226	0.3
115.03917	0.4
117.07039	0.4
119.08573	4.2
119.09345	0.3
123.11679	2.3
124.99985	0.3
125.09643	0.4
126.91537	0.3
127.03915	2.9
137.09604	2.6
137.13255	0.6
145.04959	3.2
151.14827	0.4
155.10666	5.3
163.06024	4.3
165.16365	0.5
173.11731	17.0
184.07332	1.0
229.14340	100.0
230.14716	0.7
237.49248	0.3
239.23779	1.4
257.24677	1.5
298.27499	0.4
313.27353	74.7
314.27859	1.1
373.18457	0.3
387.14334	0.3
467.37323	67.3
468.37613	1.6
611.40936	0.3
697.75073	0.3
784.91064	0.3
786.69574	0.4
826.48260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	17.4
59.04998	6.2
61.02919	4.4
67.05508	100.0
68.05850	2.0
69.03423	5.4
69.07062	11.8
71.01350	6.6
71.04999	3.9
71.56408	2.4
73.02900	4.6
77.59412	1.8
79.05498	32.1
81.03416	15.2
81.07056	36.1
83.04989	13.1
83.08627	18.1
84.05298	2.1
85.02902	23.7
85.06528	2.9
87.04468	8.8
90.93856	2.0
91.05477	18.2
93.07050	17.4
95.04967	5.9
95.08617	21.1
97.02910	7.2
97.06535	5.1
97.10181	27.2
100.35764	2.2
105.07040	8.1
107.04974	5.6
107.08584	16.6
109.06554	2.4
109.10164	87.5
109.91944	2.0
111.04443	3.1
111.08092	4.4
117.07010	3.0
119.08584	15.0
121.06441	2.0
121.10155	6.2
122.07339	1.9
123.08148	2.9
125.09638	27.9
129.07057	2.8
131.08585	4.3
133.10170	3.2
135.11696	4.9
137.09647	4.7
143.10670	4.6
145.10118	9.4
149.09685	3.6
153.12761	4.0
155.10643	5.8
163.11092	10.2
173.09538	2.6
173.11726	24.7
176.36351	2.3
181.12213	2.6
184.07352	3.4
193.12384	3.3
194.42371	2.1
199.13332	12.7
208.83044	2.2
209.11775	7.1
225.57576	2.3
227.12749	4.7
229.12106	4.1
229.14371	79.1
301.16449	12.0
373.18564	22.6
383.24283	8.7
455.26065	3.3
527.28387	25.3
545.29456	3.2
579.32123	2.3
625.35645	8.2
643.36462	5.4
673.96405	2.3
681.61768	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.2
57.07065	4.1
61.02896	1.9
66.15590	1.1
67.05505	31.0
68.99789	17.9
69.03432	13.0
69.07074	22.6
69.45744	2.8
69.46152	6.3
71.01358	41.0
71.04984	1.6
73.02915	5.9
77.03928	1.4
79.05496	25.3
81.03419	7.3
81.07060	57.8
83.01347	2.7
83.04961	2.0
83.08238	1.2
83.08632	15.1
85.02913	47.4
85.06528	1.4
87.00827	2.5
91.05481	28.3
93.07043	51.4
95.01328	15.4
95.04978	4.7
95.08609	83.0
97.02287	2.2
97.02895	26.4
97.06536	3.0
97.10162	4.8
98.20718	2.3
99.08096	2.4
101.02392	3.3
102.14425	1.3
103.03950	6.9
105.07036	61.0
107.08603	67.2
109.06512	4.2
109.10159	63.5
109.10709	0.8
111.00815	13.2
111.08083	12.3
111.11700	1.3
113.02365	11.3
115.03894	2.0
115.05412	1.8
117.07002	9.1
119.08586	100.0
121.06532	1.3
121.10147	43.6
123.00787	1.7
123.08074	2.7
123.11706	13.7
125.09634	2.0
128.06230	2.4
129.01845	76.7
129.06985	7.4
130.07750	1.5
131.03403	10.0
131.08574	37.5
133.06532	1.8
133.10135	57.0
135.08046	1.2
135.11693	34.1
137.06010	1.4
137.09566	2.1
137.13228	3.2
139.00273	11.9
139.11235	1.9
141.01831	55.9
141.06955	2.4
142.07747	2.7
143.08568	18.2
144.09358	2.9
145.10127	47.6
147.02893	26.1
147.08049	2.1
147.10516	2.2
147.11690	43.4
149.13258	36.2
151.07527	1.9
151.11105	2.0
152.38062	1.2
153.07025	1.3
153.09111	6.8
155.08586	7.3
156.09360	4.1
157.01332	13.6
157.10127	22.8
158.10866	2.6
159.02901	17.4
159.11697	37.0
161.09589	2.8
161.13254	37.5
163.07523	2.8
163.11191	3.3
163.14827	21.0
165.12808	1.8
167.10754	1.4
169.10139	9.0
170.82649	1.3
171.11691	16.8
173.09592	1.8
173.13264	31.4
175.02394	5.6
175.07413	1.5
175.11232	2.2
175.14839	33.6
177.03934	22.0
177.09120	2.9
177.12839	2.1
177.16385	20.3
179.14330	2.1
181.10194	2.5
182.10864	1.5
183.11694	9.9
184.12508	1.9
185.13257	40.0
187.14833	39.5
189.09052	1.4
189.12704	1.8
189.16393	40.4
191.14311	5.5
191.17940	12.8
193.03407	3.3
193.12209	1.9
193.15924	3.7
195.02856	2.2
195.11702	2.7
197.13318	5.9
199.02313	1.8
199.14828	28.2
201.12729	2.7
201.16385	58.9
203.14352	18.6
203.17953	43.7
205.12161	1.8
205.15891	31.9
205.19487	5.2
207.13933	1.8
207.17458	11.4
209.13231	3.8
211.14833	7.9
213.04053	1.4
213.12801	1.5
213.16380	22.2
215.14297	2.8
215.17911	16.8
217.15894	8.4
217.19397	6.4
219.13956	1.5
219.17438	8.3
221.15379	3.5
221.19000	4.6
223.14803	5.1
225.16389	8.9
227.01843	5.1
227.17934	8.9
229.15857	2.6
229.19511	4.1
231.13794	4.3
231.17342	5.8
233.15367	4.7
233.18985	4.7
235.16949	3.6
237.16391	4.0
239.17935	10.1
241.03366	3.1
241.19516	11.8
243.17442	1.7
243.21225	2.9
245.15392	10.9
247.16942	14.6
249.14825	16.3
249.18533	3.8
251.18121	2.5
253.19565	7.2
255.21095	2.9
259.04398	3.9
259.16864	6.3
261.14896	2.6
261.18488	2.3
263.16232	2.7
265.19437	2.7
267.15875	4.6
267.20929	6.5
268.16165	1.6
269.03033	2.2
271.16940	2.4
273.18500	3.4
279.21063	5.2
281.22629	3.8
285.18518	2.4
287.03961	15.6
287.20038	3.5
293.22440	2.4
295.24036	2.2
297.18466	1.6
299.20084	4.1
301.21530	1.7
305.01630	2.2
305.05035	28.0
305.22751	1.5
307.24182	2.4
313.21600	1.9
315.03424	7.0
319.24310	2.1
325.21536	4.5
327.23245	2.9
333.04495	14.8
333.25677	2.0
339.23102	1.7
341.24704	2.9
343.22620	1.9
349.28845	4.8
351.05576	32.0
351.26675	1.7
353.24774	1.7
367.29990	3.0
371.25797	2.1
377.32166	1.5
389.32059	18.8
391.33493	4.0
393.27570	1.6
395.29593	11.4
397.35300	1.3
405.31479	2.4
407.33121	34.5
408.33768	1.4
409.34680	2.3
413.30402	5.0
417.31522	1.7
423.32669	9.0
425.34174	10.7
433.31003	1.8
435.32562	58.4
441.33603	5.1
451.31790	1.4
453.33679	53.6
454.33972	2.2
462.29199	2.0
463.26691	1.7
471.34735	6.5
476.27301	1.6
571.66467	1.3
574.34735	2.2
739.36816	1.8
757.37604	2.8
803.37799	5.0
821.39600	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	4.5
57.07064	3.6
61.02934	2.0
65.03935	3.4
67.05508	35.5
68.99795	15.7
69.03431	11.3
69.07069	23.3
69.86790	7.3
71.01355	38.0
71.05013	1.9
73.02927	6.6
77.03917	1.3
79.05499	24.0
81.03432	6.9
81.07057	62.5
83.04980	1.2
83.08624	18.4
84.04516	1.6
85.02910	38.8
87.00818	3.9
91.05482	30.7
93.07050	51.9
95.01337	32.9
95.04974	5.1
95.08611	88.1
97.02902	18.6
97.06519	3.2
97.10154	4.7
99.00801	4.4
99.08117	1.7
101.02377	8.7
103.03947	7.4
103.05495	1.9
105.06306	2.3
105.07031	62.4
107.08602	69.0
109.06507	3.6
109.10160	68.1
111.00794	10.7
111.08087	11.0
113.02358	14.8
115.00321	1.7
115.05449	2.3
117.06991	8.7
119.08585	98.3
121.10147	43.5
123.00831	3.3
123.08075	2.0
123.11723	17.9
125.09607	1.8
127.03926	1.7
128.06181	2.5
129.01846	70.7
129.06982	10.0
131.03418	6.8
131.08566	43.7
133.09122	2.5
133.10132	48.1
135.08096	2.1
135.11697	31.0
137.09550	1.9
137.13235	2.8
139.00269	15.3
139.07587	1.6
139.11174	2.1
141.01828	100.0
141.06932	2.0
142.07787	4.1
143.08560	23.1
145.06433	2.1
145.10123	52.3
146.10797	1.5
147.02895	21.6
147.08118	2.6
147.11697	47.6
149.05977	2.1
149.13261	35.7
151.07588	2.2
151.11159	2.2
152.48758	1.6
153.09081	6.5
155.08568	9.3
156.09343	2.7
157.01349	15.7
157.08896	1.1
157.10117	25.0
158.10872	1.9
159.02904	20.6
159.11691	34.6
161.09616	2.0
161.13258	38.6
163.07500	4.4
163.11156	2.0
163.14815	20.1
165.12740	2.8
167.10602	1.9
167.14372	1.6
168.09425	2.2
169.10120	9.2
171.11703	16.9
173.13255	29.1
175.02414	8.3
175.07550	1.8
175.11179	1.7
175.14824	37.8
177.03944	21.6
177.09097	3.1
177.12767	2.0
177.16397	16.5
179.14395	2.0
181.10069	3.2
182.10872	1.9
183.11681	9.1
185.13260	39.3
187.14815	37.2
189.09134	1.4
189.16388	42.0
191.10640	1.5
191.14317	5.2
191.17957	10.8
193.03458	2.8
193.15910	3.2
195.02895	2.9
195.11673	4.7
197.13251	7.9
199.14818	26.2
201.09061	1.8
201.12715	2.5
201.16388	58.9
202.16681	1.4
203.14310	16.6
203.17973	38.1
205.15868	23.4
205.19614	4.3
207.13873	1.7
207.17444	10.0
209.13206	3.1
211.14830	5.9
213.16371	19.6
215.14346	3.8
215.17957	12.1
217.12413	1.8
217.15901	6.5
217.19478	8.4
219.13748	1.9
219.17433	6.5
221.13364	1.9
221.15396	2.1
221.18968	4.4
223.14836	4.2
225.16386	11.0
227.01860	6.2
227.17979	9.4
229.15916	1.9
229.19537	4.2
231.13828	2.6
231.17366	6.5
233.15327	4.3
233.18950	2.2
235.16951	1.9
237.16571	2.9
239.18004	8.0
241.03416	2.7
241.19554	8.8
245.15363	11.8
247.16969	14.1
249.14804	20.4
249.18578	2.2
251.16272	2.5
253.19495	6.8
255.21060	3.6
257.19110	2.2
259.04495	2.4
259.16949	6.0
261.14822	4.6
261.18881	1.7
263.16235	3.3
265.19672	2.8
267.21100	5.6
269.02985	4.3
269.22470	1.8
271.04428	1.9
271.16901	2.4
273.18561	2.2
279.21094	5.6
281.22748	4.6
283.16904	2.3
285.18466	2.6
287.03998	19.5
287.20084	3.8
293.22607	2.4
295.24200	2.3
297.18567	2.4
299.20016	5.1
301.21350	1.7
305.04968	23.5
307.24008	1.9
315.03549	12.4
319.24231	1.8
325.21680	2.6
327.23242	5.6
333.04495	28.0
333.25656	2.3
339.23196	1.6
341.24841	3.1
343.22672	2.3
349.28931	5.1
351.05591	55.6
353.24646	3.4
367.29907	3.7
371.25571	2.7
389.32031	17.4
391.33542	4.3
395.29321	6.7
405.31342	1.7
407.33139	31.3
409.34659	2.3
413.30502	5.6
417.31348	2.3
423.32669	6.5
425.34119	7.4
428.79547	1.6
435.32590	56.9
441.33749	5.5
453.33658	48.9
461.28711	1.7
471.34726	7.6
562.82501	1.6
739.35541	1.7
757.37042	2.1
803.38184	2.8
821.39197	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	815.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	1.0
68.98275	1.1
69.03407	2.3
69.24535	3.0
69.24958	4.2
77.00899	1.8
79.05492	1.7
81.03398	1.9
82.99862	1.4
85.02919	4.7
86.99314	1.4
91.05471	7.7
92.05807	1.0
93.03410	0.7
94.99852	1.6
95.04942	2.1
97.02900	3.9
98.20777	1.3
98.97542	0.9
101.00880	11.9
103.05465	1.2
105.00358	1.3
107.04949	1.0
109.02882	1.8
113.00877	4.5
115.02396	2.5
119.01059	1.0
119.01925	21.4
119.04942	12.3
120.05254	1.2
121.06538	0.8
123.04468	0.8
127.02427	2.9
127.03917	1.8
129.00363	0.9
129.03343	2.2
131.01913	18.0
133.03470	4.6
133.06485	1.1
135.04456	1.0
137.02954	2.1
139.02370	1.9
139.03877	0.8
143.01895	15.1
143.04916	0.8
145.01715	1.1
145.03511	15.8
145.04790	1.1
145.04994	0.9
147.01395	2.1
147.04411	17.6
148.04735	1.7
149.02882	1.9
149.04506	1.9
153.03984	6.1
155.01904	19.9
156.02675	3.4
157.03487	9.6
161.02946	14.8
161.04466	11.1
161.05922	2.9
162.03134	0.9
163.02660	1.2
163.03835	5.8
164.04337	1.1
165.04013	1.3
165.05482	1.8
167.01895	2.1
169.03490	1.4
171.05019	4.9
173.02971	25.0
175.03879	7.1
176.04262	1.4
177.03986	7.1
177.05499	2.0
179.04063	1.1
179.05569	9.3
179.06984	1.9
181.03462	10.2
183.05040	3.0
185.02928	8.4
185.04282	1.1
185.06619	0.8
187.02461	1.9
189.03932	2.6
189.05466	18.7
190.05847	2.3
191.05557	2.2
193.03418	1.4
193.04953	2.2
195.05043	36.8
196.05151	1.3
197.06619	6.1
198.98503	0.8
199.04482	3.6
201.03920	1.1
203.03917	21.6
203.05447	3.0
204.04614	0.9
205.03452	13.2
207.04997	16.3
207.06584	8.8
208.06912	2.3
209.06589	8.7
213.06084	3.8
215.05508	1.0
218.06561	1.1
219.05051	11.1
221.02928	2.7
221.05034	33.2
221.06702	9.0
223.04527	23.0
225.07771	6.5
229.03400	1.6
231.03043	2.0
231.05063	3.3
233.02827	4.2
233.06534	6.0
235.04446	1.4
235.08218	1.9
237.02516	1.5
237.06081	7.2
239.03908	1.9
239.07643	3.9
239.20644	0.8
241.05588	5.4
243.04991	1.1
245.06776	1.3
247.04567	8.6
249.02020	1.2
249.03722	3.6
249.05698	4.0
251.03960	1.3
251.07611	1.2
255.03291	1.7
257.02859	4.2
257.06827	1.0
259.04465	2.9
261.06097	4.7
263.03839	1.5
263.07602	1.0
265.05499	9.1
267.03445	2.7
267.07184	1.2
271.04422	1.4
273.04276	1.7
273.06506	1.1
275.03915	2.1
277.05533	2.2
279.07141	39.2
280.07336	1.2
283.06757	1.8
287.06107	1.1
289.05542	5.6
291.03372	1.5
293.05093	1.1
295.06659	1.2
297.08203	50.6
298.08539	1.5
301.05536	5.3
305.05054	1.1
305.08575	4.0
307.06589	4.3
309.04510	8.3
319.06543	2.4
320.09705	1.2
321.04715	1.1
321.08252	3.0
323.06183	15.5
323.09686	3.5
325.07544	1.6
331.06735	2.9
341.07169	4.4
347.05951	1.2
349.07666	32.4
351.05585	5.1
363.05820	1.0
365.07074	2.9
367.08679	12.7
368.08633	1.0
375.05545	1.6
377.07352	0.9
383.08218	1.2
390.10660	1.0
393.06638	10.8
395.07941	1.0
409.10205	2.2
411.08582	100.0
412.08472	2.9
427.06592	1.9
427.12057	32.7
429.08804	83.5
430.09000	2.8
443.10492	1.0
445.11774	1.5
452.10538	4.9
471.09845	9.1
475.13190	0.9
501.10947	1.6
513.10809	7.0
531.11475	2.4
585.10809	3.8
591.15485	3.6
609.16718	5.0
617.13550	3.2
635.14624	4.2
653.15668	3.7
797.18408	2.2
815.21021	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	815.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.9
65.03923	2.2
65.68428	1.2
66.91542	1.0
67.05510	1.4
67.17223	1.0
69.03422	5.0
70.99856	1.9
71.30849	2.1
77.00887	1.2
79.05481	1.6
81.03416	3.3
82.99857	1.7
83.64421	1.1
85.02913	11.0
86.99325	1.8
91.04971	1.6
91.05482	15.6
93.03384	1.2
94.99862	1.8
95.04964	3.7
97.02906	5.8
98.97565	3.1
101.00887	15.2
103.02431	1.4
103.05478	1.9
105.00355	2.6
105.03394	1.8
107.04983	1.6
109.02904	2.4
113.00854	5.3
115.02434	3.2
116.98621	1.2
117.03368	1.2
118.04079	1.0
119.01933	24.4
119.04942	19.7
120.05276	1.7
121.01665	1.5
121.06527	1.7
123.04405	1.7
127.02425	4.7
127.03919	3.6
129.03345	3.0
131.01920	21.6
131.04958	2.1
133.03513	6.2
133.06499	4.1
135.01337	1.1
135.04411	2.7
137.03014	2.0
137.05971	1.4
139.02383	2.9
139.03876	1.2
143.01907	21.4
144.02011	1.7
145.01683	2.5
145.03444	19.5
145.04947	4.0
147.01389	4.0
147.03244	2.0
147.04405	28.8
148.04726	4.4
149.02950	2.4
149.04451	2.0
152.05727	1.5
153.03984	7.7
155.01898	25.4
156.02641	4.1
157.03503	12.6
161.01721	1.7
161.02965	19.7
161.04482	12.7
161.05986	4.4
162.03151	1.3
162.06322	1.3
163.02641	1.7
163.03873	22.3
163.05975	1.7
164.04228	2.5
165.04044	2.1
165.05490	3.7
166.05807	1.1
167.01944	4.3
167.05576	2.2
171.05017	7.0
173.02982	29.6
175.03856	13.1
176.04346	2.5
177.02591	1.7
177.03986	8.0
177.05496	4.4
179.05533	11.3
179.07036	3.8
181.03485	12.5
183.05032	2.8
185.02951	13.9
187.02460	2.6
189.03981	3.3
189.05475	36.0
190.05818	4.1
191.05569	4.1
193.03410	2.1
193.04988	4.8
195.05046	40.1
197.01178	1.3
197.02887	1.8
197.06622	7.4
199.04559	2.1
201.04065	1.6
203.02432	0.9
203.03992	23.4
203.05612	3.6
205.03491	19.8
205.06853	1.2
207.05005	21.7
207.06578	19.2
208.07013	5.2
209.06621	11.9
211.02611	1.2
211.04376	1.7
211.06158	1.4
213.06131	3.7
218.06557	1.2
219.01744	2.0
219.05063	11.6
221.03012	2.8
221.05048	49.6
221.06703	9.6
223.04547	28.4
225.07693	12.6
226.07959	2.2
231.05022	4.6
233.03098	7.7
233.06572	8.3
235.08162	1.5
237.06168	10.5
239.03938	3.0
239.07681	3.3
241.05577	7.7
247.04576	12.0
249.02440	2.9
249.06065	4.4
251.04034	3.3
251.07677	1.2
255.05548	1.2
257.02866	5.2
257.06912	1.3
259.04498	3.2
261.06088	4.4
263.04022	1.4
263.07617	1.6
265.05597	11.5
267.03467	4.1
267.07300	1.2
273.04541	2.0
275.04056	3.1
275.07452	1.6
277.05579	2.3
279.07144	51.4
281.05338	1.3
283.06747	2.5
287.06326	1.9
289.05524	5.6
291.03568	2.8
291.07062	2.2
295.06766	3.5
297.08218	66.6
298.08334	2.4
301.05539	5.8
305.05225	1.7
305.08588	4.4
307.06659	7.4
309.04562	12.6
309.07922	2.2
317.05215	2.0
319.06659	2.3
320.09714	1.9
321.04636	1.4
321.08289	3.4
323.06079	20.8
323.09714	5.1
325.07596	2.0
331.06619	3.3
341.07242	7.8
349.07684	41.8
351.05490	6.6
365.07117	3.7
367.08722	13.0
375.05740	1.4
383.08365	1.7
393.06689	16.2
395.08279	2.1
409.09494	3.5
410.11713	1.5
410.61926	5.2
411.07672	61.1
412.07880	3.0
415.10315	1.8
427.10800	5.5
427.60648	2.0
428.10455	1.2
428.33688	1.3
429.08807	100.0
430.08957	2.4
431.09079	1.3
445.12048	2.3
452.10217	4.5
471.09842	12.1
487.13068	1.5
489.12637	2.0
501.11078	1.7
513.10925	9.3
531.11896	4.5
585.11224	5.0
591.15033	4.9
609.16821	6.0
617.13062	4.2
635.14313	4.4
653.15289	5.0
797.20099	1.9
815.20886	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	813.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
59.05008	0.6
61.02927	4.9
61.08522	0.5
63.16326	0.5
65.06501	0.4
67.05508	6.3
69.03431	4.9
69.07072	1.3
71.01369	0.6
71.05008	1.8
71.08640	0.5
73.02921	3.8
79.05498	4.6
81.03418	4.9
81.07069	4.6
83.05000	1.0
83.08636	2.2
85.02917	5.3
85.42140	0.5
87.04482	0.5
91.03959	3.6
91.05486	4.5
93.07045	4.2
95.04987	2.1
95.08624	3.4
97.02895	5.0
97.06592	0.8
99.04462	1.1
99.08102	0.5
101.02402	2.0
103.03976	0.6
105.07041	2.8
107.08630	2.2
109.02906	0.6
109.06534	0.6
109.10207	1.5
111.08111	0.9
117.07047	0.7
119.08629	2.2
121.06586	0.7
121.10149	2.4
123.08077	0.8
125.09658	0.9
127.03977	1.3
129.05568	0.6
129.07072	0.9
131.08597	2.3
133.10199	2.0
135.11748	1.1
145.05011	0.6
145.10158	0.7
147.11728	1.4
149.09731	1.8
149.13287	0.6
152.07332	0.5
157.10176	1.6
163.11293	1.1
165.12820	0.9
175.11288	1.2
185.04318	1.5
193.12326	1.9
201.03838	0.6
203.05290	0.7
243.08418	3.4
267.15985	0.6
283.15228	3.5
301.09204	1.5
302.09427	0.8
335.21851	2.7
339.18033	1.4
391.24487	0.7
439.19601	1.4
441.20132	0.5
453.21219	0.9
469.20407	1.2
483.21643	0.6
501.23120	20.6
501.30429	1.0
553.29907	8.7
637.32507	0.8
641.31799	1.5
643.32031	0.6
699.34772	0.7
714.88452	0.6
723.38794	4.0
727.34155	0.8
813.46075	100.0
814.46381	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	812.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.2
57.07058	3.8
59.04975	1.3
61.02922	1.1
67.05507	10.4
69.03421	1.2
69.07067	13.7
69.40190	6.7
70.06593	37.2
71.01354	1.6
71.04610	2.0
71.04993	35.1
71.08607	1.5
73.02911	2.3
75.04471	2.3
79.05490	6.7
81.03418	1.3
81.06596	1.7
81.07056	28.1
83.04988	9.5
83.08627	7.5
85.02908	52.4
87.04447	1.4
91.05479	7.0
93.07047	11.8
95.01336	3.2
95.04964	1.4
95.08607	46.3
97.02876	4.3
97.10151	4.9
101.12218	1.1
105.07034	11.0
107.08591	23.7
109.02901	2.0
109.06518	1.6
109.10159	24.2
109.10901	0.8
111.04452	10.1
111.11694	1.5
117.05553	1.1
117.06982	1.9
118.06525	2.7
119.08579	18.8
121.10149	20.7
123.04360	1.0
123.11709	14.8
127.03905	1.3
129.05481	21.9
129.06946	2.0
131.08574	8.7
133.10133	13.7
135.11687	14.8
136.07605	2.5
137.13263	15.6
141.01819	12.9
142.07761	1.3
143.08533	4.8
145.10112	9.5
146.06001	3.8
147.06516	11.6
147.11703	8.2
149.13255	22.8
151.14790	3.2
153.09050	2.1
157.10162	5.1
159.02881	4.8
159.11705	6.8
161.13283	10.4
163.05974	1.3
163.14827	6.5
164.09164	5.4
169.10141	1.2
171.06587	1.5
171.11684	6.0
173.13255	12.0
175.14815	7.6
177.09106	2.2
177.16377	14.2
179.14323	1.2
183.11720	2.5
184.13327	5.3
185.13239	14.2
187.14784	7.5
189.09058	1.1
189.16376	9.7
191.17947	27.5
197.13232	2.5
199.14856	8.7
201.03836	1.2
201.16391	19.3
203.14278	4.8
203.17940	12.4
205.15817	1.6
205.19495	9.2
207.21106	2.3
209.12936	1.7
211.14735	1.2
212.12817	4.4
213.03871	1.4
213.16373	19.4
215.17981	3.1
217.12276	2.5
217.15863	2.3
217.19501	3.6
220.90561	1.0
225.16505	1.9
225.18860	1.2
227.17921	4.4
229.19514	1.9
231.08592	1.9
231.13736	2.8
231.17476	3.4
231.21236	1.2
233.15228	1.8
239.17932	3.0
241.19473	10.0
243.20975	2.4
245.15323	4.6
247.16859	7.2
249.14989	6.9
253.19522	3.0
255.21117	2.6
257.15381	2.3
257.22714	1.3
259.16940	12.7
259.19659	1.6
263.16345	2.5
267.20966	2.8
269.06668	1.3
273.18472	2.4
281.22504	1.4
285.18518	6.5
287.07614	3.6
287.20062	7.7
299.20074	5.1
301.21570	1.3
305.08640	7.8
309.12323	2.1
313.21628	2.7
323.09723	2.0
375.16647	1.5
391.33548	13.4
393.35043	2.8
395.29260	1.9
409.34479	4.8
411.36404	1.3
437.34158	100.0
438.34445	3.5
455.29062	2.2
455.35205	41.5
490.19528	1.3
542.22217	1.4
551.26978	1.1
631.31256	1.9
812.40271	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	811.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	12.2
57.07064	2.5
58.77107	2.5
59.04970	2.1
67.05508	19.2
69.03423	6.1
69.07066	14.6
71.01336	4.3
71.04607	2.5
71.04989	34.5
71.55746	1.8
73.02919	5.7
75.04469	8.0
79.05491	14.2
81.03401	8.0
81.07063	31.8
81.32648	1.9
83.04491	3.5
83.04978	58.2
83.08620	10.5
84.30480	2.0
85.02905	100.0
88.58462	2.2
91.05480	15.2
93.07050	23.0
94.60900	1.9
95.01334	20.2
95.04948	5.4
95.08604	50.0
97.02898	9.9
97.06525	3.3
97.10157	3.3
97.38908	1.8
99.00786	2.9
99.04476	2.3
99.12991	1.9
101.02395	2.7
101.06013	3.3
105.07022	30.8
107.04955	2.8
107.08595	33.1
109.02869	2.9
109.06541	3.5
109.10156	38.0
111.04443	44.4
111.08064	8.5
113.02351	5.7
115.03925	3.0
117.07011	5.1
119.08579	55.2
119.88282	1.7
121.10144	28.1
123.04446	2.4
123.08089	2.0
123.11699	7.9
125.86990	1.9
127.03897	3.6
128.06224	1.9
129.05482	23.9
129.07011	4.2
131.03383	3.1
131.04819	2.4
131.08566	22.0
133.10121	37.6
135.04366	2.3
135.11693	16.6
136.06215	2.9
137.13235	2.8
139.03966	2.2
139.11093	2.9
141.01817	58.5
143.08560	7.0
145.10107	30.0
147.06528	16.8
147.11678	39.3
149.13254	34.8
150.64767	2.0
153.09044	2.5
155.08626	2.7
157.10126	12.1
159.02910	13.2
159.11711	22.2
161.13231	28.3
162.07736	4.4
163.03920	4.6
163.14825	17.0
169.10075	2.2
171.11688	9.6
173.13263	23.2
175.14806	21.5
177.12747	2.0
177.16402	19.8
183.02849	2.2
183.11696	3.5
185.13222	14.6
187.14821	26.1
189.16377	29.3
191.17953	8.7
193.12248	2.5
193.15936	2.3
197.13200	4.4
199.14825	14.7
201.16388	49.4
203.14346	6.6
203.17943	33.3
205.15889	30.6
205.19467	4.5
207.14038	2.7
207.17519	10.6
209.13286	2.7
211.14836	4.9
213.16365	16.1
215.14445	2.3
215.17992	11.7
217.15784	4.3
217.19461	5.4
218.19739	2.1
219.17485	6.4
221.15390	2.9
221.19025	3.6
223.16989	3.0
225.16443	4.4
227.18021	5.5
229.19635	2.2
231.17390	4.7
233.18970	3.9
237.16254	3.4
239.17944	6.5
241.07249	2.1
241.19511	9.2
243.21210	2.5
245.15356	6.4
247.17082	13.7
249.14807	9.7
249.18523	6.3
253.19476	4.6
255.20929	3.3
259.16971	4.7
267.21136	4.4
269.06540	5.2
273.18405	2.8
281.22705	3.6
285.18536	3.6
287.07553	7.2
287.20117	4.0
291.45642	2.4
305.08655	18.3
319.24008	2.4
321.26120	2.1
323.09628	4.1
325.21335	3.1
327.23108	3.9
355.15414	3.7
389.31870	9.5
391.33539	3.9
395.29361	12.3
407.33026	28.8
409.34552	5.9
413.30447	6.5
423.32590	7.0
425.34076	9.3
435.32599	71.8
437.34216	3.0
441.33249	4.0
452.12830	2.2
453.33658	85.9
454.34219	2.8
471.34833	15.1
553.57031	2.1
565.35095	6.6
582.55151	2.4
611.35278	3.7
629.36407	2.9
811.41187	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	811.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
59.05014	0.4
60.08158	0.4
61.02931	4.9
67.05505	4.6
69.03421	3.3
69.07070	2.4
69.95998	1.7
71.01337	0.4
71.04990	1.9
71.84359	0.3
73.02911	3.6
79.05496	3.7
81.03423	5.3
81.07057	4.8
83.04991	1.0
83.08614	1.8
85.02902	5.5
85.06554	0.7
86.09715	1.0
87.04478	1.0
91.03961	2.0
91.05482	4.3
93.07040	4.1
95.04951	1.8
95.08633	2.7
97.02902	3.3
97.06548	0.9
97.10153	0.5
98.20915	0.5
99.04482	1.1
101.01819	0.4
101.02369	2.0
103.03975	0.3
105.07038	3.5
105.76691	0.3
107.08612	2.0
109.02909	0.6
109.06561	0.4
109.10180	1.8
109.10829	0.4
117.07085	0.5
119.08570	2.1
121.10149	2.9
123.08136	0.5
124.07333	0.4
124.42174	0.4
125.00047	0.7
127.03949	1.2
129.05481	0.4
129.07031	1.0
131.08551	2.3
133.10155	1.4
135.11732	0.7
140.95267	0.4
145.10156	0.6
147.11705	1.4
149.09612	1.7
157.10191	1.5
159.11688	0.5
175.11243	1.2
184.07364	3.7
185.04326	1.0
185.07671	0.5
193.12300	1.3
199.98442	0.4
203.05318	0.6
225.14809	0.4
241.06944	0.5
243.08441	3.4
267.16098	1.0
283.15088	3.5
301.09091	0.6
301.41113	0.4
329.22406	0.4
333.20374	2.4
339.17993	1.0
389.22900	0.7
404.19333	0.3
408.11929	0.3
413.18027	0.8
439.19537	0.9
453.21027	1.0
469.20737	1.0
501.23077	14.7
502.23813	0.6
551.28381	6.6
641.31427	0.6
702.12427	0.4
721.37390	2.6
761.28241	0.4
795.64319	0.4
800.21954	0.5
811.44458	100.0
812.44971	4.4
840.73822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.1
57.03441	6.7
57.07067	1.4
61.02929	8.1
67.05515	10.5
69.03415	5.3
69.06704	1.0
69.07071	3.9
71.04990	1.5
71.56241	1.2
73.02928	5.8
79.05478	5.2
81.03428	7.1
81.07056	8.1
83.01124	1.2
83.05002	1.4
83.08628	3.6
85.02909	9.8
86.09715	1.1
87.04443	1.1
91.03962	6.8
91.05473	6.3
93.07059	6.1
95.01127	1.2
95.04996	3.0
95.08643	3.1
96.01845	1.2
96.04098	1.1
97.02908	8.5
97.06575	1.7
97.10161	2.6
99.04494	1.6
101.02405	3.7
105.07059	4.0
107.04974	1.4
107.08579	4.9
109.02888	1.8
109.09518	1.1
109.10139	5.2
111.04335	1.2
113.23266	1.0
115.03893	1.2
117.05524	2.0
117.07041	1.7
119.08618	3.2
121.10151	2.7
123.04278	1.1
125.09640	1.7
127.03953	3.8
127.11237	1.2
129.05508	1.8
131.08600	3.3
133.06447	1.1
133.10182	2.6
135.11710	1.9
145.10146	2.7
149.09550	1.1
156.03983	1.4
157.04733	1.4
157.10170	1.4
163.11160	1.6
167.03185	1.4
173.11708	2.3
181.04750	2.1
184.03398	1.3
184.07396	1.1
185.04178	11.0
193.12172	1.4
195.06328	1.4
199.05795	1.7
199.13202	1.3
201.03705	5.4
203.05293	1.1
211.13437	1.3
223.13220	1.5
227.05315	1.7
229.14320	1.3
241.06903	1.2
243.08382	10.5
249.10912	1.3
267.09210	1.3
267.12054	1.0
277.21448	1.1
301.08963	28.0
313.08978	3.5
315.10516	7.1
317.08618	1.3
327.10577	2.1
331.18881	1.5
333.17560	1.1
341.11963	2.0
355.13693	1.8
357.15283	2.5
365.15842	1.3
369.15466	1.5
371.16727	1.3
373.11008	9.6
383.16888	3.9
385.18381	15.5
387.12634	2.1
401.17914	2.0
413.18051	8.0
415.15860	1.9
429.17429	3.6
439.19623	3.7
443.19067	3.2
455.18851	2.0
457.20645	3.4
465.21042	1.7
467.19016	2.9
469.20718	4.0
473.19928	2.0
481.20154	4.9
485.20261	4.7
499.21448	1.5
511.21378	3.0
525.23181	1.8
527.20923	5.2
549.26331	1.5
553.22528	2.4
557.22076	2.4
567.27039	1.1
568.36261	1.2
581.29395	1.3
596.31836	3.4
599.30457	2.8
609.31177	7.8
611.30237	6.8
623.30585	2.2
639.29907	3.6
641.31445	19.2
657.31195	2.2
667.31995	1.6
683.32532	8.5
693.36273	1.5
707.32214	2.0
709.36273	1.5
716.41254	1.2
721.37555	24.4
725.33612	23.9
765.38989	2.1
793.39423	2.0
811.40930	100.0
812.40778	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	810.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.04969	0.1
61.02928	1.4
65.03956	0.1
67.02988	0.1
67.05499	1.6
69.03426	0.8
69.07062	0.4
71.04986	0.3
71.55875	0.1
71.56287	0.1
73.02919	0.6
79.05490	1.7
81.03416	6.6
81.07056	1.6
83.04968	0.9
83.08617	1.5
85.02903	1.9
85.06519	0.2
89.03909	0.1
91.03949	0.5
91.05477	2.7
93.07043	1.2
95.04961	2.2
95.08591	0.8
97.02896	1.2
97.06529	0.2
97.10178	0.3
99.08102	0.1
101.02358	0.2
105.07021	1.7
107.04967	0.7
107.05598	0.1
107.08604	0.5
109.02882	0.2
109.06513	0.4
109.10169	0.2
111.04428	0.3
111.08103	0.7
115.05486	0.2
117.03325	0.1
117.07032	0.2
119.03543	1.1
119.04900	0.2
119.08585	1.5
121.06454	0.2
121.10147	0.5
123.04424	0.1
123.08054	0.2
123.11681	0.1
127.03895	0.3
129.07002	1.1
131.08553	0.9
133.06479	0.4
133.10095	1.1
135.04440	0.2
135.08023	0.2
135.11658	0.2
136.06180	100.0
137.04601	0.8
137.06685	0.5
137.09633	0.2
142.07748	0.2
145.02852	0.1
145.10092	0.2
147.08058	0.3
147.11699	1.2
149.09615	0.6
150.05544	0.1
152.05696	0.2
157.10098	1.5
163.03897	1.2
165.12720	0.3
175.11191	1.1
178.07275	0.2
189.05487	0.3
193.12241	2.9
211.13266	2.2
249.15038	0.1
267.15903	4.9
285.16959	2.5
298.11469	0.1
301.09271	0.1
312.08728	0.1
337.68933	0.1
346.18762	0.1
367.22583	0.3
385.23572	0.4
433.26175	0.2
441.26074	0.2
459.27368	1.9
477.28534	1.9
630.34845	1.9
648.35907	2.4
792.40234	3.1
793.39655	0.2
810.27350	0.1
810.41278	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03504	1.7
59.05054	0.5
59.59776	0.6
61.02999	4.2
67.05585	6.3
69.03516	2.7
69.07140	1.7
70.04155	2.9
70.06640	0.5
70.80219	0.6
71.05070	1.5
73.03012	3.7
73.64301	0.5
77.77293	0.5
78.27020	0.5
79.05585	1.8
81.03437	3.9
81.07079	4.6
83.05027	1.1
83.08701	1.4
83.52911	0.5
85.03005	6.0
85.06657	0.5
87.04544	0.6
91.03977	3.3
91.05585	3.4
93.07149	1.7
95.05083	1.8
95.08722	1.8
96.08246	3.3
97.02896	4.7
97.10242	0.5
99.04537	1.0
101.02478	1.6
101.55193	0.6
105.07150	1.8
107.08698	1.1
108.95879	0.5
109.02962	1.3
109.10171	5.3
111.04607	0.6
119.08708	1.9
121.10247	1.2
127.04046	2.1
127.09090	0.5
127.40633	0.5
129.05591	1.2
131.08682	1.3
133.10277	1.6
135.11772	0.8
143.08682	0.6
147.11786	1.0
155.10770	1.0
157.10226	0.8
163.15118	0.6
173.10576	0.6
173.11916	2.3
175.11264	0.7
177.16479	0.5
183.46265	0.5
185.04337	1.3
193.12267	3.0
195.10014	0.6
201.04019	0.6
203.18098	0.6
208.52423	0.6
211.13503	1.3
229.14494	0.7
243.08482	4.0
251.12601	2.8
280.13892	0.5
301.09113	2.8
307.15237	0.7
349.16650	1.2
367.17371	0.8
373.11273	1.1
385.18707	1.8
387.12863	0.6
413.17865	13.5
413.23111	0.8
429.17520	0.9
443.19125	0.7
457.20941	0.9
469.20447	15.6
470.20706	0.7
479.26382	1.5
485.20245	1.0
497.43710	0.7
499.21539	1.0
520.17169	0.7
528.21570	1.3
541.22687	1.8
583.28076	0.7
611.30554	1.2
612.31079	1.9
639.29095	1.2
641.31427	100.0
642.31696	3.5
667.33099	1.3
669.34198	2.5
697.34119	2.8
713.33435	1.3
718.39612	0.8
721.37512	5.6
811.40924	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	809.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.8
57.03429	2.6
59.04998	1.1
61.02930	4.3
62.88748	0.5
66.07277	0.3
67.05506	5.0
69.03430	3.4
69.07075	3.3
71.01350	0.7
71.04980	1.5
71.54497	0.7
73.02923	3.7
73.12849	0.4
79.05495	4.6
80.92751	0.4
81.03420	6.0
81.07063	4.2
83.04995	1.7
83.08620	1.9
83.67731	0.4
85.02910	5.2
85.06521	0.4
87.04463	0.7
91.03955	2.3
91.05482	5.0
93.07047	3.9
95.04974	2.4
95.08614	2.2
97.02892	4.2
97.06553	1.0
97.10197	1.4
98.97617	0.8
99.04504	0.8
101.02402	1.4
103.03967	0.5
105.07037	3.5
107.04970	0.9
107.08575	2.3
109.02908	0.9
109.06549	1.1
109.10162	2.2
111.04462	0.5
111.08105	1.1
115.03903	0.4
117.07023	1.0
119.08586	2.4
121.06563	0.6
121.10155	1.7
123.01247	0.4
125.09639	1.4
127.03928	1.6
129.07045	1.1
131.08559	2.0
131.30205	0.4
133.10106	1.9
135.11737	0.6
138.09763	0.5
139.78674	0.4
145.05058	0.5
145.10156	1.1
146.77777	0.5
147.08078	0.8
147.11739	1.7
149.09636	2.2
151.11212	0.5
157.10196	1.1
163.11212	0.7
175.11246	1.3
184.07416	0.5
185.04207	0.5
189.11375	0.5
193.12251	2.2
211.13399	1.3
223.13356	1.3
225.14931	0.6
229.14319	0.6
243.08446	3.9
252.02731	0.4
255.09241	0.6
267.09378	0.4
267.16080	1.1
283.15228	4.3
285.10144	0.6
285.17059	0.5
291.19681	1.6
301.09076	0.8
313.09250	0.5
323.11023	0.6
331.18945	1.8
333.17297	0.6
339.17874	1.1
351.18558	1.1
357.15796	1.0
358.15729	0.5
387.21606	0.7
410.00110	0.4
461.21356	0.7
461.71680	1.2
467.18753	0.6
469.20480	0.7
471.22305	3.7
471.72702	0.9
477.98428	0.5
500.83929	0.4
501.23050	13.9
549.26721	6.2
639.30035	2.3
647.38220	0.5
665.31879	0.5
791.37732	0.6
809.42920	100.0
810.43250	3.6
820.15430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.3
59.05004	1.3
61.02929	5.2
65.03951	0.6
67.05503	9.6
68.05850	1.2
68.83752	0.5
69.03426	3.7
69.07063	1.9
71.01347	1.0
71.05000	2.4
71.56159	0.7
73.02920	4.0
79.05490	4.8
81.03420	8.7
81.07048	8.2
82.03802	0.6
83.04977	2.4
83.08604	2.3
84.61420	0.5
85.02912	6.9
87.04475	1.0
90.88232	0.6
91.03961	3.1
91.05487	8.2
92.05832	0.7
93.07043	4.8
95.04980	3.4
95.08611	4.2
97.02914	5.1
97.06545	1.4
97.10161	1.1
99.04453	1.2
99.08131	0.5
101.02386	1.6
103.03934	0.7
103.06183	0.5
105.07036	4.1
105.39131	0.5
107.04977	1.4
107.08595	3.7
109.02840	1.1
109.06528	1.8
109.10159	5.1
111.04449	0.6
111.08106	1.6
117.06997	0.9
119.08587	3.4
121.06522	0.7
121.10155	2.6
123.08089	0.6
124.99982	0.5
125.09711	0.6
127.03949	1.5
129.05496	0.8
129.07016	1.7
130.31047	0.5
131.08582	2.3
133.10086	3.1
135.08073	0.6
135.11726	0.8
145.10159	2.1
147.11731	2.3
147.92340	0.5
149.09654	1.7
151.11189	0.5
157.10147	1.5
159.11723	0.5
163.11195	1.2
171.11772	0.5
173.11803	1.3
175.11218	1.8
184.07430	1.6
185.04260	0.6
193.12270	3.9
194.12590	0.7
203.05399	0.7
211.13245	2.8
212.13647	0.9
225.14867	0.6
227.12854	0.7
229.14496	2.5
230.14746	0.5
243.08394	4.6
249.11021	1.0
267.16095	1.6
268.16199	0.8
283.15225	3.1
285.17120	1.6
286.17328	1.0
301.09048	1.1
313.17639	1.2
315.10504	0.6
331.18869	2.2
339.17932	1.8
357.15097	0.5
373.11133	0.7
409.17767	0.5
413.17841	2.6
439.26913	0.6
440.27521	1.1
441.21539	0.7
451.19641	1.9
467.18753	3.6
469.20468	1.1
501.23059	14.0
531.25452	2.6
539.20813	0.5
549.26666	3.1
573.25214	2.0
610.30188	0.6
612.37921	1.2
639.29919	20.6
640.29901	0.8
667.33044	0.9
695.32227	0.6
711.35284	1.7
740.36005	0.7
791.42041	6.5
809.42847	100.0
810.43054	3.7
833.61401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
57.07037	0.5
59.04993	0.6
61.02929	3.9
67.05508	7.2
69.03430	3.2
69.07069	0.7
70.06598	0.6
71.04998	0.6
71.55295	0.7
73.02923	2.9
73.91368	0.5
79.05490	2.1
81.03425	2.7
81.07081	2.3
83.04999	0.9
83.08626	1.4
85.02913	5.5
85.52309	0.4
91.03952	3.3
91.05482	2.1
93.07051	1.8
95.04959	0.8
95.08612	2.0
97.02912	4.2
99.04459	0.6
101.02402	1.9
105.07043	0.9
105.18994	0.5
107.08605	1.1
109.02862	1.1
109.06479	0.6
109.10167	6.6
118.15498	0.4
119.08600	1.5
121.10155	1.0
123.08128	0.5
127.03935	1.7
135.11720	1.4
137.09615	0.8
145.10156	1.5
147.11703	0.6
149.02400	0.6
155.10643	1.2
163.11252	1.9
173.11728	2.2
176.00316	0.4
184.07396	0.9
185.04231	1.8
195.09799	0.5
229.14510	1.5
243.08412	3.0
249.11072	0.7
283.15543	0.8
288.59619	0.5
301.08990	2.3
305.13593	0.7
315.10550	0.6
369.15320	0.8
373.11148	1.3
385.18454	1.5
413.17883	12.1
429.17581	0.9
467.18991	11.3
469.20645	0.8
477.24765	0.7
497.20041	0.9
498.21143	0.9
539.20917	0.8
581.29224	3.4
582.29779	0.8
609.28473	0.9
611.30457	0.5
637.28326	0.6
639.29877	100.0
640.30450	5.0
665.31885	1.0
667.33148	2.8
695.32611	3.6
705.37823	0.6
711.31763	0.5
766.83746	0.6
809.39343	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	809.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.1
57.03416	1.8
61.02922	2.3
65.03934	4.2
67.05505	14.2
68.02626	1.2
69.03430	14.4
69.96404	1.0
71.01348	4.5
71.06058	1.9
79.05487	7.3
80.81523	0.9
81.03421	7.2
81.07066	5.3
83.04964	4.5
85.02913	8.6
87.04446	1.0
90.11602	1.0
91.05484	51.9
93.03421	5.8
93.07041	2.0
93.43487	1.1
95.01299	2.7
95.04379	1.7
95.04975	30.7
97.02895	15.7
98.97566	2.9
99.00806	2.6
99.04420	1.4
103.03938	3.5
103.05466	2.3
105.03394	3.3
105.07027	2.1
107.04960	6.7
109.02886	6.1
109.06517	7.4
111.04469	7.8
115.03917	1.9
119.04947	61.9
121.02876	12.8
121.06488	4.1
123.04435	58.3
125.02351	12.2
125.06013	2.2
126.16071	0.9
127.03970	5.0
129.03384	1.3
131.03432	2.4
131.04976	2.2
133.00414	1.0
134.44063	0.9
135.04404	5.6
137.05975	16.0
139.03906	76.2
140.04247	1.8
145.02837	3.3
145.04980	3.0
147.04413	88.3
149.02342	19.1
149.05981	6.4
151.03847	3.4
151.07498	1.6
153.05481	4.7
158.99654	2.5
161.05975	2.8
162.13051	1.1
163.03946	5.3
165.05482	27.2
166.05768	1.0
167.03404	13.2
168.35590	0.9
170.99660	1.0
175.03917	100.0
176.04305	1.7
177.00613	1.3
177.05481	6.2
179.07040	11.3
181.04962	76.2
189.05478	12.3
191.03392	1.7
193.04965	77.7
195.06575	2.1
197.08078	2.1
202.06747	2.0
203.07452	2.3
205.04971	2.1
207.06526	46.8
211.06013	25.2
211.08006	1.5
219.01683	1.7
225.07587	76.8
226.07895	1.2
237.02841	1.4
243.08649	87.3
261.09653	2.2
267.58545	1.1
325.09204	1.3
337.09088	6.3
343.10080	1.5
351.10617	3.6
355.10275	13.7
369.11996	2.0
373.11234	7.3
387.12616	2.8
396.13681	1.1
404.13129	2.0
404.63611	1.8
405.11316	6.2
406.13394	3.5
423.13443	1.9
453.13824	1.3
567.16968	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15083	0.7
61.02960	0.8
61.54325	0.8
65.03938	3.1
67.05508	10.0
69.03447	1.9
69.46715	1.5
69.47123	4.6
71.01340	1.2
79.05500	6.5
80.05801	0.9
81.03404	0.8
81.07043	1.9
85.02909	7.0
91.05484	41.1
92.05801	3.8
93.07029	1.4
95.04972	17.2
96.05298	1.0
97.02885	2.1
98.20837	2.0
99.00816	3.3
103.03963	1.9
103.05456	1.9
105.03387	3.4
107.04961	1.9
109.02840	0.9
109.06522	2.3
112.61008	0.7
119.04945	70.1
119.41975	0.8
120.05283	6.9
123.04428	14.7
127.03993	1.4
129.03342	6.4
131.03412	3.3
131.04938	2.1
131.97974	0.8
133.06508	3.5
135.04433	2.1
137.05989	2.2
145.02849	2.9
145.04973	2.8
147.04419	100.0
148.04732	7.7
149.06004	2.3
151.07594	1.1
161.06006	6.9
165.05478	12.5
166.05838	1.7
175.03914	53.5
176.04239	6.8
177.05481	4.9
179.07048	8.3
179.72473	0.8
180.07419	1.4
189.05476	59.9
190.05812	6.7
193.04967	21.4
194.05280	1.3
207.06540	79.8
208.06905	10.6
225.07581	75.1
226.07928	10.2
381.09644	1.4
395.11566	1.0
395.63126	1.0
405.13953	2.9
413.12323	1.8
422.58997	0.9
665.97272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88520	1.5
65.03937	2.4
67.05505	9.5
68.07504	1.6
69.03419	3.8
71.01353	2.0
71.54047	1.9
77.06912	1.4
79.05502	9.0
81.03384	2.3
81.07048	2.2
83.14168	1.6
85.02890	9.7
88.50734	1.5
91.05489	49.6
92.05823	4.6
95.04964	19.4
97.02889	4.2
98.97597	3.7
99.00824	3.1
101.73801	1.6
103.03934	2.7
103.05455	2.1
105.03398	2.2
107.04951	1.8
109.06519	2.9
109.86758	1.7
118.04131	2.3
119.04946	82.1
120.05265	7.2
123.04430	14.1
129.03366	5.6
129.97243	1.5
131.03397	5.4
131.04945	2.6
133.06488	7.0
135.04396	2.4
137.05934	2.9
145.02850	5.4
145.04930	2.4
147.04416	100.0
148.04749	10.4
149.05954	3.8
158.99681	1.9
161.06013	8.5
165.05516	14.7
170.01089	1.7
175.03914	64.0
176.04253	6.5
177.05524	6.4
179.07001	8.8
189.05479	59.9
190.05814	9.2
193.04939	23.2
194.05382	3.8
203.07555	3.0
207.06529	83.8
208.06845	14.2
213.70709	1.6
225.07587	90.7
226.07988	11.4
232.03250	1.8
345.06949	1.6
350.99231	2.0
393.69922	1.6
395.12494	2.3
404.13208	1.9
404.63571	2.2
405.14032	6.2
421.00214	1.8
566.26788	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03164	1.6
57.03437	22.7
59.04989	4.6
61.02917	4.9
65.03957	2.1
67.05508	79.3
69.03429	9.5
69.07072	12.3
69.79604	5.2
69.80013	3.5
71.01363	3.4
71.04994	8.6
73.02913	3.3
77.03917	1.3
79.05494	36.1
81.03419	73.7
81.06601	2.3
81.07056	42.6
83.04979	19.9
83.08622	30.6
85.02443	2.2
85.02908	34.3
85.06542	5.3
87.04456	4.7
88.01630	1.5
91.03935	2.5
91.04910	2.5
91.05482	47.2
93.06494	1.8
93.07049	25.7
95.04971	31.1
95.08602	20.9
97.02402	1.1
97.02897	9.6
97.03424	1.6
97.06522	5.9
97.10174	14.1
99.04471	1.5
99.08072	2.9
105.04546	1.3
105.07035	31.3
107.04956	12.2
107.08611	14.5
109.06499	7.2
109.10161	54.7
111.04418	4.7
111.08080	14.3
113.05994	3.4
115.05466	1.4
117.06988	4.0
119.08588	27.2
120.08970	1.4
121.06521	2.8
121.10142	10.4
123.08089	3.3
123.11705	2.7
124.57547	1.3
125.00012	1.9
125.09624	12.6
127.03948	2.1
129.05505	2.3
129.07014	15.5
130.08649	2.0
131.08572	14.7
133.06482	2.8
133.10146	13.7
135.11653	4.4
137.09573	3.3
142.07826	2.7
143.10649	3.3
145.09036	1.6
145.10098	7.2
147.08014	3.9
147.11693	16.2
149.09605	6.4
153.12741	3.8
155.10643	4.0
157.10147	15.5
163.11166	9.7
165.12788	3.2
173.11755	14.2
175.11165	14.2
181.12193	1.7
184.07335	5.1
191.10590	3.8
193.12238	59.1
198.59789	1.4
199.13319	8.2
209.11696	6.4
211.13290	100.0
212.13647	2.0
217.14316	2.4
227.12790	6.1
229.14339	47.6
230.14622	1.8
265.14160	2.4
267.15933	28.4
268.04819	1.5
283.15378	4.6
285.16962	63.9
301.16522	13.1
401.25369	16.2
409.25711	5.8
421.25949	9.2
427.27240	3.4
427.91980	1.4
439.21246	3.0
439.26935	45.1
493.27621	4.1
511.28757	8.8
529.29846	2.9
582.65558	1.9
593.36200	1.5
611.37897	32.2
639.29767	13.1
691.03046	1.8
772.10376	2.0
808.41376	5.2
809.40234	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	806.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	2.7
57.03439	31.8
57.07070	3.7
58.99144	1.8
59.04988	6.4
61.02916	7.1
65.03923	5.4
67.05504	88.9
69.03423	18.4
69.07069	70.2
69.67743	10.2
70.04208	3.5
71.01344	7.7
71.04986	29.4
73.02917	14.5
77.03918	2.4
79.05492	88.2
81.02927	3.4
81.03416	70.7
81.07056	93.1
83.04985	27.5
83.08624	33.7
84.02113	3.7
85.02425	2.7
85.02904	28.4
85.06534	8.1
91.03963	3.6
91.05481	94.9
93.07043	75.1
95.04367	3.3
95.04966	53.2
95.08050	3.3
95.08603	33.7
97.02889	21.7
97.06532	100.0
97.10149	11.8
98.20826	2.1
99.04439	6.2
99.08081	8.6
101.02354	2.2
103.03960	3.3
103.05471	4.0
105.04483	3.2
105.07033	52.2
107.04960	21.0
107.08594	32.5
109.02863	4.8
109.06526	23.7
109.10143	16.9
111.04456	5.8
111.08086	24.1
113.06033	5.0
115.03937	2.4
115.05453	5.1
115.07564	38.2
116.04681	4.2
117.07001	19.2
119.08581	36.4
121.06494	16.9
121.10144	23.9
123.08072	13.1
123.11688	8.4
125.09631	8.2
127.03918	5.3
127.07542	5.6
128.06212	2.0
129.05482	14.4
129.06984	19.4
130.07816	4.2
131.07008	5.1
131.08565	30.3
133.06494	7.9
133.10123	46.6
135.08054	14.1
135.11685	12.1
137.09621	6.8
139.07506	9.8
142.07788	4.7
143.07010	4.5
143.08539	6.5
145.04909	2.2
145.10149	18.2
147.08031	11.4
147.11681	24.5
149.09610	14.5
149.13269	13.0
151.11194	5.2
155.08575	4.4
157.08607	8.1
157.10104	22.1
159.08067	3.7
159.11623	10.4
161.09601	6.5
163.11189	11.8
165.09004	2.0
165.12706	7.0
169.10092	4.2
171.06563	2.1
171.10287	2.0
171.11661	6.5
173.04533	4.2
173.09622	4.4
173.11763	4.2
173.13214	1.9
175.11169	21.3
177.12772	5.1
181.12299	3.0
183.11720	3.4
185.11739	2.5
187.11227	5.0
187.13278	3.3
189.05510	3.0
189.11232	3.5
193.10464	2.8
193.12241	50.2
194.13039	3.8
195.13799	6.6
197.11708	2.5
199.13141	3.3
199.14830	2.2
211.13284	68.6
217.15849	5.2
219.13895	3.1
223.13130	2.4
227.12680	9.5
227.17990	2.0
229.14305	4.5
233.15337	3.2
243.15833	10.0
249.14812	5.1
253.14276	3.7
255.15915	5.8
261.18317	2.5
267.15958	38.8
268.16690	12.7
269.17471	33.6
273.18478	22.5
275.20010	6.1
283.15396	13.5
285.16949	49.8
289.17883	4.5
291.19638	9.3
299.14795	3.2
301.16498	19.8
307.18887	3.3
315.19614	2.4
347.22092	6.7
349.23773	4.5
359.68069	2.0
365.23166	9.0
437.25351	6.4
439.26938	8.0
453.28360	6.6
459.26767	2.2
460.28027	9.6
461.29025	14.9
477.28357	5.8
478.29175	7.5
479.30096	25.8
495.29581	7.6
533.30780	2.6
557.34558	6.9
573.34174	9.2
575.35205	6.0
591.35510	5.9
641.34747	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	806.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	18.4
57.07069	3.2
59.04985	5.0
61.02915	5.1
63.47828	2.0
65.03961	2.5
66.86934	1.4
67.05506	63.6
69.03423	4.5
69.07065	8.7
71.01334	1.8
71.04983	6.4
71.08601	2.0
71.56544	3.2
73.02917	3.9
79.05488	27.2
81.03414	16.3
81.07060	36.9
83.01336	10.3
83.04965	14.2
83.08621	21.2
85.02911	18.9
86.09669	1.6
87.04466	3.7
88.07635	3.7
91.05476	21.8
93.07038	31.1
95.04960	11.5
95.08604	17.9
95.75374	1.7
97.02901	8.3
97.06500	5.3
97.10191	11.2
99.04440	5.0
99.08057	1.7
105.07025	12.3
107.04970	12.0
107.08591	23.0
109.06509	7.9
109.10155	49.3
111.04460	3.9
111.08092	4.1
117.07008	8.1
119.08601	13.7
121.06508	4.1
121.10154	10.7
123.08049	10.3
125.09648	11.0
129.06979	2.1
131.08539	3.5
133.10133	5.2
135.08037	3.3
135.11681	16.3
137.09624	3.4
139.07591	1.6
143.10661	2.3
145.10124	14.4
147.08031	2.6
147.11711	2.9
149.02310	7.4
153.12737	5.4
155.08553	2.1
155.10646	3.1
163.11176	29.2
173.09593	3.8
173.11755	11.5
181.12277	4.6
184.07358	1.7
191.10666	6.1
193.04996	2.3
193.12270	2.5
199.13318	4.6
209.11754	16.5
213.11632	1.5
227.12718	11.1
229.14349	49.0
246.99847	1.9
256.26340	4.2
264.68518	1.7
267.16031	3.6
283.15393	100.0
285.16647	1.7
301.16422	14.8
341.06766	2.1
401.25348	9.9
421.06226	1.9
425.25244	7.7
437.25342	39.5
509.27689	12.0
527.28497	3.1
609.36237	21.3
734.57251	1.9
806.37146	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	806.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03154	1.4
57.03442	26.0
57.07070	1.9
59.05004	5.5
61.02923	5.5
61.24127	0.8
65.03944	3.8
67.05510	100.0
69.03426	8.5
69.07074	19.0
70.58092	0.9
71.01360	3.0
71.04996	8.2
73.02927	3.7
77.03905	1.0
79.05498	47.4
81.03422	85.6
81.07060	53.9
83.04490	2.1
83.04984	25.9
83.08620	31.3
83.09117	1.5
85.02909	39.8
85.06537	6.3
87.04483	4.7
90.79543	0.8
91.03964	1.5
91.05488	51.6
91.17811	0.9
93.07050	35.7
95.04975	35.1
95.08612	20.5
95.09180	1.7
97.02896	9.4
97.06528	10.4
97.10175	17.6
99.04453	1.9
99.08108	2.8
102.48174	1.0
103.03983	1.4
103.05453	1.2
105.04546	1.9
105.07037	33.0
107.04971	12.9
107.08604	21.8
109.06538	8.3
109.10160	60.9
111.04422	5.8
111.08090	15.4
113.06009	3.3
115.05469	2.5
117.07021	6.5
119.04932	1.1
119.08589	31.9
121.06536	3.3
121.10148	14.7
123.04409	1.6
123.08059	6.4
123.11732	1.7
125.05986	1.3
125.09634	15.7
127.03911	1.5
128.06160	1.3
129.05493	3.8
129.07004	15.8
131.08572	17.1
133.06528	2.4
133.10123	18.3
135.08046	2.0
135.11671	5.8
137.09607	4.5
142.07814	2.8
143.07069	1.2
143.10663	1.5
145.06500	1.2
145.10138	8.6
147.08093	6.0
147.11694	19.8
149.09647	7.5
151.11203	1.8
153.12782	3.9
155.10692	4.1
157.08797	1.8
157.10133	16.7
163.11174	11.1
165.12796	4.3
173.09631	2.1
173.11754	16.8
173.13174	1.3
175.11195	18.9
181.12236	3.8
184.07356	1.3
185.25145	0.9
189.11179	1.9
191.10695	3.2
193.12254	62.4
194.12868	1.2
199.13249	5.4
203.67992	0.9
209.11787	7.2
211.13301	87.7
217.14273	1.2
227.12834	7.5
229.14348	46.7
230.14801	1.1
249.14931	2.4
253.14427	3.4
257.13898	1.2
265.14551	1.4
267.13052	1.5
267.15918	26.7
267.18628	2.0
273.18494	1.2
283.15436	7.2
285.16977	71.8
293.21234	1.5
301.16483	11.4
315.17984	1.1
399.23856	16.4
409.25787	2.5
421.25873	9.3
425.25284	1.1
427.26947	4.1
439.26929	47.6
440.27527	1.0
475.26910	1.4
477.28366	2.0
493.27924	3.5
509.30740	2.1
511.29199	10.4
529.30212	2.5
591.35706	1.9
609.36353	40.6
610.36230	1.7
621.33307	1.0
641.95892	1.1
737.20526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	34.1
57.07080	4.0
59.04997	5.2
61.02930	10.0
65.03921	6.6
67.05505	98.8
69.03435	26.9
69.07069	72.6
69.36485	10.2
69.36907	4.5
70.04189	3.2
71.01343	7.1
71.04995	32.3
71.75478	1.6
73.02915	12.2
79.05492	97.2
80.39300	1.7
81.03422	75.4
81.07059	100.0
83.04981	29.4
83.08620	33.3
85.02905	30.8
85.06552	8.8
86.09705	2.9
87.04476	2.4
91.03944	3.8
91.05482	93.6
92.06238	1.8
93.07047	81.2
94.07326	1.7
95.04382	2.9
95.04972	52.2
95.08608	31.3
97.02895	16.1
97.06534	95.6
97.10167	14.3
98.07325	3.7
99.04456	4.5
99.08088	7.2
103.05473	3.2
105.04515	5.1
105.07033	56.0
107.04966	22.2
107.08598	35.7
109.02856	2.9
109.06518	34.1
109.10164	20.6
109.79154	1.9
111.04436	6.3
111.08088	24.6
112.13922	1.8
113.05956	5.6
115.05430	5.1
115.07587	29.8
116.04713	5.6
117.07027	24.1
119.04887	3.9
119.08579	44.7
121.00090	1.7
121.06490	14.8
121.10140	21.9
123.04404	3.7
123.08083	13.6
123.11691	5.6
125.09630	11.6
127.03913	6.7
127.07536	3.9
128.06236	4.1
129.05511	21.0
129.06985	22.5
130.07777	4.2
131.07051	4.1
131.08568	32.4
133.06590	9.1
133.10138	38.9
135.08043	11.2
135.11716	14.1
137.05943	2.4
137.09619	6.8
139.07526	10.1
141.06984	4.5
142.07784	3.4
143.07036	3.0
143.08586	9.7
145.06502	4.4
145.10130	17.1
147.08069	9.2
147.11662	19.7
149.09622	15.7
149.13275	9.6
151.07532	2.4
151.11174	6.0
155.08646	4.6
157.08748	4.2
157.10120	20.5
159.08109	3.7
159.11693	10.6
161.09625	7.3
161.13182	3.0
163.11180	8.3
165.09138	2.9
165.12761	5.7
169.10126	2.9
169.12297	2.7
171.06595	2.1
171.11696	6.1
173.04507	4.1
173.09685	3.8
173.11853	3.0
173.13306	4.3
175.11192	17.2
177.12775	5.3
179.10611	2.3
181.12247	2.8
184.07494	2.3
185.13223	4.6
187.11205	3.4
187.13255	3.3
189.05568	2.3
189.11264	4.1
193.12230	38.0
194.13091	2.7
195.11899	2.3
195.13843	6.8
199.13275	4.5
203.14262	2.6
209.11649	3.9
210.12477	1.8
211.13290	43.7
217.15886	5.7
223.13409	2.4
227.12794	7.5
229.14337	4.9
230.24779	3.1
233.15439	2.5
243.15929	4.7
253.14343	3.6
255.15808	3.9
261.18466	3.9
267.15884	27.8
268.16748	7.5
269.17468	24.8
273.18500	24.0
275.20096	3.3
279.15652	2.3
283.15396	7.2
285.16959	30.9
289.18085	3.5
291.19550	9.9
301.16458	20.1
318.90430	2.0
337.51337	2.1
347.22144	5.9
349.23691	3.0
365.23303	5.0
435.27512	2.2
437.25403	5.5
439.26755	4.7
460.28226	8.7
461.29117	9.6
478.29181	5.7
479.30145	18.9
495.29462	6.5
557.34711	5.9
573.34094	8.2
575.35431	4.8
591.34991	7.3
623.34094	2.6
778.61670	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	17.1
61.02925	4.8
65.03922	4.4
67.05509	81.5
69.03416	7.8
69.07083	15.3
71.04990	8.6
71.55062	4.1
77.92065	2.3
79.05495	49.0
81.03423	74.9
81.06598	4.3
81.07060	64.5
83.01317	3.7
83.04987	21.1
83.08625	27.8
85.02903	11.8
85.06522	6.6
91.05481	63.8
93.07044	50.6
95.04971	37.4
95.08617	30.5
97.02890	8.6
97.06551	9.8
97.10181	9.4
99.04441	4.7
105.07036	53.0
107.04938	13.1
107.08599	45.5
109.06551	13.6
109.10156	64.2
111.04453	6.5
111.08078	8.6
117.07036	12.8
119.08575	26.7
121.06510	11.2
121.10130	17.7
123.08070	7.6
123.11671	7.6
125.09638	8.0
127.03928	3.0
129.06975	11.3
131.08572	16.9
133.06493	8.5
133.10130	64.0
135.08063	7.2
135.11699	18.9
137.09598	5.0
141.06961	4.7
142.07813	3.8
143.08525	4.1
145.06412	4.2
145.10068	14.6
147.08046	6.3
147.11685	10.9
149.09612	8.3
151.11201	27.6
153.12685	4.5
157.10185	11.7
159.08078	3.5
159.11627	3.9
161.09619	7.1
163.11157	22.9
173.09576	3.9
173.11749	7.0
175.11157	10.7
179.10654	4.4
181.12181	5.2
183.11780	3.6
185.13292	3.9
193.12268	19.9
199.13261	3.6
209.11743	10.0
211.13252	2.9
227.12703	17.0
229.14368	30.2
245.19028	3.7
253.14366	100.0
263.20056	4.8
267.15903	58.0
272.52930	3.4
273.18475	17.1
283.12430	4.5
283.15387	48.4
287.20059	8.6
291.19580	24.0
296.03085	3.0
301.16672	3.6
311.07492	2.6
347.22159	7.8
365.23270	34.4
399.23727	8.8
437.25479	12.9
445.25870	20.5
463.27017	24.4
483.31067	3.8
506.21768	2.8
539.33545	17.2
557.34760	98.2
558.34760	3.9
573.10828	3.1
575.35419	6.5
607.34283	13.1
738.74792	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	804.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.7
59.04993	1.0
65.03919	1.3
65.18103	0.8
67.05502	23.7
69.03430	7.6
69.06729	1.3
69.07068	17.8
69.46858	5.1
71.01356	0.7
71.04997	2.3
79.05489	22.4
81.03412	52.6
81.06584	1.8
81.07050	23.8
83.04977	5.8
83.08613	14.2
85.02902	1.7
85.06545	1.4
91.05477	20.1
93.07037	17.9
95.04969	20.9
95.08605	11.3
97.02882	9.2
97.06516	4.9
97.10169	12.1
98.11127	0.8
99.08079	1.2
99.87136	0.7
103.05459	1.4
105.07029	16.3
107.01345	0.7
107.04957	8.3
107.08591	12.1
109.06499	5.5
109.10154	10.5
111.04410	1.8
111.08093	6.6
115.05432	1.5
117.07010	6.2
119.04919	1.3
119.08573	18.8
121.06494	5.2
121.10133	7.3
123.04465	1.1
123.08058	3.6
123.11746	1.1
125.09612	8.9
128.08188	0.9
129.07013	8.1
131.08563	10.9
133.06476	3.5
133.10136	8.8
135.08051	3.3
135.11688	3.6
137.09604	2.3
142.07790	1.7
143.08531	2.8
145.06526	1.3
145.10097	7.4
147.08049	6.4
147.11687	6.8
149.09602	5.0
149.13232	1.3
150.48354	0.8
151.11122	1.3
153.09081	1.3
157.10115	7.9
159.07994	1.0
159.11699	3.1
161.09622	2.9
163.11145	4.1
165.12749	1.5
173.09619	2.0
173.13252	0.9
175.11151	6.9
175.14742	0.9
177.12794	1.8
181.12166	0.8
185.13393	1.0
189.11215	3.3
193.12234	13.3
205.12216	2.5
211.13298	1.2
219.13780	3.5
223.13268	13.8
227.12764	7.6
229.14351	2.0
245.19000	1.0
249.14879	3.7
253.14449	2.2
267.15900	70.3
273.15610	1.3
273.18466	8.9
283.15359	4.5
291.19528	61.9
292.19635	0.9
313.21631	1.4
347.22125	1.6
365.23227	40.6
385.23807	1.2
399.23682	1.1
413.55087	0.9
437.25171	1.9
445.25745	4.4
459.27240	6.9
463.26465	1.7
477.28513	3.9
539.33521	6.5
557.34717	100.0
558.35028	2.8
575.35742	2.2
599.35266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08684	2.2
57.03436	20.0
57.07078	47.5
61.02917	2.1
63.95583	2.1
65.03951	2.1
66.08402	2.1
67.05505	56.2
69.03432	10.8
69.07077	27.2
71.04996	4.1
71.08633	37.1
71.54910	2.6
73.02921	2.3
79.05077	3.0
79.05495	38.1
81.03413	9.4
81.07060	65.7
83.04979	9.1
83.08616	20.4
85.02895	7.2
85.06531	3.8
85.10185	18.2
86.09219	2.2
86.09725	3.6
89.06031	3.1
91.05479	26.1
93.07041	40.5
95.04962	9.1
95.08607	44.7
97.02909	5.2
97.06516	10.5
97.10146	12.6
99.08089	5.4
105.07019	22.4
107.04956	7.3
107.08607	25.3
109.06519	5.6
109.10165	19.8
111.04442	3.4
111.08080	4.4
117.07008	13.2
119.08589	20.2
121.10113	12.0
123.08041	3.1
123.11714	6.0
125.09664	2.9
129.05493	2.2
129.07007	6.5
131.08601	18.4
133.10138	14.8
135.08038	3.0
135.11684	12.4
137.09641	3.6
137.13261	2.2
145.10127	10.2
147.11693	8.2
149.09595	12.3
149.12175	2.1
149.13225	11.7
155.08636	2.6
157.10132	2.9
159.11729	7.8
163.11194	5.4
173.09621	2.6
173.13235	4.2
177.12701	3.9
181.12183	3.2
184.07350	9.4
195.13741	5.7
207.34279	2.2
211.55240	2.3
227.12662	3.2
229.14302	2.7
239.23668	3.8
255.15910	16.8
257.18900	7.7
269.17453	37.4
275.20056	24.1
293.17670	2.6
293.21161	3.6
313.27362	100.0
349.23712	27.5
413.21796	2.4
419.23953	2.2
493.38684	21.3
507.40430	83.2
508.40402	3.0
547.43250	4.8
582.28845	2.9
587.46790	32.6
605.47601	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	804.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	21.2
57.07052	1.8
59.05001	7.1
61.02937	5.2
65.03925	3.2
67.05505	73.6
69.03430	5.5
69.06739	0.9
69.07072	12.6
69.75993	1.6
69.76407	2.1
71.01358	3.5
71.04993	6.7
71.08620	1.4
73.02897	2.6
77.03954	1.0
79.05495	35.6
81.03419	22.1
81.07055	36.8
83.01337	8.8
83.04981	17.0
83.08164	1.3
83.08620	22.3
85.02906	16.7
85.06525	2.6
87.04467	5.0
91.03944	2.3
91.05482	23.1
93.07044	31.8
95.04963	9.6
95.08604	17.8
97.02888	8.6
97.06535	8.2
97.10169	15.7
98.21499	1.4
99.04457	2.3
99.08098	1.3
103.03944	1.5
105.07030	12.4
107.04958	10.9
107.07879	1.3
107.08591	22.6
109.02852	1.1
109.06516	9.1
109.10157	53.4
111.04424	4.0
111.08092	5.0
111.11749	0.9
113.09601	0.8
117.07018	10.3
119.08582	16.3
121.06548	4.4
121.10152	11.3
123.04459	1.0
123.08073	9.0
123.11703	0.9
125.06021	1.1
125.09631	15.3
127.03917	0.9
128.06245	1.0
129.05463	2.3
129.07022	1.6
130.07787	1.3
131.08565	5.3
133.10118	2.6
135.08047	3.0
135.10709	1.2
135.11699	17.3
137.09598	4.7
143.08562	1.0
143.10674	2.5
145.06508	1.7
145.10123	20.4
147.08018	3.7
147.11710	1.8
149.09593	2.7
151.11147	0.8
153.12727	6.5
155.08528	2.2
155.10632	3.8
157.10080	0.8
163.11177	34.5
173.09570	5.3
173.11728	12.2
181.12199	6.4
184.07352	0.9
191.10674	6.8
193.12289	2.3
199.13298	6.5
204.22385	0.9
209.11745	16.8
211.13268	1.7
227.12761	12.4
229.14349	46.1
231.49915	0.9
242.10529	0.7
257.13742	1.0
265.14261	1.5
267.15884	3.7
283.15399	100.0
284.15674	1.5
301.16476	14.5
311.14938	2.2
383.22015	1.0
399.23782	13.6
407.24136	4.0
425.25208	6.4
437.25348	44.5
438.25266	1.0
475.26624	2.0
491.26407	3.0
493.27725	1.8
509.27414	10.9
527.28558	3.4
607.34772	28.7
608.34644	0.9
627.46454	1.0
649.56415	0.9
656.80487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	9.2
61.02916	3.8
64.49544	1.1
64.95808	1.1
65.03937	2.2
67.05505	23.7
69.03086	1.7
69.03424	20.3
69.07064	6.4
70.06585	1.2
71.01350	1.9
71.04978	7.3
71.55724	1.6
73.02911	2.1
75.03115	1.2
79.05077	1.6
79.05496	24.1
81.03419	100.0
81.06599	1.7
81.07058	26.9
83.04975	24.0
83.08620	21.4
85.02909	23.8
85.06520	3.0
91.05485	31.1
93.07050	18.0
95.04969	30.8
95.08591	9.8
97.02302	1.9
97.02889	24.5
97.06531	9.1
97.10170	7.6
98.97575	1.3
99.04449	6.7
99.08073	1.8
103.03902	1.3
103.05453	1.5
105.07033	25.4
107.04945	8.2
107.08585	10.0
109.02888	15.4
109.06502	5.5
109.10152	6.2
111.04443	12.1
111.08081	13.9
113.05972	2.4
115.15926	1.1
117.07002	7.3
119.04916	1.5
119.08585	19.7
121.02857	1.5
121.06506	5.5
121.10144	10.2
123.04427	3.2
123.08057	2.6
123.11684	3.4
125.02312	1.8
125.05993	1.4
125.09631	5.1
127.03907	17.6
128.06184	1.5
129.05457	3.4
129.07028	10.8
131.04897	3.2
131.08548	12.1
133.06459	3.7
133.10149	10.6
135.08089	2.3
135.11687	1.8
137.06004	2.1
137.09604	3.2
141.07028	1.7
142.07761	1.3
143.08548	2.0
145.04897	1.5
145.06482	2.9
145.10141	6.8
147.04422	3.5
147.08023	3.3
147.11687	22.7
149.05942	2.4
149.09604	5.6
149.13266	2.0
151.03882	1.5
151.07504	1.4
153.12712	2.3
155.08510	1.7
157.06473	1.5
157.10129	15.0
157.13205	1.4
159.08022	2.9
159.11713	1.6
161.05930	1.4
161.09590	1.7
163.03870	3.5
163.11163	5.7
165.12730	4.5
169.10089	1.5
171.11748	1.4
173.04469	9.4
173.05765	2.0
175.11180	12.1
181.12215	5.0
185.13309	1.5
187.11116	1.8
189.05415	2.5
189.11145	1.4
191.10712	2.1
193.10463	2.2
193.12245	43.2
211.13295	58.0
227.12772	5.0
229.14406	6.7
235.13246	1.4
249.14874	2.4
253.07060	1.4
255.13773	2.2
267.09048	4.6
267.15930	28.5
273.14828	4.0
285.10263	5.6
285.16980	27.5
285.19809	0.8
301.14206	4.5
319.15277	3.0
334.24789	1.3
337.16406	4.5
355.17621	7.1
366.07315	1.4
367.22711	1.7
375.17984	3.7
385.23575	2.1
393.18927	3.8
411.20322	6.5
429.21320	14.1
433.25583	1.4
438.18256	4.9
438.68512	7.1
441.26416	2.3
459.27542	16.0
477.28464	24.6
495.29575	16.2
501.28519	1.8
519.29419	1.6
557.31201	1.6
561.30261	2.2
567.29382	1.8
573.30792	2.0
585.30621	8.5
603.31519	9.1
621.32666	19.4
639.33612	32.1
747.35614	2.1
765.37292	2.7
783.38000	11.5
801.43237	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.06116	1.9
61.02927	6.2
66.41693	0.7
67.05505	5.8
69.03411	4.2
69.07062	1.6
71.55991	1.2
73.02898	4.7
75.85701	0.8
79.05484	2.7
80.82950	0.7
81.03419	1.5
81.07052	6.0
83.08622	1.7
85.02916	8.5
91.03958	4.7
91.05495	1.5
93.07047	3.4
95.08598	5.0
97.02895	4.9
99.04442	1.2
101.02396	2.0
101.07132	1.8
105.07047	1.8
107.08602	2.3
109.10176	2.0
113.19492	0.7
115.03046	0.7
121.10177	1.4
127.03967	1.8
133.10103	0.8
190.58145	0.7
201.64392	0.8
240.09612	0.8
243.08440	2.2
288.56363	1.0
519.29285	6.6
521.30719	5.4
543.52057	0.8
799.53271	100.0
800.53436	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	799.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.5
57.03440	12.3
57.07064	1.6
59.05000	1.9
60.93121	1.1
61.02924	4.4
64.13053	1.1
65.03947	1.2
67.05508	25.4
69.03435	37.3
69.07076	6.7
69.45631	1.9
69.46042	6.3
71.01334	1.2
71.04996	10.8
73.02905	3.1
77.98830	1.0
78.57692	1.1
79.05495	26.0
81.03421	100.0
81.07057	26.8
83.01344	1.9
83.04983	24.7
83.08620	21.2
85.02911	24.2
85.06533	2.8
87.04460	1.5
89.73553	1.1
91.03961	3.5
91.05486	27.5
93.03373	1.2
93.07046	24.7
95.04971	19.3
95.08607	11.3
97.02898	30.7
97.06545	7.9
97.10181	8.2
98.97676	1.1
99.00815	1.7
99.04457	11.1
99.17113	1.2
101.02394	1.7
103.03989	1.2
105.07036	21.2
107.04944	12.4
107.08590	14.3
109.02884	25.6
109.06555	6.8
109.10165	5.2
111.04448	20.6
111.08091	9.8
115.03968	1.9
115.05444	3.1
116.98598	1.2
117.07000	7.1
119.04940	2.2
119.08581	14.8
121.06513	4.8
121.10126	11.8
123.04437	3.8
123.08060	4.7
123.11700	2.0
125.05963	1.5
125.09629	7.1
127.03925	26.4
129.05478	3.8
129.07007	7.5
131.04906	1.9
131.08527	8.0
133.06496	3.6
133.10152	6.8
133.10963	1.1
135.04373	1.3
135.08070	1.9
135.11688	10.3
137.02350	2.0
137.05969	1.7
137.09628	2.2
141.01888	1.3
141.06995	1.6
143.08606	2.6
145.04987	1.5
145.06454	3.4
145.10132	13.5
147.04395	4.8
147.08051	3.4
147.11685	9.0
149.06013	2.7
149.09590	5.9
151.03940	1.1
153.12738	14.8
155.08585	1.3
157.10115	8.1
158.99652	1.3
159.11703	1.2
161.05988	2.8
161.09613	2.0
163.03920	2.7
163.11177	17.6
165.12750	3.0
173.04462	11.3
173.05981	3.0
173.09599	6.2
173.89558	1.2
175.03897	1.4
175.11139	7.4
177.05540	1.6
181.12236	14.5
183.06490	2.8
185.13284	1.4
189.05495	3.2
189.09048	1.8
189.11223	3.3
191.10681	10.6
191.87477	1.2
193.12244	24.0
209.11655	6.2
211.13289	32.6
217.04977	3.9
227.12772	25.5
229.14268	2.8
231.13788	1.5
241.07222	1.3
249.14964	1.8
253.07124	3.3
255.08928	1.8
265.14337	1.5
267.09100	3.1
267.15948	13.5
271.08112	1.2
273.14905	1.9
282.00073	1.3
283.08759	1.5
283.15482	23.2
285.07217	1.3
285.10080	4.7
285.16901	10.9
289.14255	2.1
301.13995	2.0
315.04980	47.8
316.05396	2.4
317.13763	1.6
319.15063	2.0
323.10608	2.1
323.60486	1.5
324.11441	4.4
329.13718	1.6
335.14575	1.3
337.16565	2.2
353.15912	4.2
355.17642	3.1
375.18146	2.0
383.22293	4.3
385.16348	2.6
391.17709	1.7
393.18991	3.3
401.23242	2.1
409.18631	2.6
411.20126	3.7
427.19678	9.7
429.21106	5.1
436.16891	2.1
437.17249	3.9
437.67673	2.5
446.18195	4.4
454.17761	3.8
457.25763	7.5
475.26855	22.8
477.10297	3.1
493.28006	16.9
509.25665	1.3
511.29016	2.5
517.27563	1.6
583.29095	1.6
601.29895	3.6
612.41333	1.5
619.22076	1.6
619.31067	12.1
637.32190	30.8
781.36340	11.2
799.38190	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	797.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03189	0.6
57.03437	7.3
59.04992	0.4
61.02923	0.6
64.41692	0.4
67.01858	0.9
67.05474	0.8
68.47134	0.4
68.99779	0.7
69.03438	2.7
69.07070	0.6
70.06560	0.5
70.80993	1.1
71.01342	0.9
71.04992	33.2
72.29711	0.4
73.02908	0.8
75.04472	1.6
79.05489	0.6
79.62716	0.5
81.03420	1.5
83.04971	2.1
85.02903	43.4
87.04465	1.6
91.05511	0.6
93.07030	0.7
94.71902	0.6
97.02898	2.7
97.48759	0.5
98.43659	0.4
99.04469	1.4
109.02867	0.7
111.00809	0.6
111.04452	1.9
119.08621	0.6
127.03905	1.4
129.03339	0.7
129.05482	5.1
137.06000	0.5
145.02853	1.6
145.04970	0.9
147.04437	0.6
147.06537	0.9
149.13182	0.4
153.01823	34.2
163.03906	1.7
167.07022	0.7
175.03874	0.7
176.04707	1.6
177.05476	2.3
181.04980	1.1
182.40851	0.4
187.07521	0.4
189.05446	3.3
191.04912	0.6
198.87975	0.4
203.03386	1.9
219.04431	0.7
220.05293	0.6
221.06055	1.7
224.04543	0.7
229.04971	0.9
233.05986	0.6
237.05247	0.7
247.03876	1.7
249.05547	1.6
253.04813	0.6
257.04300	0.7
261.05392	0.9
263.07022	3.8
264.04037	0.8
265.04941	0.8
275.03323	3.1
277.05017	0.7
279.06595	2.4
279.11337	0.8
280.11533	0.8
281.04395	0.5
285.03900	7.8
289.04971	0.7
291.06512	2.4
292.07385	0.7
293.04514	1.6
294.05325	0.6
295.05911	2.0
296.06973	0.8
297.03976	0.9
300.07925	0.5
303.02881	1.6
305.04529	0.9
307.02835	0.8
307.06015	3.3
308.06808	4.9
309.07544	7.2
311.06964	0.8
313.03348	13.2
313.08731	0.5
315.04742	2.4
317.04410	0.7
317.08151	0.6
319.06152	1.1
321.07410	1.0
323.05557	0.9
325.03394	0.9
327.06607	1.7
328.07199	0.9
329.04407	0.6
329.08185	0.8
331.02283	1.7
331.05881	0.8
332.06866	0.6
333.07449	0.5
335.05502	6.9
337.07047	7.1
339.05792	2.0
342.05383	0.6
343.05896	0.7
345.03860	1.3
345.07574	1.3
349.03394	1.0
355.06052	3.7
356.06775	1.9
357.07669	1.8
363.04929	7.9
367.05817	1.0
371.05426	0.6
372.06293	0.8
373.07086	2.8
383.05594	3.4
384.06186	6.5
385.06976	5.6
386.07751	0.5
387.04993	0.7
395.05624	0.9
401.06577	3.8
411.04938	2.2
412.05774	4.7
413.06503	7.9
415.08194	1.2
429.06082	6.9
430.06638	0.6
433.09302	1.0
439.04095	0.6
440.04538	0.7
441.06091	5.9
443.07669	3.2
455.07813	0.6
457.05505	7.3
459.07266	2.9
461.08658	4.1
471.07083	7.1
471.13327	0.4
472.07874	19.4
473.08694	46.6
474.09283	1.2
475.06937	0.6
483.12900	0.7
487.06647	2.0
489.08167	100.0
490.08612	1.8
491.09692	8.7
501.08408	1.5
531.09210	1.7
533.10590	0.7
617.12518	0.6
617.22083	0.5
635.13702	1.2
651.13617	4.6
797.18823	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	797.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
61.02931	0.1
63.02365	0.1
67.01855	0.1
68.99797	0.1
69.03432	0.4
69.45712	0.2
69.46133	0.4
71.04994	3.2
73.02901	0.2
75.02385	0.3
75.04476	0.3
77.03917	0.1
77.90685	0.1
79.05495	0.3
81.03417	0.4
81.07048	0.2
83.04980	0.2
85.02906	4.6
87.04470	0.1
89.03903	0.1
91.05470	0.2
93.07042	0.2
95.04980	0.2
95.08609	0.2
97.02892	0.3
101.03912	0.2
102.04716	0.1
103.05463	0.5
105.07039	0.4
109.02910	0.1
111.04482	0.1
118.04155	0.8
119.04908	0.1
129.03365	15.6
131.04939	1.8
135.04469	0.1
136.06197	0.2
145.02873	0.2
146.03629	0.7
147.04350	0.2
147.06607	0.1
152.05627	0.1
153.01828	3.5
153.03009	0.2
159.04417	0.4
161.05984	5.0
163.03871	0.2
164.50887	0.1
171.11647	0.1
176.04744	0.2
177.05432	0.3
189.05466	100.0
190.05786	1.0
191.05025	0.1
203.03395	0.3
204.04227	0.1
220.05293	0.1
229.04916	0.2
247.03989	0.1
249.05400	0.1
257.04459	0.2
259.09534	0.2
263.07034	0.5
269.04471	0.2
275.03363	0.3
277.04944	0.1
279.06479	0.2
285.03915	0.9
291.06403	0.2
293.04379	0.1
295.05957	0.2
303.02774	0.1
307.05914	0.3
308.06766	0.4
309.04318	0.2
309.07529	0.8
313.03369	1.7
315.05118	0.3
317.04324	0.1
325.03583	0.2
327.06467	0.2
328.07349	0.1
329.07721	0.1
331.02271	0.2
331.05994	0.1
335.05502	0.6
337.06897	0.6
339.06256	0.2
345.03897	0.1
345.07581	0.2
355.05859	0.3
356.06839	0.2
357.07339	0.2
359.05408	0.1
363.05078	1.0
367.05728	0.1
373.06961	0.4
383.05621	0.4
384.06323	0.4
385.07016	0.6
401.06442	0.4
411.04791	0.2
412.05835	0.4
413.06607	0.8
415.08035	0.1
429.06058	0.8
441.06107	0.5
443.07617	0.2
445.08813	0.1
457.05634	0.6
458.06442	0.1
459.06915	0.2
461.08810	0.5
471.06772	0.6
472.01834	0.1
472.07944	1.6
473.08722	4.0
487.06311	0.1
489.08157	11.1
490.08194	0.3
491.09683	1.4
501.08005	0.2
531.09039	0.2
635.13666	0.2
651.13409	0.6
797.19214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
57.07059	0.9
61.02931	5.7
67.05505	4.3
69.03434	4.2
69.07069	1.3
69.57964	0.5
69.87505	1.4
69.87914	1.7
71.01361	1.0
71.05017	0.8
73.02925	4.3
79.05508	3.5
81.03425	4.8
81.07053	3.4
83.04992	1.9
83.08625	1.9
85.02905	7.6
86.09715	1.7
86.78722	0.5
90.26407	0.5
91.03947	3.6
91.05478	3.7
93.07044	4.0
95.04974	2.4
95.08617	1.5
97.02886	5.4
97.06550	0.7
97.10185	0.5
99.04446	1.5
101.02383	2.4
105.07048	1.7
107.04930	0.6
107.08599	2.3
109.02894	1.2
109.10177	1.7
111.08102	0.8
117.07014	0.9
119.08590	1.7
121.10155	1.8
123.11755	0.6
124.99993	1.5
127.03925	1.8
129.05473	1.2
129.07021	0.8
131.08571	1.2
133.10123	2.0
135.11708	1.6
145.10139	0.7
147.11703	1.5
157.10150	0.7
175.11217	1.1
181.04735	1.0
184.07288	5.4
185.04233	2.7
185.07729	1.3
193.12257	2.1
201.03717	1.3
203.05299	0.6
203.38510	0.5
211.13307	1.2
221.11528	1.0
223.13232	0.6
243.08429	4.9
251.12616	2.0
263.12704	0.7
277.14224	1.9
301.08905	9.1
307.15085	0.8
315.10605	2.1
327.10687	0.6
333.20316	1.2
341.12103	0.8
349.16476	1.1
367.17514	1.1
369.15240	0.7
371.17010	0.9
373.11127	2.8
383.16867	1.5
385.18317	4.6
413.18036	1.0
429.17471	1.7
431.24066	0.9
439.19418	5.5
440.96826	0.7
443.18961	3.1
457.20905	0.8
467.19067	0.7
469.20496	18.4
481.20728	2.6
485.19992	2.4
499.21597	2.1
505.28104	0.7
511.21918	1.0
528.21899	2.2
541.22632	5.4
549.27368	0.8
551.28455	1.8
555.24371	0.7
569.27460	0.5
583.30811	0.7
584.28741	0.6
611.30560	2.3
612.31403	1.8
623.30475	1.0
625.32233	0.7
641.31659	3.1
667.33057	13.3
693.38074	1.2
709.33960	18.0
709.46118	1.0
749.40430	1.0
777.40228	3.8
795.41327	100.0
796.42377	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	795.414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
61.02928	4.3
65.03947	0.4
67.05508	4.8
67.85596	0.3
69.03432	3.4
69.07069	2.4
69.21144	1.4
69.21568	1.2
71.01346	0.6
71.05005	1.9
73.02924	3.9
77.03928	0.3
79.05498	3.4
81.03416	3.8
81.07063	4.1
83.04984	1.6
83.08639	1.5
85.02908	7.7
85.06605	0.3
87.10010	0.3
91.03959	2.6
91.05488	4.4
93.07043	4.2
95.04951	1.8
95.08608	2.4
97.02897	4.3
97.06532	3.6
97.10157	0.5
98.21480	0.5
99.04464	0.8
99.08092	0.8
101.02361	1.4
103.03934	0.3
103.62754	0.3
105.07037	2.8
107.04961	0.6
107.08612	2.2
109.02901	0.7
109.06551	0.5
109.10180	0.9
111.04433	0.6
111.08101	0.6
117.07017	0.7
119.08584	3.0
121.10147	1.8
123.08097	0.5
123.11745	0.4
127.03941	1.1
129.07024	0.8
131.08571	1.6
133.10136	2.1
135.11710	1.3
137.05759	0.4
141.01848	0.3
145.10138	1.1
147.11726	2.0
149.09656	0.4
149.13271	0.6
157.10156	0.9
159.11708	0.9
163.11206	0.4
173.13315	0.3
175.11189	0.8
184.07390	0.7
185.04187	0.7
185.13284	0.3
187.14853	0.3
189.72816	0.3
191.17982	2.1
193.12286	1.1
201.03731	0.3
201.16380	0.8
203.05368	0.7
203.18008	0.5
209.78336	0.3
211.13268	0.7
221.11473	0.4
222.71921	0.3
243.08458	3.0
251.12587	0.7
267.16205	0.3
269.12427	0.3
285.16727	0.4
307.15146	0.3
319.18933	0.8
349.19864	6.5
349.23904	0.5
350.20273	0.3
351.21228	0.4
358.55930	0.3
405.22620	1.3
437.34344	0.5
439.19321	1.6
453.20828	1.4
455.35312	1.1
467.19009	1.2
469.20490	7.0
479.22415	0.3
567.27759	5.7
569.29565	0.8
602.39838	0.4
633.36682	0.5
677.52594	0.4
707.04321	0.4
795.41357	100.0
796.41559	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	794.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	17.9
57.07066	9.4
61.02922	4.4
65.03935	4.7
67.05508	99.6
69.03408	3.3
69.07076	35.0
71.05008	3.1
71.54967	3.3
79.05066	4.1
79.05492	44.4
81.06596	5.6
81.07060	100.0
83.04922	2.9
83.08617	18.0
84.86016	2.7
85.02889	5.1
85.07673	5.7
87.04451	9.8
91.05481	33.2
93.07049	54.7
95.04977	4.1
95.08613	84.2
97.06525	4.5
97.10154	7.3
99.08075	3.5
105.07028	20.6
107.08598	31.5
109.06407	3.5
109.10166	31.5
111.11755	3.2
113.09669	2.4
116.70615	2.5
117.06961	5.8
119.08574	21.2
121.10143	30.3
123.11696	15.6
131.08563	8.9
133.10127	16.3
133.10976	2.6
135.11697	17.6
137.13235	6.2
142.13220	2.6
145.10101	8.3
147.11720	12.2
149.13248	13.0
159.11707	5.5
161.13246	8.2
163.14833	6.5
164.08195	3.1
173.13278	6.0
175.14870	5.3
187.14841	3.5
189.16428	3.0
243.21111	7.6
245.22903	5.1
250.29099	2.8
259.20544	7.9
261.22147	24.7
263.23724	7.8
312.02469	3.2
330.82513	2.9
333.24008	5.6
335.25800	89.1
337.27390	88.4
339.28918	5.0
412.53940	3.0
469.82510	2.8
523.45050	4.0
597.48669	34.8
615.49915	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.6
57.03438	3.4
60.08152	0.5
61.02929	4.2
67.05508	6.2
69.03448	3.2
69.07072	2.7
69.52070	0.4
69.96198	0.5
71.01361	0.4
71.05000	2.0
71.55911	0.8
73.02926	4.2
79.05495	4.9
81.03427	5.0
81.07058	5.3
83.04994	1.9
83.08628	1.9
85.02911	5.7
85.06564	0.6
86.09715	1.5
87.04468	0.5
91.03962	2.9
91.05482	5.1
93.07052	5.4
94.81107	0.5
95.04966	2.4
95.08621	2.4
97.02906	4.7
97.06527	3.7
97.10201	1.2
99.04455	0.7
101.02392	1.9
105.07073	2.7
107.04955	1.0
107.08585	3.3
109.02914	0.8
109.06544	1.7
109.10175	1.9
111.04424	0.7
111.08115	0.9
115.03931	0.7
117.07045	1.2
119.08590	2.1
121.10179	1.7
123.08089	0.8
125.00020	1.4
127.03941	1.9
129.05475	0.4
129.07025	1.0
131.08609	1.8
133.10168	1.9
134.10516	0.5
135.08031	0.4
135.11708	1.9
137.26199	0.4
143.08565	0.6
143.19502	0.4
145.10138	2.1
147.08006	0.5
147.11674	1.1
149.09651	0.9
157.10149	0.7
159.11777	0.6
160.11966	0.4
163.11221	1.4
173.09613	0.6
173.11891	0.6
173.13446	0.4
175.11276	0.5
177.12988	0.5
184.07349	5.1
185.07787	0.5
193.12265	1.0
203.05267	0.7
227.12703	0.5
229.14362	0.5
243.08501	2.3
251.12717	0.6
267.16025	1.4
268.16052	0.6
283.15445	1.0
285.16879	0.5
291.19513	0.6
301.09094	1.1
349.19858	4.8
351.18356	1.0
357.15552	0.6
405.22461	0.8
407.21292	0.5
413.17862	1.1
439.19458	1.5
453.20972	0.7
461.29309	0.7
462.29617	1.0
467.18927	6.4
469.20569	3.2
483.18839	0.6
542.35541	0.6
560.36865	0.6
567.27917	4.5
618.11530	0.5
641.31787	4.5
775.38599	1.5
776.39032	0.6
793.39777	100.0
794.40076	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	793.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.8
55.05515	2.7
57.03454	1.6
58.89827	1.3
61.02914	1.4
61.18588	1.1
67.05511	3.5
69.03436	4.1
69.07063	7.2
69.25912	1.8
69.26314	10.3
72.37859	1.3
73.02895	2.4
79.05477	2.9
81.03432	7.0
81.07063	4.2
83.08618	2.0
84.08162	1.6
85.02901	4.6
89.03911	1.6
91.05486	4.6
93.07049	2.1
94.06591	5.9
95.04955	2.1
95.08540	1.9
96.08144	1.6
97.02917	3.4
97.06530	2.8
98.97598	1.3
100.11260	5.7
105.07049	2.1
107.08611	2.6
108.08116	3.9
109.02885	2.0
110.05978	1.6
111.04463	2.3
118.06538	1.5
119.08585	3.2
120.08156	1.4
122.06041	26.0
123.04473	1.3
124.07622	1.3
127.03900	1.3
128.07065	1.8
129.06978	1.6
131.08560	1.5
133.10094	1.7
134.05994	2.8
135.04472	1.9
136.06183	6.8
136.07600	1.6
137.05942	2.2
140.07072	32.2
144.04454	2.1
145.02824	1.6
146.06015	15.9
147.04414	1.6
147.06790	1.4
148.07556	7.2
158.08359	1.2
162.05460	3.1
162.09026	1.4
163.03932	2.5
163.06335	1.7
167.07114	3.6
172.03955	15.4
173.04620	1.4
173.99980	1.3
174.05521	22.6
176.07034	8.3
177.05428	2.5
182.09724	2.5
182.15344	2.8
184.09952	1.7
190.04996	6.7
191.05669	1.7
197.10759	4.2
199.08751	1.8
199.12321	5.3
204.06586	25.3
206.08095	7.0
207.20844	1.4
209.10767	1.3
209.16554	1.5
210.09254	2.2
210.11574	1.3
210.14954	3.0
211.08710	6.3
212.09477	3.7
223.08679	1.8
224.09303	1.6
225.10307	13.4
226.10931	3.7
227.11775	44.5
227.13969	2.5
230.08105	1.5
237.10239	7.7
238.10970	2.6
239.11859	7.3
240.10233	1.5
240.12518	2.1
241.13307	2.9
249.10226	4.5
251.11752	6.1
252.12506	1.6
253.09738	6.2
253.13498	2.1
255.11229	3.0
261.12311	1.7
263.08237	3.5
263.11768	3.1
264.08884	1.9
265.09781	12.0
265.12527	1.8
266.10675	2.1
267.11264	5.3
269.12863	20.0
270.10107	1.6
271.10791	9.7
277.09744	5.0
278.10281	1.8
279.11176	6.6
280.12161	2.0
281.13000	1.8
283.10733	4.5
284.11649	2.1
285.09680	2.2
285.12549	8.8
287.13809	12.8
289.13525	1.7
291.11157	2.6
293.12704	2.1
295.10779	4.7
297.12344	7.0
298.13208	1.8
299.14023	3.5
300.11707	2.3
301.12149	4.1
302.12878	1.9
305.09100	2.9
312.14984	2.8
313.11780	15.5
314.12845	4.2
315.13971	2.8
316.14493	5.0
317.15237	2.5
319.10745	1.9
325.11896	1.8
326.16550	1.9
327.13757	2.0
327.17465	2.0
328.11084	2.0
328.14514	8.2
329.11658	2.9
329.15143	12.9
330.12311	4.8
330.15991	9.1
331.13004	5.2
331.16815	11.1
332.17548	4.2
339.13583	2.8
340.14609	3.0
341.12234	2.4
342.12421	14.1
342.16147	5.1
343.13220	7.3
343.16919	1.8
344.13797	5.7
344.17624	9.0
345.14499	16.0
346.15488	2.1
353.15283	1.7
354.15964	3.4
355.13879	4.7
356.13907	11.7
356.17761	2.6
357.14728	10.4
358.15485	22.6
358.19553	1.8
359.16293	2.6
360.16989	2.3
366.15982	2.4
367.13123	2.2
368.13950	2.0
369.10803	2.7
369.14828	3.5
370.11966	1.7
370.15652	13.3
371.16232	4.7
372.17169	13.5
374.18771	2.7
380.13940	2.9
381.14941	1.9
382.11374	7.7
382.15674	4.0
383.12790	5.2
384.13351	30.2
385.13867	7.5
386.14691	11.1
386.18906	3.3
388.16516	3.0
390.17938	1.9
392.19656	1.6
394.15402	3.3
395.16177	8.2
396.17105	4.1
397.14020	2.8
398.14951	44.5
398.20123	2.5
399.15805	52.7
400.16544	75.6
401.16968	2.8
411.15573	1.5
412.16623	4.8
413.17023	15.9
414.18329	8.4
416.19943	2.0
417.16318	3.0
418.17813	6.8
430.17572	3.9
431.18222	20.7
432.19238	5.9
434.20901	1.6
440.16037	9.7
441.16708	3.9
442.17725	3.0
449.19186	6.8
456.19302	1.4
458.16800	9.0
459.17703	4.4
460.18536	5.1
474.20279	2.1
476.20871	1.8
492.20865	2.0
498.20038	1.7
500.17883	6.5
501.18741	1.9
502.19815	1.7
516.21252	3.3
519.20190	2.4
520.20483	1.9
534.22009	3.8
539.22992	2.0
540.21570	1.9
544.20923	2.0
552.23785	2.0
557.22345	1.8
558.22382	2.7
559.22711	1.8
560.20422	7.4
561.21021	4.2
562.21948	3.4
566.19922	2.5
575.22522	1.5
576.23297	5.8
579.22119	2.9
580.22766	2.3
581.23138	3.2
584.20264	5.9
585.20026	2.1
599.25104	12.3
602.21472	22.1
603.22095	14.9
604.22461	4.9
615.27625	2.3
620.13074	2.4
620.22437	30.3
621.23206	15.1
622.23547	3.9
631.27039	3.1
634.24103	2.6
635.23914	2.0
641.26062	7.4
652.24530	5.3
653.25525	4.8
673.27789	1.6
681.28912	6.8
689.25647	3.1
699.29968	5.4
701.28033	2.0
707.27069	14.0
717.31238	9.2
725.28125	23.0
743.29193	99.2
744.28851	4.5
757.29932	2.4
761.30280	100.0
762.29974	4.9
775.31757	16.6
793.10077	2.8
793.32178	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	791.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
56.96550	1.7
57.03426	2.3
65.03940	4.2
67.05499	5.5
69.03435	17.0
71.01361	2.0
71.05001	4.1
71.54008	1.5
73.02908	2.6
79.05498	6.7
81.03432	9.8
81.07068	2.1
83.04990	7.7
85.02913	16.8
87.04468	2.6
91.05483	25.6
93.03407	4.6
93.07059	2.5
95.01326	1.8
95.04983	11.3
97.02897	12.6
97.06565	1.3
98.97582	3.7
99.04475	3.5
103.05494	3.0
105.03409	5.4
105.07035	3.1
107.04968	4.8
109.02885	12.2
109.06531	2.9
110.97566	1.4
111.04440	12.1
116.98594	1.9
117.07083	1.8
119.04948	34.6
121.02885	18.7
121.06577	2.4
123.04440	11.6
125.02358	14.1
127.03933	11.3
129.03343	2.6
129.05530	2.0
129.06975	1.7
131.04939	2.8
133.06483	1.8
135.04414	8.1
137.05986	4.4
139.03912	100.0
140.04184	1.8
141.06972	1.4
145.02863	4.3
145.04964	4.5
147.04419	45.0
147.05539	2.7
149.02347	17.5
149.05981	5.3
150.57085	1.4
151.03931	2.1
151.07536	2.5
153.05469	6.3
158.99658	2.4
159.04456	2.9
161.05995	2.7
163.03902	9.6
163.07460	1.2
165.05482	14.9
165.06769	1.8
167.03438	7.5
167.07068	2.0
169.06462	2.4
173.05925	2.5
175.03923	38.5
177.05467	10.6
179.03423	3.6
179.07115	6.1
181.04971	67.8
189.05476	20.4
191.03461	2.7
191.07095	4.5
193.04988	25.2
195.06621	2.5
201.05560	1.5
203.07120	1.7
205.05023	5.3
207.06552	32.0
209.08301	1.3
211.06027	5.8
213.05466	1.5
219.01814	4.8
223.06049	4.5
225.05513	2.2
225.07526	25.0
235.05890	2.3
237.02835	2.8
241.07210	2.7
243.08673	5.4
253.06987	1.8
259.05988	1.4
267.08551	1.7
285.07593	4.7
287.08871	1.5
301.07083	1.5
303.08667	2.9
312.07733	2.0
319.08057	3.0
321.09735	2.2
325.09177	3.7
329.10205	1.8
333.09714	1.8
335.11560	1.5
337.09271	10.0
351.10794	6.7
355.10172	11.5
369.11798	5.4
371.13293	1.5
377.01718	1.5
387.11505	1.9
387.16400	1.7
405.11633	7.4
417.11630	2.3
424.61411	4.2
425.11520	3.9
425.61740	2.7
426.11194	2.0
447.12485	1.8
513.14777	1.5
531.14886	5.3
549.16003	16.6
561.15912	4.1
567.17065	14.2
575.17651	2.0
593.18121	1.8
611.20160	1.3
711.21356	1.9
729.22333	9.8
791.26526	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.2
55.05515	33.4
57.03159	2.1
57.03440	31.2
59.05006	1.3
61.02933	8.0
65.03941	6.2
66.28973	1.3
67.05508	83.8
69.03432	23.4
69.07072	56.3
71.04996	27.5
73.02931	6.9
73.06493	1.5
79.05495	80.8
81.02924	2.9
81.03420	72.1
81.07060	89.7
83.04492	2.2
83.04980	29.6
83.07206	1.3
83.08619	28.6
85.02907	33.4
85.06523	7.2
91.03964	2.5
91.05483	86.4
93.07047	73.4
94.90324	1.4
95.04372	2.4
95.04969	38.3
95.08607	41.8
97.02895	14.5
97.06535	100.0
97.10156	8.6
98.20682	2.1
99.04459	5.9
99.08109	8.5
103.05462	2.5
105.07034	59.3
107.04961	22.1
107.08595	37.0
109.02854	4.9
109.06512	24.6
109.10145	19.0
111.04441	5.3
111.08089	17.7
113.05987	3.8
115.05470	4.8
115.07567	24.9
117.07006	23.2
119.04922	2.7
119.08587	41.9
121.06516	10.7
121.10159	23.3
123.04398	2.2
123.08064	11.6
123.11693	6.2
125.05999	1.5
125.09638	5.7
127.03924	8.3
127.07574	4.5
128.06241	5.0
129.05539	2.8
129.07011	21.4
131.08568	36.3
133.06485	9.8
133.10127	35.1
135.08061	16.0
135.11700	16.2
137.09621	5.1
142.07817	2.9
143.08549	10.1
145.04980	1.6
145.06473	3.3
145.10124	19.5
145.24612	1.4
147.08063	11.5
147.11682	19.8
149.09634	13.6
149.13275	10.6
151.11180	4.9
153.09047	1.8
153.12729	1.5
155.08601	3.9
157.10130	22.7
159.08063	2.8
159.11696	11.9
161.09607	10.4
161.13231	2.4
163.07605	1.5
163.11182	10.8
165.09204	1.5
165.12759	4.1
167.08607	2.2
169.10075	3.8
171.11699	5.5
173.04480	8.5
173.09618	2.9
173.11775	1.9
173.13243	3.0
175.11211	20.0
177.12769	5.8
179.10677	2.6
181.10106	2.3
181.12230	2.6
183.11703	4.2
184.07436	3.5
185.13135	2.1
187.11082	2.4
187.14841	2.2
189.11180	2.3
189.12733	2.9
191.10616	3.6
193.12245	43.2
195.11697	2.1
195.13844	5.8
197.13304	1.4
199.11104	2.5
199.14813	5.3
201.07590	3.2
201.12764	2.9
203.14297	2.1
209.13313	1.8
211.13281	62.1
211.15268	3.0
217.15887	11.9
219.13782	2.1
221.15413	3.3
227.12735	7.1
227.17928	3.5
229.14374	2.9
233.15359	5.2
241.10744	2.0
245.19069	4.6
249.14905	3.7
253.14323	4.7
255.15657	2.2
255.17763	2.4
257.19116	1.9
263.19879	2.4
267.09097	1.8
267.15924	26.3
269.17484	27.9
273.18521	37.5
275.20059	9.1
283.15402	19.1
285.10275	3.3
285.16968	58.4
291.19565	24.7
293.21057	1.8
307.19037	3.9
309.20432	1.6
341.19827	1.7
347.22195	13.2
349.23621	5.0
365.23230	12.8
367.24768	2.5
383.24207	3.1
437.25488	6.6
443.28043	1.9
447.28247	3.3
461.29080	11.6
465.29190	5.3
477.28476	16.1
479.23373	1.6
479.29971	33.3
482.69345	1.6
483.30518	2.3
499.30728	2.8
505.31311	1.7
507.29434	2.8
517.31281	4.7
539.33490	6.6
557.34802	28.8
575.35834	25.2
593.36725	8.6
790.41071	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05535	0.3
56.96563	0.4
60.78915	0.4
63.49909	0.4
64.33499	0.3
65.03936	1.5
67.05523	0.6
69.03438	2.0
69.07084	0.5
69.37418	0.3
69.40623	2.9
70.06591	0.6
71.04997	0.5
71.16972	0.4
73.10497	0.4
74.03763	0.4
77.03934	0.6
79.05494	1.0
81.03425	2.8
83.04962	0.7
85.02914	2.1
89.03902	0.4
91.05488	19.4
92.41586	0.4
95.04982	0.5
95.08604	0.7
97.02886	1.1
97.06512	0.7
103.05456	0.7
105.03426	0.4
105.07043	1.0
107.04951	1.6
109.02867	1.1
111.04415	1.3
113.11623	0.4
115.05434	0.9
117.03416	0.5
117.07027	1.3
119.04953	28.6
121.02912	0.5
121.06503	0.9
127.03875	0.6
128.06232	1.5
129.07011	4.2
131.04907	0.7
131.08575	3.7
132.02095	1.2
132.05757	0.4
133.06479	1.1
133.10159	0.7
135.04437	0.6
136.05254	0.7
137.06036	0.6
141.07005	1.5
142.07849	0.5
143.08575	1.2
144.05685	1.4
145.02882	1.1
145.06480	2.6
146.07297	0.6
147.04422	24.8
149.02330	1.0
149.05948	0.4
153.07033	0.6
157.03983	2.5
157.05266	0.3
157.06482	2.0
158.07254	1.2
159.08046	7.1
159.76257	0.4
161.05986	0.8
161.09608	1.5
163.03902	1.0
164.04704	0.8
165.05458	0.4
167.07069	3.4
169.06406	0.5
170.07318	1.4
171.08087	2.0
172.05232	0.5
173.06026	1.1
173.09549	0.6
174.06776	0.5
175.03918	48.4
176.04282	0.9
177.05499	1.4
179.07008	2.0
181.05020	0.6
181.08629	1.5
187.07562	5.2
189.05511	1.2
189.09117	2.9
190.06088	0.4
192.04176	1.1
193.08681	0.8
199.07608	1.0
201.09074	1.0
203.06976	1.0
204.07826	2.6
205.08578	0.6
206.09473	0.9
207.06540	100.0
208.06902	1.5
216.07779	0.8
218.09300	0.6
219.10159	1.4
221.11774	1.5
225.07611	1.5
231.10199	2.8
233.11746	4.5
249.11241	78.3
250.11568	1.5
251.12704	0.9
267.12277	0.9
351.10736	2.3
368.02390	0.4
369.11768	5.8
385.11374	1.4
385.16458	1.6
455.17169	5.3
789.28638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	18.7
55.05511	40.1
57.03435	28.9
57.07056	2.9
59.04994	4.3
61.02913	7.0
64.85787	1.5
65.03930	6.1
66.70222	1.9
67.05506	83.1
69.03424	23.7
69.07067	52.3
69.53053	12.9
71.01347	2.9
71.04993	23.6
73.02907	6.6
77.03909	2.0
79.05493	100.0
81.03418	47.1
81.07056	78.6
83.01337	7.0
83.04984	27.6
83.08618	26.8
85.02905	22.7
85.06531	8.6
91.05484	83.2
93.07044	80.6
93.07641	3.7
95.04973	35.0
95.08605	38.9
97.02890	17.5
97.06534	96.0
97.10180	11.6
99.04449	7.3
99.08077	6.2
101.06004	1.9
101.90453	1.8
103.05434	3.0
105.07028	56.2
107.04951	22.1
107.08599	52.0
109.02863	6.6
109.06513	26.7
109.10159	19.0
111.04433	7.6
111.08080	14.3
113.05988	5.4
115.05457	6.9
115.07566	23.7
117.07021	32.7
119.04903	2.5
119.08575	46.7
121.06490	14.5
121.10148	21.8
123.04451	4.5
123.08090	15.3
123.11704	6.7
125.05972	4.0
125.09623	11.5
127.03928	10.1
127.07555	2.4
128.06230	5.1
129.05452	4.7
129.07002	15.9
130.07742	2.2
131.08578	32.1
133.06485	5.9
133.09126	2.7
133.10117	38.2
135.08049	21.6
135.11681	19.9
137.05998	2.6
137.09622	5.4
139.07549	2.1
141.07047	2.7
142.07767	2.1
143.08562	12.8
145.04926	2.0
145.06477	6.6
145.10107	30.3
147.08037	14.7
147.11699	11.2
149.09595	11.4
149.13260	7.6
151.07465	1.7
151.11209	11.8
153.12689	2.9
155.08505	5.2
157.10110	13.3
159.08032	5.8
159.11710	12.0
159.86685	1.9
161.09601	12.3
161.13271	4.4
163.07506	2.5
163.08881	1.8
163.11179	26.6
165.12737	2.8
169.10127	4.7
171.11673	3.7
173.04446	7.7
173.09616	8.6
173.13271	6.0
175.11237	8.6
177.09128	2.3
177.12752	8.0
179.10701	3.9
181.10120	2.8
181.12283	4.0
183.11638	3.0
184.07277	2.2
185.09673	2.6
185.13333	2.9
187.11235	2.8
189.11203	6.2
189.12743	2.1
189.16322	2.5
191.10574	4.1
193.12219	17.0
195.11783	2.6
195.13824	4.4
197.13304	2.3
201.12758	3.0
203.14354	1.8
205.12146	3.1
209.11696	9.7
211.13292	16.5
213.12907	2.0
217.15842	8.5
227.12788	21.8
227.17824	2.4
233.15323	5.0
237.16423	2.2
245.13693	2.2
245.19077	4.5
247.17073	1.9
249.14900	1.9
253.14221	10.5
255.17529	3.4
257.18893	2.9
267.15833	9.2
269.17490	21.2
271.16904	6.6
273.18494	39.5
275.20044	5.5
283.15387	79.8
285.16956	15.2
289.17853	15.0
291.19571	21.0
299.14783	13.9
307.18951	8.8
329.20984	2.9
339.18362	2.0
345.20908	1.8
347.22125	16.6
349.23752	6.0
363.21555	4.9
365.23230	15.2
381.22586	7.7
463.26978	7.9
477.22119	3.3
477.28528	43.3
479.26068	4.2
493.27972	8.1
503.30746	2.3
505.27994	5.8
515.30347	8.2
533.30927	2.6
555.33142	16.3
573.34229	38.2
591.35028	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	788.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	23.7
55.05512	56.3
57.03439	22.5
57.07080	3.5
59.04990	5.0
61.02930	9.9
65.03937	7.7
67.05507	100.0
68.05819	2.0
69.03429	13.6
69.07071	74.0
69.80937	4.6
69.81348	2.9
71.01368	1.9
71.05004	12.1
73.02918	4.3
79.05499	75.9
80.06241	1.6
81.03418	33.0
81.07056	85.5
83.01344	13.5
83.04978	30.4
83.08621	28.2
85.02905	17.2
85.06538	3.8
86.09695	4.5
90.18254	1.9
91.03967	3.0
91.05484	74.3
93.07043	79.8
95.01323	2.0
95.04971	26.8
95.08607	55.2
97.02895	17.8
97.06531	21.6
97.10172	16.2
99.04453	5.3
99.08104	1.9
103.05483	2.8
104.10734	2.3
105.04494	3.9
105.07034	52.4
105.69888	1.5
107.04958	22.5
107.08598	45.9
109.02877	4.9
109.06506	11.4
109.10157	34.3
111.04453	6.4
111.08086	7.8
113.05949	1.9
115.03963	2.0
115.05452	3.4
115.07569	2.2
116.04715	2.1
117.07029	26.1
119.08591	45.0
121.06512	14.9
121.10146	22.0
123.08063	18.0
123.11701	4.0
125.00021	1.9
125.06038	2.9
125.09639	13.2
127.03914	4.8
128.06238	3.1
128.75056	1.5
129.05498	7.9
129.07021	9.4
130.07748	2.8
131.08563	22.2
133.06525	4.7
133.10132	30.2
135.08034	6.3
135.11690	21.8
137.09615	19.6
139.11258	2.8
141.07030	2.9
142.07841	1.8
143.07021	2.2
143.08557	6.7
145.06488	2.5
145.10121	39.5
147.08069	6.0
147.11694	12.0
149.02315	4.1
149.09612	18.0
149.13232	3.3
151.11125	5.3
153.12759	3.8
155.08577	4.7
157.08727	3.7
157.10115	5.7
159.11690	11.0
160.91063	1.7
161.09613	7.1
161.13255	7.0
163.11180	42.6
165.09097	1.9
169.10170	2.8
171.10164	3.0
171.11629	4.0
173.04590	1.7
173.09634	4.8
173.11745	9.2
173.13278	6.5
175.11174	3.5
177.12784	2.7
179.14313	6.2
181.12231	5.4
183.11662	2.5
184.07359	10.4
185.13243	3.2
187.11256	2.2
189.11218	5.9
191.10663	5.7
193.04961	2.3
193.12242	5.6
195.13914	1.9
197.13196	2.9
199.13181	2.0
209.11746	13.2
211.13353	3.1
223.13216	9.5
227.12814	14.4
227.17908	2.7
229.14366	7.6
239.17842	2.4
247.20612	2.4
253.14336	3.9
257.18970	7.3
265.14371	1.9
267.15985	3.2
273.18515	8.3
275.20041	33.8
283.15402	84.0
285.16672	1.7
291.19565	33.4
293.21161	4.2
301.16440	14.1
301.19434	2.8
349.23776	43.7
365.23175	15.5
379.21112	10.0
437.25381	31.3
451.26846	5.4
453.25229	2.3
461.29059	12.0
477.28250	3.6
479.26382	1.9
493.27548	2.0
505.28232	2.6
539.33600	2.8
557.34784	56.3
558.35059	2.2
573.34192	7.3
575.35590	9.4
591.35400	16.0
732.43915	2.1
788.43774	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	788.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.2
55.05513	35.5
57.03445	14.1
58.00472	1.3
59.04998	2.3
59.46704	1.4
61.02921	4.4
65.03927	3.3
67.05506	58.7
69.03419	8.2
69.07069	24.2
71.01347	2.2
71.04996	4.8
71.54440	1.8
73.02929	2.6
79.05494	45.0
81.03425	17.5
81.07059	61.7
83.04978	11.5
83.08618	22.0
85.02891	9.7
85.06538	3.7
91.03945	2.0
91.04905	2.8
91.05483	54.1
92.00300	1.4
93.07045	54.0
95.04960	14.0
95.08607	25.5
97.02872	11.2
97.06535	15.4
97.10166	13.6
99.00822	15.9
99.04454	1.7
99.08112	3.2
99.55085	1.4
101.02338	1.8
103.05472	1.8
105.07037	39.3
107.04959	14.5
107.08591	38.3
109.02888	16.3
109.06529	8.0
109.10171	16.9
111.04436	5.0
111.08073	9.0
115.03918	3.7
115.05458	1.5
117.07039	17.1
119.08591	26.0
121.06522	11.0
121.10126	12.1
123.04440	2.7
123.08088	3.7
123.11687	3.7
124.30418	1.6
125.09631	14.8
127.03889	5.2
128.06184	2.1
129.05489	1.6
129.07021	6.5
130.07845	1.3
131.08577	17.6
133.06512	2.4
133.10135	52.1
135.08052	5.5
135.11699	11.2
137.06007	2.6
137.09625	5.1
139.07545	4.8
143.08566	13.0
145.06503	2.1
145.10126	13.7
147.08040	2.3
147.11688	9.8
149.09602	10.4
149.13281	6.0
151.11198	14.0
153.09099	1.7
155.08459	1.8
157.10123	3.9
159.08055	1.8
159.11691	9.3
161.09622	23.0
161.13179	3.1
163.11133	8.6
171.08063	4.0
171.11700	3.0
173.13234	3.5
175.11313	1.5
177.12802	2.1
179.10637	10.9
179.14258	1.9
181.10129	2.0
189.09200	8.8
189.11165	8.0
193.12152	3.5
195.13699	1.9
197.11691	1.7
197.13301	1.5
205.12234	1.6
207.10089	2.0
209.11626	2.2
211.13298	4.2
225.11240	12.6
227.12778	25.6
229.14394	2.7
233.15375	2.2
239.17848	3.1
243.12257	2.8
247.20558	2.3
253.14510	2.4
255.15913	6.4
257.19012	7.7
261.65024	1.4
267.15945	5.3
269.17447	14.0
273.18677	2.5
275.20062	30.2
280.94238	1.6
281.13794	6.5
283.15411	5.0
284.15317	1.6
285.16937	2.2
289.17957	1.9
291.19507	3.6
293.21167	3.0
299.14902	100.0
301.16476	2.7
304.14709	1.4
318.58969	1.6
321.24243	2.2
331.22681	2.9
349.19846	2.8
349.23767	37.0
365.23071	2.2
395.20438	3.2
413.21851	2.3
469.24365	10.6
475.26379	2.1
477.28455	2.6
479.26337	16.8
493.27969	65.6
494.28110	1.8
555.33014	5.4
573.34265	58.1
591.35156	12.6
613.27826	2.7
637.32440	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
57.03424	0.2
61.02926	0.3
63.02375	0.3
67.05489	0.2
69.03426	0.3
69.16367	0.2
70.06584	0.2
71.04983	0.3
71.55740	0.2
72.24010	0.1
73.02934	0.2
78.04710	0.3
79.05484	0.3
81.03407	0.5
83.04984	2.0
85.02891	0.7
85.09421	0.1
89.03917	4.3
91.05486	0.6
93.07043	0.3
95.04926	0.2
95.08582	0.2
97.02884	0.4
97.06530	0.3
103.05474	0.3
105.07011	0.3
106.04166	0.3
107.04950	0.4
109.02851	0.2
111.04435	0.6
117.03378	13.5
119.04895	0.4
121.02898	0.3
127.03922	0.4
129.05449	0.4
131.98416	0.2
133.06477	0.2
134.03644	0.9
135.04416	1.3
137.02359	1.0
137.06003	0.2
145.02843	43.0
146.03241	0.2
147.04416	0.5
148.11143	0.2
149.02267	0.2
149.05978	5.0
153.01825	0.8
158.06041	0.2
162.03214	0.3
163.03882	3.1
165.01819	0.5
177.05463	100.0
178.05806	0.7
181.04897	0.2
186.05479	1.2
189.05414	0.2
195.06450	0.6
201.05510	0.3
207.06532	0.3
229.04988	1.0
247.05919	0.2
257.04407	0.6
274.04636	0.2
285.03891	0.5
287.05649	0.7
291.08582	0.2
303.04980	25.8
304.05304	0.4
309.09839	0.2
317.06589	0.2
323.11255	12.6
387.06967	0.2
405.13235	0.3
787.25873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01647	0.6
55.01874	5.7
55.05517	11.5
57.03435	9.4
61.02932	1.6
64.51759	0.8
65.03927	2.3
67.05508	21.3
69.03429	26.1
69.07077	5.9
69.42649	5.2
71.01347	2.6
71.04990	6.5
73.02913	1.4
76.77764	0.8
79.05495	21.6
81.03420	100.0
81.06598	1.5
81.07059	24.3
83.04978	18.0
83.08622	18.0
85.02905	17.8
85.06527	1.2
91.05483	27.5
93.06492	1.2
93.07044	16.8
95.04380	1.5
95.04968	22.3
95.08598	9.0
97.02895	25.5
97.06515	4.9
97.10164	4.3
99.04446	8.4
99.08053	1.2
103.05494	1.6
105.07033	19.0
107.04964	8.2
107.08604	8.1
109.02146	1.3
109.02882	20.5
109.06544	4.4
109.10173	4.1
111.04443	11.3
111.08072	9.0
113.05978	1.7
115.05445	1.6
117.07010	3.7
119.04919	2.0
119.08588	16.8
121.06490	4.6
121.10136	8.4
123.04452	3.8
123.08064	2.8
123.11706	1.5
124.18134	0.9
125.05996	1.1
125.09622	3.4
127.03919	16.9
128.06267	1.2
129.05478	2.1
129.07010	10.6
131.04959	1.5
131.08571	9.5
133.06502	3.1
133.10143	9.5
135.04395	1.2
135.08020	2.2
135.11684	1.9
137.05956	1.6
137.09642	1.2
139.03889	1.0
141.07005	1.2
142.07735	2.0
143.08595	1.4
145.04982	1.5
145.06458	2.5
145.10136	4.1
147.04416	2.2
147.08070	2.6
147.11682	15.7
149.05978	1.5
149.09602	5.4
149.13249	1.1
151.03926	1.0
151.11160	1.0
153.12775	1.8
155.08473	1.5
157.05051	0.8
157.06435	2.0
157.10136	11.2
159.04652	0.8
159.08017	1.0
159.11708	1.7
161.06006	1.5
163.03886	0.8
163.11125	4.9
165.12762	4.7
167.08502	1.1
171.11647	1.7
171.36018	0.9
173.04462	9.8
173.05833	1.9
173.09596	1.4
173.85426	0.8
175.11172	14.7
181.12209	3.3
183.06500	1.3
183.08052	1.1
185.09715	0.8
189.05460	1.5
189.11240	1.3
191.10680	1.4
193.12257	32.0
201.07567	1.1
209.11671	0.9
211.13287	46.5
217.12311	1.7
227.12691	5.6
229.14345	2.6
235.05942	1.0
235.13251	1.4
238.27863	0.8
243.13725	0.9
249.14893	2.8
253.07062	2.9
255.13760	1.8
257.15433	0.9
259.13379	1.0
265.14386	1.4
267.09171	1.9
267.15927	16.6
269.12265	1.3
271.08008	1.2
273.14859	3.1
283.15524	2.3
285.10278	1.9
285.17023	10.4
289.14325	1.2
301.14148	4.9
319.15323	3.9
337.16516	4.0
347.18222	0.8
355.17554	7.1
375.18182	1.7
385.23749	1.5
393.19025	3.9
411.20175	9.8
429.21335	4.0
438.18347	2.8
438.68225	1.4
459.27435	7.4
477.28577	6.5
495.29694	5.8
499.21603	1.7
537.23029	1.1
539.30054	1.3
543.28876	1.1
547.28784	1.3
557.30988	1.5
567.29077	1.3
585.30536	2.7
603.31873	4.1
621.32611	12.3
639.33466	5.7
655.33203	1.3
747.35516	2.3
765.37134	5.3
783.37952	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	781.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
57.03437	2.0
61.02930	3.3
65.03948	0.4
67.05505	3.2
69.03428	2.5
69.07073	0.9
69.17992	2.6
71.05003	0.4
73.02921	3.2
79.05504	3.1
81.03426	3.6
81.07066	4.1
83.05006	0.8
83.08636	1.5
83.15315	0.3
85.02903	5.2
86.09736	0.3
87.04465	0.6
91.03978	1.9
91.05485	3.1
93.07050	3.0
95.04967	1.6
95.08624	1.9
97.02901	3.4
97.06533	0.6
97.10180	0.4
99.04487	0.7
99.08103	0.4
101.02393	1.5
105.07031	1.6
107.08618	1.4
109.02902	0.6
109.06526	0.6
109.10176	0.5
111.08106	0.8
119.08588	1.4
121.10159	0.8
123.08064	0.3
123.11703	0.3
124.13263	0.3
125.09648	0.3
127.03937	0.9
129.07054	0.8
131.08591	1.1
133.10172	1.1
135.11771	0.5
145.10167	0.5
147.11707	1.1
149.09706	0.6
157.10194	1.1
159.11760	0.4
175.11241	0.8
184.07376	1.0
185.04260	0.7
189.05528	0.4
193.12305	1.3
203.05350	0.4
211.13315	0.5
221.11749	0.3
243.08380	2.3
244.37202	0.3
251.12712	0.9
307.15176	0.4
335.21909	3.0
357.51773	0.3
384.94162	0.3
391.24454	0.5
439.19455	1.0
453.20963	0.8
469.20474	10.1
470.20816	0.4
553.29736	3.4
553.37067	0.3
578.26166	0.3
667.32672	0.4
781.43408	100.0
782.43579	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	782.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
56.33115	0.2
57.32656	0.1
61.02920	0.4
63.09885	0.2
65.03933	0.4
67.05489	0.3
69.03431	0.8
71.53642	0.3
74.02439	0.4
76.31342	0.2
77.03896	0.2
77.86061	0.2
79.05470	0.2
81.03411	0.6
83.56069	0.2
85.02905	1.6
85.16792	0.1
91.05479	9.1
93.07041	1.7
93.67934	0.2
95.04977	0.3
95.64756	0.1
97.02882	0.7
97.56326	0.1
103.05469	5.6
104.05044	0.2
104.05777	0.2
105.03381	1.6
105.04514	0.2
105.07037	0.4
106.06558	0.3
107.04948	0.4
109.02833	0.2
115.05443	0.5
117.05782	1.0
117.07038	0.2
118.06541	9.3
119.04944	8.7
119.06733	0.2
119.07334	1.9
119.08633	0.2
120.08102	100.0
121.08466	0.9
121.10162	0.2
123.04433	0.7
127.03914	0.4
128.04965	0.6
130.06494	1.2
131.04921	0.5
134.06090	0.2
136.07582	6.0
144.04515	0.3
145.04941	0.2
146.06007	19.7
147.04401	3.9
158.05984	0.2
162.05513	2.4
164.07040	0.3
165.05489	1.2
165.06827	0.2
166.07782	0.2
167.08569	1.1
169.10146	0.7
174.05473	0.3
175.08699	0.4
179.08559	0.5
181.10159	0.6
182.08128	2.2
182.09563	0.3
184.07332	0.2
189.05507	0.2
191.08517	0.5
193.10179	0.4
195.08121	0.5
197.09612	0.4
202.07719	0.2
203.08635	0.3
206.09697	0.4
207.08128	0.4
208.11208	2.5
209.09654	0.4
211.63211	0.2
218.09747	0.4
219.08070	0.6
220.11179	1.4
221.09634	0.3
222.12752	0.4
223.07513	2.1
224.10785	0.3
228.10237	0.9
236.10684	3.6
237.11501	0.2
237.13940	0.5
238.12302	1.1
246.09190	0.9
247.07634	0.2
248.10666	0.4
253.13394	0.2
264.10214	1.7
265.08594	1.6
265.13193	0.9
266.11752	8.8
270.11261	2.3
277.40225	0.2
281.12906	0.6
282.11176	2.0
283.14496	0.3
292.09677	14.0
293.09787	0.3
293.12820	2.9
299.13986	0.2
309.12332	3.4
329.14951	9.1
330.15289	0.2
337.11966	0.2
339.13477	0.6
355.12860	4.1
383.17603	0.3
411.16913	1.0
417.18024	4.0
417.23492	0.2
418.71249	0.2
429.18097	1.1
439.16519	9.2
440.17468	0.3
457.17648	0.2
473.17389	0.5
474.20279	3.0
480.51709	0.2
502.20117	0.4
512.55054	0.2
553.72205	0.2
592.24768	0.8
602.22736	0.3
620.23877	7.9
621.23907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05507	1.7
57.03449	2.3
57.03695	0.5
57.07076	0.6
61.02929	5.1
65.01308	0.4
67.05505	4.1
69.03423	3.1
69.07065	1.8
69.35490	3.2
71.01354	0.5
71.04994	0.9
71.08601	0.4
73.02919	3.8
79.05492	3.9
81.03413	3.4
81.07061	3.7
83.04987	1.6
83.08624	1.5
85.02904	5.4
85.06554	0.5
86.09716	1.1
91.03951	3.1
91.05490	4.2
93.07050	4.5
94.43629	0.4
95.04968	1.5
95.08607	2.4
97.02899	4.9
97.06557	1.0
97.10188	0.7
99.04444	1.2
101.02383	2.1
103.03967	0.6
105.07035	3.0
107.04965	1.2
107.08581	2.2
109.02864	0.6
109.06543	0.5
109.10161	1.5
113.06119	0.4
117.07011	0.9
119.08585	2.3
121.06525	0.4
121.10158	1.4
127.03893	1.8
129.05513	0.8
129.07016	0.7
131.08600	1.3
133.10175	1.6
135.11708	1.1
137.09604	0.6
145.10139	1.1
147.11710	1.1
151.11223	0.4
157.10165	0.8
162.38237	0.4
163.11229	1.2
174.99187	0.4
175.11227	0.5
184.07355	2.3
185.04190	2.1
189.05449	0.5
193.12303	0.5
201.03763	0.6
203.05389	0.7
211.13243	0.5
243.08359	3.7
247.13181	0.5
251.12666	0.5
259.08163	0.6
301.08960	3.0
313.09280	0.4
315.10666	0.7
317.21121	0.4
333.20605	0.5
335.21658	0.5
357.24203	0.4
369.15253	0.4
373.11139	0.9
385.18283	2.4
439.19397	0.6
453.20612	0.8
465.21054	2.6
467.18857	6.0
469.20313	6.7
469.26282	0.6
495.22217	0.5
525.22986	3.7
535.28809	2.8
551.28351	1.4
553.30176	2.4
607.31097	1.5
609.32471	0.9
677.38123	0.6
693.34460	17.1
695.39581	1.2
761.40662	3.2
762.41394	0.8
762.55469	0.4
779.41785	100.0
780.41986	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	779.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95522	0.5
55.01868	0.6
55.05516	1.2
55.72226	0.5
56.96582	0.6
57.03434	1.3
57.88897	0.5
61.02929	4.5
67.05502	4.0
68.50514	0.4
69.03433	2.3
69.07081	0.8
69.50325	3.2
69.50745	0.9
71.01374	0.8
71.04987	1.0
71.08622	0.6
73.02912	3.0
77.28463	0.5
79.05499	2.8
81.03418	3.8
81.07067	4.2
83.04977	0.9
83.08624	1.2
85.02911	6.1
91.03955	2.8
91.05470	4.0
93.07082	2.7
93.07574	0.6
95.04972	1.3
95.08612	1.8
97.02897	4.2
97.06538	1.0
98.20792	0.9
99.08077	0.8
101.02396	1.2
105.07043	2.7
107.04948	1.2
107.08611	1.7
109.02924	0.7
109.06526	1.3
109.10181	1.5
110.50684	0.5
111.08071	0.6
111.49565	0.5
117.07059	0.6
119.08609	2.2
121.10177	1.4
127.03944	1.3
129.07019	0.9
131.08551	1.3
133.10178	1.9
135.11691	0.7
143.08646	0.5
147.08179	0.6
147.11722	1.4
149.09576	0.8
157.10127	0.8
175.11223	0.6
184.07455	1.3
185.04289	0.7
193.12332	1.8
203.05206	0.6
211.13309	0.8
243.08452	2.2
251.12572	1.2
285.17334	0.6
288.34085	0.6
300.50494	0.6
315.19388	0.7
333.20294	2.6
451.19897	0.7
465.21149	0.6
469.20486	9.6
533.27460	0.9
535.28394	0.7
548.88409	0.5
551.28143	1.6
679.33368	0.9
692.37030	0.6
693.34375	4.7
733.41064	1.1
761.40778	6.1
779.41699	100.0
780.42035	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	779.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05516	1.3
57.03440	2.0
59.05023	0.3
59.87814	0.3
61.02925	3.8
65.03947	0.4
67.05502	3.2
69.03431	3.0
69.07079	1.9
69.77487	1.2
71.01354	0.5
71.05007	0.6
73.02917	2.8
79.05496	3.3
81.03420	3.9
81.07056	3.8
83.04987	1.0
83.08623	1.2
85.02907	5.5
87.04478	0.3
91.03960	2.5
91.05489	3.5
93.07037	2.3
95.04969	1.9
95.08604	2.1
97.02879	3.8
97.03450	0.3
97.06548	0.7
97.10166	0.3
99.04485	0.6
99.08140	0.3
101.02380	1.7
105.07037	2.4
107.08605	1.2
109.02883	0.6
109.06560	0.7
109.10153	0.8
111.08067	0.7
117.07034	0.6
119.08587	1.6
121.06547	0.3
121.10157	1.0
123.08070	0.6
127.03915	1.1
129.07025	1.0
131.08594	1.1
133.10127	1.4
133.55666	0.3
135.11725	0.5
141.68945	0.3
145.10127	0.5
147.07977	0.4
147.11728	1.0
149.09648	0.5
157.10167	0.8
175.11238	0.8
183.41791	0.2
185.04358	0.3
189.05461	0.4
193.12245	1.2
203.05389	0.7
211.13266	0.6
218.77681	0.3
235.13121	0.4
243.08463	2.3
251.12613	1.2
307.15250	0.7
333.20398	2.0
421.78961	0.3
439.19366	0.8
453.20853	1.3
469.20447	9.6
551.28387	3.8
617.36542	0.4
681.34821	0.7
779.41827	100.0
780.42169	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	779.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.05518	1.8
57.03435	1.7
61.02927	4.7
67.05500	3.4
68.64359	0.3
69.03428	2.8
69.07076	2.3
69.99421	1.2
71.01356	0.3
71.04991	0.7
73.02925	3.4
79.05497	3.5
81.03414	4.3
81.07050	4.5
83.04998	1.0
83.08624	1.5
85.02908	6.3
90.60705	0.3
91.03958	3.2
91.05484	3.7
93.07050	2.6
95.04953	2.1
95.08604	1.9
97.02901	3.9
97.06532	0.5
99.04472	1.0
101.02388	1.9
103.03978	0.5
105.07042	2.7
107.04974	0.4
107.08578	1.6
109.02875	0.9
109.06534	0.5
109.10160	0.4
111.08098	0.5
117.07057	0.4
119.08587	2.0
121.10172	1.3
123.08083	0.3
125.09585	0.3
127.03914	1.2
129.07037	1.1
131.08612	1.0
133.10158	1.4
134.13834	0.3
135.11697	0.5
137.09648	0.5
147.11711	1.4
149.09625	0.6
149.13309	0.4
157.10190	0.6
159.11726	0.5
163.11180	0.4
175.11276	0.7
184.07364	0.7
185.04185	0.7
189.05530	0.8
193.12216	1.7
203.05330	0.4
209.73010	0.3
211.13383	0.9
221.11798	0.3
241.06859	0.4
243.08395	2.9
251.12579	1.2
263.71649	0.3
307.15103	0.6
313.08972	0.6
333.20340	2.3
349.16830	0.5
389.22906	0.5
439.19641	0.5
453.20831	0.6
469.20459	10.7
519.83362	0.3
551.28247	3.7
609.68774	0.3
617.36536	0.4
681.34442	0.5
730.15906	0.4
779.41809	100.0
780.42352	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	779.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48346	0.3
55.01869	0.5
55.05521	1.7
55.97738	0.3
57.03437	2.1
60.06733	0.3
61.02928	3.7
65.03954	0.4
67.05510	3.6
69.03429	2.8
69.07076	1.7
69.58849	2.1
71.01330	0.3
71.04983	1.1
73.02917	2.8
79.05488	3.5
81.03413	3.4
81.07056	3.6
82.64580	0.3
83.04986	1.2
83.08610	1.2
85.02907	5.9
85.06573	0.5
86.09709	1.7
87.04461	0.4
91.03965	2.7
91.05487	4.5
93.07052	4.0
95.04957	1.7
95.08620	1.7
97.02900	4.0
97.06535	1.0
97.10210	0.4
98.21464	0.7
99.04466	0.7
101.02351	2.0
105.07038	3.6
107.04945	0.6
107.08606	2.0
109.02914	0.8
109.06550	0.6
109.10122	0.7
111.08082	1.0
113.06067	0.4
115.03987	0.5
117.07005	1.0
119.08569	2.8
121.10136	1.6
123.08099	0.3
125.00023	1.1
127.03928	1.3
129.07019	1.4
131.08580	1.2
133.10121	1.9
143.08656	0.4
145.10109	0.7
147.11690	1.9
149.09615	0.5
157.10124	1.0
159.11665	0.4
163.03767	0.4
163.11197	0.4
173.13307	0.5
175.11247	1.3
175.14816	0.3
175.48082	0.4
184.07355	6.0
185.04210	0.4
185.07608	0.7
189.05435	1.9
193.12323	1.2
211.13387	0.8
219.46840	0.3
243.08417	2.8
247.13031	0.4
251.12650	1.1
275.19992	0.4
307.15131	0.5
333.20404	3.4
334.20807	0.4
389.22662	0.4
465.20969	2.3
469.20447	10.1
551.28308	4.0
569.33838	0.4
604.87524	0.4
671.33978	0.5
693.34546	1.1
779.41852	100.0
780.42255	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	778.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
55.05270	1.4
55.05512	19.5
56.50254	0.8
57.03434	12.6
57.07078	6.9
59.06134	0.9
59.44557	1.0
60.08157	1.8
67.05505	22.3
69.03415	1.7
69.07066	25.2
71.04990	1.6
71.08617	4.5
71.56536	1.2
75.97172	0.9
79.05490	12.2
81.03413	61.1
81.07051	25.7
83.04972	3.5
83.08618	29.9
85.02894	1.6
85.06533	2.3
85.10196	2.5
86.09715	5.1
91.05480	13.9
93.07048	15.4
95.04967	17.6
95.08607	22.4
95.09143	0.9
97.02876	2.6
97.06538	2.5
97.10164	12.9
98.98480	1.4
99.08109	1.3
105.07024	8.8
107.04981	4.4
107.08591	8.0
109.06529	2.1
109.10153	8.8
111.04419	1.2
111.08081	6.7
111.11720	2.9
119.08574	11.2
121.06502	2.2
121.10163	11.1
123.11703	2.1
124.99965	4.6
125.09657	2.6
129.07025	6.6
131.08583	5.2
133.06476	2.9
133.10136	3.7
135.11696	5.0
137.09656	0.9
142.07764	2.0
143.08650	0.9
145.10106	1.1
147.07997	2.6
147.11705	5.3
149.09619	3.5
149.13286	2.4
157.10167	6.4
159.41071	0.9
160.11229	1.4
163.14801	0.9
165.12764	1.4
175.11194	6.1
177.16267	1.2
184.07358	18.3
191.07016	1.0
193.12247	20.7
211.13318	0.9
233.15329	1.1
247.24036	0.9
249.14806	1.7
258.08911	2.0
265.25290	2.3
267.15906	100.0
273.14969	0.9
309.17029	1.2
310.44043	1.0
313.27496	1.6
339.28928	82.5
340.29272	2.4
457.36703	2.9
505.38782	1.1
531.40448	72.6
532.40790	2.1
549.41571	12.2
573.41296	3.9
581.43622	1.1
639.42059	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.05511	2.0
55.06183	0.4
57.03440	2.1
58.18159	0.4
61.02930	4.5
62.54847	0.4
67.05504	4.1
69.03426	3.3
69.07056	1.8
70.13527	0.8
70.13921	1.1
70.91512	0.4
71.01350	0.5
71.04988	0.6
73.02917	3.2
75.38275	0.3
79.05493	2.9
81.03416	4.8
81.07059	3.5
83.04993	1.6
83.08627	1.6
85.02909	5.4
86.09698	0.5
91.03945	2.6
91.05476	4.6
93.07056	2.7
93.43803	0.4
95.04963	2.3
95.08607	2.6
97.02882	4.1
97.06547	0.5
99.04470	0.9
101.02388	1.7
105.07040	3.9
107.04978	0.8
107.08601	2.0
109.02880	0.7
109.06533	0.9
109.10165	0.9
111.08095	0.5
117.07014	0.8
119.08555	2.1
121.06503	0.4
121.10180	1.0
123.08092	0.4
125.00005	0.6
127.03926	1.8
129.07039	1.4
131.08580	1.4
133.06487	0.6
133.10103	2.5
135.11699	0.7
145.05038	0.5
145.10118	0.6
147.08093	0.5
147.11713	1.2
149.09633	0.8
151.11272	0.4
152.38905	0.4
157.10156	1.6
159.11754	0.5
175.11209	1.4
184.07312	2.3
193.12178	2.2
203.05295	0.4
211.13326	0.7
243.08452	3.3
251.12683	1.2
313.17844	1.3
315.10483	0.6
331.18829	2.5
451.19351	0.6
469.20456	10.3
531.25836	1.1
541.22491	1.0
547.50574	0.4
549.26953	1.3
566.92535	0.4
659.30426	0.4
679.32874	2.1
708.32916	0.7
759.39191	7.1
777.40222	100.0
778.40631	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	777.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43315	0.3
55.01864	0.7
55.05510	2.3
57.03432	1.5
59.04991	0.6
60.41356	0.3
61.02933	4.5
67.05499	3.8
69.03426	3.2
69.07061	2.0
69.32838	2.9
69.33247	0.8
71.01337	0.5
71.04991	0.7
71.08627	0.4
73.02913	3.9
79.05492	4.2
81.03410	3.5
81.07049	3.9
83.05000	1.2
83.08620	1.5
85.02904	5.5
87.04471	0.5
91.03955	2.9
91.05478	3.1
92.05875	0.3
92.82999	0.3
93.07037	3.3
95.04975	1.5
95.08585	1.9
97.02880	3.3
97.03356	0.3
97.06553	0.9
97.10162	1.1
98.20727	0.7
99.04475	1.2
101.02361	2.0
105.07021	2.5
107.04945	0.9
107.08590	1.8
109.02883	0.7
109.06553	0.4
109.10132	1.1
111.08089	0.4
115.07246	0.4
117.07023	0.9
117.23758	0.3
119.08601	1.6
121.06527	0.5
121.10146	1.2
123.08045	0.7
127.03941	1.1
129.07036	0.5
131.00201	0.3
131.08617	1.1
133.10130	1.5
135.11676	1.0
143.08586	0.4
145.10138	1.5
147.11700	1.2
149.09659	0.4
149.13255	0.4
157.10165	0.9
159.11687	0.4
163.11157	1.7
165.22234	0.3
184.07301	0.5
185.04173	0.8
189.05493	0.4
203.05324	0.5
223.13457	0.5
234.71642	0.4
243.08395	3.3
249.11162	0.5
251.12639	0.6
283.15405	0.5
291.19641	0.4
306.14920	0.3
331.18903	0.9
333.20425	1.7
392.10330	0.4
439.19485	0.5
453.21283	0.5
467.18924	6.4
469.20413	3.3
543.29700	1.0
544.30219	0.9
549.26471	1.7
551.28302	2.2
591.91382	0.4
679.33136	0.7
739.83319	0.4
777.40253	100.0
778.40472	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	777.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.03475	0.3
55.05505	2.1
56.48315	0.4
57.03434	2.1
59.04996	0.5
59.16993	0.3
61.02934	3.8
62.88734	0.5
65.03930	0.5
65.27789	0.5
66.38860	0.4
67.05508	4.2
67.42583	0.4
67.72514	0.3
69.03431	2.7
69.07070	1.7
69.60883	1.0
69.61295	1.3
71.04996	1.0
73.02919	4.0
74.50654	0.4
75.16151	0.4
79.05505	4.2
81.03418	3.0
81.07054	5.7
83.01360	0.5
83.04989	1.3
83.08617	1.6
85.02908	5.6
85.06576	0.5
85.96041	0.3
86.09705	1.0
87.04474	0.4
91.03948	3.0
91.05481	3.9
93.07039	3.9
95.04972	1.3
95.08601	2.0
97.02901	4.7
97.06530	1.0
98.97614	0.5
99.04461	1.0
101.02386	2.2
105.07035	2.0
107.04973	1.0
107.08612	2.8
109.02912	1.0
109.06561	0.7
109.10156	1.4
112.34441	0.4
117.07050	1.1
119.08588	1.5
121.10158	1.4
123.08067	1.1
124.99994	0.7
127.03931	1.4
131.08588	0.9
133.10141	1.6
135.08087	0.8
135.11717	1.5
137.09628	0.6
145.10086	2.1
147.08200	0.4
147.11711	0.5
151.11166	0.4
151.41063	0.4
153.12724	0.4
157.10274	0.5
158.99704	0.5
163.11163	2.3
166.13217	0.4
181.12202	0.6
184.07304	3.1
185.04277	0.5
209.11751	0.5
225.59740	0.4
237.00024	0.5
243.08374	2.9
249.11055	0.4
253.14394	0.5
254.14934	0.4
283.15326	0.4
333.20477	1.4
389.23080	0.4
439.19620	1.1
453.21167	0.8
463.63831	0.4
467.18903	9.1
469.20676	1.4
480.30585	0.5
551.28137	4.2
571.00519	0.4
679.32416	0.6
777.40295	100.0
778.40356	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	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.7
55.05272	2.7
55.05514	33.7
57.03439	20.0
57.07072	3.6
58.18323	1.8
60.08147	3.0
61.02928	7.7
63.21600	1.4
63.33590	1.4
64.32535	1.8
65.03937	5.7
67.05508	66.3
69.03429	14.2
69.07064	22.0
71.00079	3.6
71.04998	11.4
71.07401	1.8
71.08629	19.9
73.02898	5.4
74.46612	1.5
79.05496	62.9
81.03420	66.5
81.07061	76.5
83.04557	2.2
83.04987	26.6
83.08618	40.5
85.02908	34.5
85.06528	3.9
86.09727	9.0
91.03960	4.0
91.05482	66.7
93.07045	62.9
95.04969	38.8
95.08606	33.4
97.02883	9.8
97.06001	1.5
97.06537	9.8
97.10169	9.6
99.08092	15.5
105.04485	2.6
105.07037	42.2
107.04949	11.4
107.08595	29.7
109.02882	4.5
109.06511	7.1
109.10168	12.3
111.04461	3.6
111.08095	13.2
113.06019	3.2
115.05450	1.9
117.07020	15.5
119.08585	34.9
121.06525	3.9
121.10155	19.8
123.08060	4.2
123.11703	3.6
125.00002	7.0
125.09607	6.1
127.03949	4.0
128.06258	2.0
129.05476	2.8
129.07010	14.4
131.08574	23.6
132.08925	2.0
133.06471	3.6
133.10136	24.2
135.08078	2.9
135.11732	8.4
137.09624	3.9
142.07764	4.6
143.08597	3.1
145.06462	2.3
145.10139	9.2
147.08060	4.0
147.11682	22.9
149.09573	8.1
149.13249	12.1
151.11171	18.4
157.10152	20.9
159.08003	1.9
159.11693	10.2
161.13254	7.3
163.11215	13.7
165.12766	5.3
169.09999	1.5
171.11699	3.7
173.04518	2.3
173.11769	2.8
175.11182	14.7
177.12730	2.7
179.14307	3.4
184.07332	37.5
185.13274	3.8
189.11171	3.6
193.12254	40.1
194.12666	1.7
195.13789	6.5
211.13290	60.5
227.12732	5.2
243.08595	1.8
253.17867	2.6
258.42221	1.7
259.20575	7.6
267.09113	2.3
267.15924	32.2
269.17490	36.8
275.19763	1.9
277.21649	17.1
285.10156	3.2
285.16980	58.8
301.14212	1.6
303.16318	1.9
351.25339	26.7
352.25601	1.9
383.23999	4.3
439.26993	2.1
443.27786	3.0
445.29712	2.9
461.28958	33.1
463.30478	5.1
469.20428	2.1
479.30069	100.0
480.30249	2.6
481.30795	1.9
503.33322	2.1
533.38013	2.0
543.36884	13.2
561.37885	32.4
579.38379	2.6
599.30707	2.5
623.33966	5.0
720.68842	1.8
776.38708	4.0
777.40210	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	775.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
55.05516	3.1
55.67698	0.5
57.03440	2.4
57.07074	0.5
58.34938	0.4
61.02933	4.9
65.03947	0.5
67.05175	0.9
67.05506	9.2
68.05830	0.6
68.12653	0.4
69.03430	2.9
69.07068	3.5
69.55205	0.8
69.55610	3.0
71.05000	1.4
71.08624	0.5
73.01476	0.4
73.02926	3.6
76.36067	0.4
79.05496	9.3
81.03421	6.0
81.07056	9.6
82.03765	0.5
82.07408	0.8
83.04988	2.0
83.08626	2.0
85.02911	6.2
85.06562	0.7
86.09718	1.0
87.04489	0.6
89.85530	0.4
91.03954	2.9
91.05489	8.3
92.05830	0.6
93.07052	7.8
94.07390	0.7
95.04978	3.8
95.08617	5.2
96.05331	0.5
96.08941	0.5
97.02892	3.4
97.06548	1.6
97.10178	0.6
98.97583	0.4
99.04453	0.7
99.08096	0.5
101.02396	1.8
105.07030	6.1
106.07358	0.8
107.04993	1.2
107.08612	4.2
108.08946	0.7
109.02867	0.6
109.06530	1.6
109.10159	3.6
109.65735	0.5
111.08106	0.6
117.07056	1.9
119.08589	3.9
121.06506	0.5
121.10139	2.3
123.08120	1.5
125.00043	0.5
127.03945	1.7
129.05595	0.5
129.07033	1.9
131.08540	2.5
133.10138	4.4
134.10515	1.1
135.08112	0.8
135.11681	2.1
143.08580	0.9
145.10129	1.5
147.11687	3.7
149.09624	0.6
151.11182	1.1
157.10184	1.0
159.11652	0.8
161.09679	0.5
161.13303	1.2
163.11227	1.2
171.11775	1.7
178.09557	0.5
179.14351	0.6
180.10646	0.4
184.07332	2.6
185.04260	0.7
189.12846	0.6
193.12329	1.6
199.07913	0.6
207.13921	0.6
211.13293	2.3
212.13715	1.3
227.12822	0.6
243.08395	3.4
247.13129	1.3
249.11028	0.9
253.14481	0.9
254.14745	0.6
266.62933	0.5
267.16022	0.8
268.16205	0.5
269.17593	0.7
275.20117	0.8
281.17719	0.6
283.15680	0.7
285.17026	2.8
286.17426	1.3
293.21149	1.0
294.21432	0.8
314.00870	0.5
333.20657	2.4
349.23892	0.7
350.24112	0.7
367.25027	0.6
368.25320	1.0
389.23187	0.5
439.19690	0.9
453.20740	0.9
465.20941	10.3
467.19080	1.6
478.28683	0.5
551.28320	5.6
559.36755	0.7
560.36890	1.8
577.37311	0.8
578.37445	3.0
703.51984	0.5
757.37909	0.8
770.47272	0.5
775.42273	100.0
776.42853	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	775.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.05513	2.2
57.03440	2.0
61.02651	0.4
61.02931	3.9
65.03954	0.3
65.92892	0.2
67.05503	3.8
69.03431	3.6
69.07063	2.8
71.01364	0.5
71.04993	0.6
71.56153	0.5
73.02905	2.5
74.68708	0.3
79.05490	3.6
81.03419	3.1
81.07051	3.8
83.01372	0.4
83.04986	1.1
83.08619	1.7
85.02905	4.8
89.66980	0.3
91.03950	2.7
91.05471	2.7
93.07046	3.3
95.04973	1.3
95.08604	1.4
97.02893	4.9
97.06541	0.8
97.10163	1.5
99.04469	1.0
101.02367	2.5
103.03969	0.5
105.07020	2.3
107.04972	1.0
107.08592	2.4
109.02885	1.1
109.06528	0.9
109.10146	1.4
111.04461	0.5
111.08089	0.3
117.07018	1.4
118.58149	0.3
119.08587	1.9
121.06544	0.5
121.10159	1.2
123.08079	0.9
125.09659	0.9
127.03897	1.5
129.07005	0.3
131.08588	1.0
131.59254	0.3
133.10141	1.0
135.08072	0.4
135.11662	1.4
143.08603	0.4
145.10120	1.8
147.08035	0.4
147.11694	0.7
157.10107	0.4
161.97601	0.3
163.11188	2.6
173.09644	0.4
174.68489	0.2
178.27730	0.2
184.07333	0.5
185.04239	0.7
203.05388	0.4
223.13354	1.2
243.08392	4.1
249.10936	0.6
273.18414	0.3
283.15512	0.6
287.05573	0.6
291.19464	1.8
301.09097	0.3
305.13779	0.3
331.18954	1.4
373.10904	0.3
387.21509	0.6
423.56314	0.3
428.03629	0.3
465.20673	0.4
467.18872	9.9
549.26849	5.0
553.22583	0.3
775.38702	100.0
776.38934	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	775.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05524	2.3
57.03444	2.3
57.03674	0.4
61.02700	0.4
61.02932	4.6
61.16759	0.4
67.05505	4.3
69.03434	3.8
69.07056	1.7
70.95248	0.5
71.01350	0.6
71.04983	0.9
71.56507	0.6
73.02915	4.1
79.05483	4.0
81.03419	3.5
81.07065	4.9
83.01328	0.6
83.04974	1.8
83.08616	1.5
84.45894	0.4
85.02905	5.7
91.03950	3.8
91.05487	4.0
91.35252	0.4
93.07045	3.9
95.04931	1.9
95.08607	4.0
97.02893	4.9
97.06503	0.9
99.04476	1.0
101.02400	2.4
105.07034	4.3
107.04945	1.4
107.08599	2.2
109.02863	1.2
109.06506	1.4
109.10164	1.8
111.04425	0.6
115.03888	0.5
115.05454	0.5
117.07021	1.4
119.08569	1.9
121.06493	0.8
121.10155	1.1
123.08088	1.6
125.09698	0.6
127.03937	1.3
129.05470	0.4
129.07024	0.8
131.08591	0.8
133.10185	2.9
133.11069	0.5
135.11691	1.5
145.05064	0.6
145.10135	1.9
147.11688	0.5
149.09686	0.5
157.10126	0.5
163.03952	0.4
163.11166	2.8
173.01170	0.4
173.09529	0.5
175.11185	0.6
184.07364	1.1
185.04236	1.0
193.12305	1.7
199.14758	0.5
199.86407	0.4
203.05345	0.6
243.08479	3.1
249.10979	0.8
273.18564	0.6
277.13995	0.5
283.15384	1.2
301.08905	0.5
313.17813	1.1
331.18768	3.3
451.19781	1.0
467.18927	11.8
467.25363	0.7
485.77713	0.5
515.14838	0.6
531.25659	1.8
539.21106	0.7
549.26874	2.5
622.48749	0.6
677.31818	2.4
706.31342	0.8
757.25085	0.8
757.37665	9.4
775.38702	100.0
776.39087	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	775.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
57.03412	1.1
57.48911	0.6
61.02917	1.4
65.03938	4.7
67.05484	1.7
69.03432	6.3
69.99504	3.1
73.62667	0.7
78.04708	2.1
79.05492	2.8
81.03421	2.8
82.04182	1.4
85.02447	0.9
85.02910	10.6
87.04473	1.1
91.05485	7.6
92.96922	0.6
93.03394	1.3
95.04938	1.8
97.02893	4.3
97.06521	1.5
98.21548	0.7
99.04443	1.2
103.05442	2.2
105.03388	1.0
105.07013	1.0
106.04182	1.5
107.04916	3.3
109.02853	1.2
109.39418	0.6
110.03645	1.9
111.04436	1.1
111.37833	0.5
115.05462	6.2
117.07018	8.2
119.04955	8.0
121.02852	0.5
121.06484	0.6
122.03645	1.9
123.04439	6.3
124.05208	2.5
125.02333	0.7
125.06009	1.6
127.03884	1.1
130.75807	0.7
131.04918	1.4
133.02821	1.9
133.06487	1.0
135.04350	0.8
137.05978	11.8
138.03152	1.1
142.02605	2.3
143.04922	1.7
144.05679	0.6
145.06483	12.7
147.04422	11.5
147.08049	1.7
149.05995	0.6
151.03906	2.2
151.07538	2.0
152.04677	1.9
153.05453	1.7
155.06018	5.7
159.04379	0.7
160.05209	1.1
161.05977	2.3
164.07083	1.0
165.05437	1.8
165.06839	0.6
167.07047	100.0
168.07465	1.5
171.06554	3.4
173.05992	22.1
175.07549	2.4
177.05373	0.6
179.07079	3.4
181.04964	81.0
182.05334	0.9
188.04660	0.9
189.05484	1.6
191.06979	2.0
191.08588	0.8
193.08598	1.3
195.08093	0.6
198.79419	0.6
201.05467	1.6
203.07013	6.0
205.08582	7.8
207.06390	0.9
207.08130	0.7
207.10115	0.8
213.05429	0.9
219.06464	1.9
219.08316	0.8
221.06227	0.6
221.08046	3.0
222.06859	0.9
223.07529	1.1
231.06581	1.9
233.05905	1.2
233.08063	9.5
234.06880	0.8
235.07549	1.3
235.09654	6.9
236.08414	0.8
237.09138	0.9
247.07410	0.9
249.07578	1.4
250.06299	1.3
251.07040	0.9
263.06998	0.7
265.08575	2.2
267.06619	1.1
267.10129	0.6
282.09244	0.9
283.09689	0.8
287.05539	1.6
293.08090	2.9
295.09555	1.3
297.11273	1.8
298.11920	0.7
299.09296	0.6
303.05020	1.5
310.08249	3.2
325.10562	4.0
326.11542	1.4
327.08624	0.9
328.77795	0.6
329.13788	1.3
341.10278	1.0
342.10968	0.9
353.10217	1.0
357.13333	12.3
361.02487	1.4
367.12085	0.9
385.12836	43.3
387.14359	9.9
397.13132	0.8
403.13901	18.6
415.13873	11.8
416.14676	1.0
417.15460	24.5
417.21152	1.2
515.17249	1.0
535.19061	0.7
559.68073	0.7
565.20526	2.9
577.19214	1.6
595.20679	5.3
613.22662	1.5
775.28064	44.7
776.27917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05492	1.2
57.03433	1.2
58.50241	0.7
61.02916	1.2
65.03938	4.4
67.05483	2.3
69.03436	6.4
69.41370	2.7
69.41800	2.6
70.06565	1.4
71.04971	1.2
73.02886	0.8
78.04686	2.7
79.05486	4.0
81.03403	2.8
81.07041	1.3
82.04181	1.5
83.04966	2.5
84.08147	1.1
85.02430	1.0
85.02904	13.4
86.03268	0.7
86.09695	1.1
89.03918	4.1
90.04221	1.4
91.05475	9.8
93.03413	1.4
93.07035	0.8
95.04939	2.2
95.08602	0.9
96.00948	0.6
97.02893	5.1
97.06519	2.3
98.21493	1.3
98.97579	1.0
102.71938	0.6
103.05445	3.0
105.07018	1.8
105.97657	0.6
106.04146	2.0
107.04953	4.9
107.08582	1.0
109.02865	2.5
110.03638	2.3
111.04425	2.3
115.05440	6.7
117.03389	5.4
117.07016	8.3
118.03680	1.5
119.04934	8.1
119.08582	1.5
121.02859	0.8
121.06458	0.8
121.10146	1.1
122.03597	1.7
122.56701	0.7
123.04439	7.8
124.05225	2.2
125.05984	1.9
127.03908	2.3
127.05410	1.7
131.04918	2.2
133.02835	1.8
133.10117	0.8
135.04420	11.9
136.04721	3.8
137.02345	1.6
137.05019	0.9
137.05983	10.2
138.03128	1.4
142.02602	3.0
143.04869	0.9
145.02858	9.1
145.06488	13.2
146.03162	3.3
147.03398	0.8
147.04425	10.7
147.08078	1.6
149.05988	1.3
151.03899	3.1
151.07573	2.1
152.04674	2.7
153.01753	1.1
153.05501	1.5
155.04947	1.2
155.06050	4.9
160.05238	1.1
161.05984	1.8
163.03912	83.4
164.04240	32.5
165.04366	9.0
165.05647	1.2
165.06821	0.6
167.07043	100.0
168.07327	1.3
171.06482	2.7
173.05981	21.0
174.06613	1.1
175.03839	0.8
175.07588	2.7
177.05453	2.4
179.07082	3.4
181.04962	88.0
182.05444	0.7
188.04694	0.8
189.05574	1.4
189.07085	0.6
189.09052	0.8
191.07089	1.8
193.08607	0.9
201.05399	1.6
203.07040	5.2
205.06793	1.0
205.08595	8.1
207.06424	1.1
209.07899	0.9
213.05443	1.0
215.07086	1.0
217.08598	0.9
219.06569	2.0
221.08099	2.1
222.06720	1.0
223.07645	0.9
231.06586	1.5
233.05919	1.3
233.08058	8.1
235.07492	1.4
235.09657	8.6
237.09102	0.7
239.07088	0.9
250.06232	1.6
251.06902	0.7
254.09506	0.9
263.06998	0.9
264.08087	1.2
265.08658	2.1
267.06451	0.8
271.09653	0.9
278.05655	0.7
282.08929	1.5
283.09647	2.1
293.08228	2.2
294.08551	0.8
295.06277	1.2
297.11224	2.5
303.04999	11.2
304.05414	5.6
305.05646	4.6
308.06836	0.7
309.09747	5.6
310.10410	4.2
311.10074	2.7
325.10678	3.8
326.11481	1.4
327.08643	1.4
329.13989	1.0
339.12628	1.3
341.10208	0.9
342.11069	1.6
353.10263	1.9
354.11090	1.0
355.11914	0.9
357.13358	13.2
367.11938	1.0
370.14313	1.4
378.07407	0.6
385.12823	43.7
386.13437	1.3
387.14346	9.9
397.12918	1.0
399.14398	1.0
403.13892	15.0
415.13831	14.1
416.14554	1.3
417.15433	19.8
435.32736	1.0
515.16895	1.2
565.20679	3.5
573.75903	0.8
577.19489	2.8
595.20490	4.9
613.23035	5.7
764.81738	0.7
775.28070	45.4
776.27716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	13.0
55.05514	42.1
57.03443	23.7
61.02918	4.0
64.59573	2.0
65.03942	4.2
67.05507	77.3
69.03427	12.3
69.07069	34.8
70.78368	4.8
71.04997	7.9
73.02916	2.7
79.05498	68.5
81.03420	86.8
81.07056	85.6
83.04982	31.4
83.08622	46.3
85.02906	37.5
85.06535	7.4
87.04447	2.2
91.05484	76.6
93.07043	66.0
95.04974	35.9
95.08599	34.8
97.02888	11.3
97.06538	20.7
97.10184	19.4
98.21468	2.2
99.04501	2.6
99.08086	2.8
105.07030	52.4
105.07703	3.9
107.04961	15.2
107.08596	45.2
108.96732	1.9
109.02870	3.5
109.06490	9.9
109.10175	11.9
111.04454	4.0
111.08101	18.5
113.06003	3.6
115.05460	4.7
117.07027	16.5
119.08579	41.0
121.06510	6.5
121.10146	25.2
123.08070	9.1
123.11713	3.7
125.09644	14.2
127.03923	5.5
128.06316	2.0
129.05507	2.4
129.07025	17.8
131.08568	28.8
133.06473	4.8
133.10138	36.1
135.08035	5.3
135.11710	11.9
137.09651	3.0
142.07777	5.9
143.08641	3.9
145.10115	18.5
147.08044	5.8
147.11670	29.7
149.09604	23.8
149.13283	11.0
151.11229	3.7
153.09137	2.1
157.08951	3.0
157.10126	24.4
159.11693	13.9
161.13254	3.7
163.11163	11.8
165.12735	6.1
171.08044	2.2
171.10178	3.0
171.11604	3.9
173.04457	2.5
173.13232	5.4
175.11153	20.4
177.12769	5.4
179.14311	3.6
185.13261	2.2
189.11266	8.1
193.12251	63.1
195.13901	2.7
197.13335	3.0
211.13297	94.0
227.12790	26.1
229.14436	2.4
229.19478	3.4
239.17978	4.1
247.20665	3.7
255.15979	8.6
257.19043	12.5
267.15921	42.2
267.18643	3.3
269.17468	20.3
275.20053	44.5
285.16974	100.0
293.21045	4.1
321.24396	2.2
331.22528	4.0
349.23743	49.0
367.24789	5.2
381.22678	3.4
387.25409	2.6
413.21594	2.4
437.25146	4.4
439.26718	5.6
447.27713	11.2
455.26474	5.7
461.28937	25.1
465.28430	15.1
479.30081	72.2
480.30350	2.9
499.69730	2.2
501.32166	3.1
536.82050	2.4
541.35107	24.9
559.36316	65.5
577.37177	7.9
623.34619	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	774.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.1
55.05512	34.2
57.03441	25.2
57.07079	2.5
61.02915	5.4
65.03929	4.0
67.05506	76.6
69.03422	10.9
69.06737	2.3
69.07072	30.4
71.04988	9.2
73.02903	3.2
76.63150	1.2
77.03933	1.2
79.05493	67.2
81.03421	79.4
81.07059	93.4
83.04981	25.6
83.08618	36.9
85.02904	31.5
85.06531	5.9
90.54832	1.2
91.03952	2.6
91.05482	65.5
92.57284	1.1
93.07046	63.6
95.04974	37.2
95.08613	36.8
97.02898	10.8
97.06538	20.0
97.10178	10.0
98.21622	2.4
99.04430	1.8
99.08092	5.3
103.05492	1.9
105.04530	2.2
105.07034	52.8
105.21482	1.3
107.04964	15.7
107.08598	40.6
109.02856	2.0
109.06507	12.3
109.10162	13.0
111.04433	3.8
111.08076	16.3
113.06004	3.6
115.05433	3.6
117.07026	16.9
118.37141	1.1
119.08587	43.2
121.06561	7.5
121.10141	23.0
123.08109	5.9
123.11680	5.8
125.09623	5.3
127.03918	2.8
128.06232	1.6
129.07011	19.1
130.07806	1.6
131.08572	30.7
133.06480	4.4
133.09134	1.8
133.10141	32.6
135.08023	5.1
135.11679	15.6
136.26791	1.3
137.09612	3.2
139.11139	1.3
141.07036	2.8
142.07761	4.2
143.08568	3.9
145.06425	1.5
145.10118	18.2
147.08038	4.1
147.11693	28.2
149.09634	15.8
149.13245	12.1
151.11192	4.0
155.08629	2.8
157.10147	22.7
159.11694	14.5
161.13284	4.4
163.03896	2.0
163.11221	8.3
165.12753	5.7
169.10097	2.9
171.11678	2.7
173.04486	2.2
173.13309	4.1
175.09785	1.7
175.11195	19.8
177.12730	4.4
181.12279	2.9
183.11725	1.5
184.07323	1.7
185.13290	1.6
189.11311	3.0
189.12801	1.4
193.12254	50.7
195.11792	1.3
195.13811	5.4
211.13297	68.6
213.23178	1.1
227.12746	2.9
229.14352	1.7
229.19345	1.3
239.17978	3.3
249.14958	1.6
253.14143	1.6
255.15919	11.9
257.18939	7.2
267.15927	36.2
269.17480	36.5
273.18600	1.5
275.20062	20.1
285.16971	63.9
293.21170	2.7
304.84787	1.3
331.22736	2.4
349.23779	18.0
367.24814	5.2
413.21613	1.9
439.26871	2.4
443.27795	3.4
447.27374	9.8
455.26819	1.5
461.28973	33.2
465.28506	17.0
479.30054	100.0
480.30533	1.7
541.35327	13.1
559.36340	22.4
565.47925	1.4
565.56726	1.4
577.37793	7.4
623.33795	3.9
775.38080	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.5
55.05276	3.6
55.05514	44.6
56.81938	2.0
57.03439	22.7
61.02914	8.7
64.50761	1.9
65.03934	6.2
67.05508	62.8
69.03433	15.4
69.07072	32.7
69.90736	11.5
71.01338	2.9
71.05001	10.2
71.08634	24.7
79.05497	65.8
81.03422	65.5
81.06596	4.2
81.07062	81.8
82.07397	3.1
83.01357	4.3
83.04984	27.2
83.08628	32.3
85.02909	28.3
85.06519	6.2
86.09698	2.3
87.04428	2.5
91.03931	3.1
91.05488	70.5
92.05823	3.7
93.07044	65.7
94.07350	4.6
95.04975	35.3
95.08607	38.8
96.24268	1.9
97.02911	11.1
97.06525	10.7
97.10181	17.9
99.04431	5.8
99.08105	17.1
103.05471	3.3
105.07035	61.9
106.07409	4.4
107.04968	13.0
107.08594	36.9
109.02829	2.4
109.06533	9.9
109.10159	19.2
111.04462	4.9
111.08072	12.9
111.58968	2.9
113.05999	2.8
113.09629	2.5
115.05453	3.1
117.07031	16.4
119.07817	3.8
119.08588	42.5
121.06498	10.7
121.10153	20.4
123.08038	9.1
123.11681	3.4
125.09633	14.3
127.03876	4.8
129.05460	2.5
129.07033	15.2
131.08572	28.0
133.06433	4.8
133.10127	38.2
134.10431	2.8
135.08116	4.7
135.11702	15.0
137.09552	6.2
142.07753	2.3
143.08572	6.2
145.06529	2.2
145.10139	22.5
147.08032	5.8
147.11699	26.3
149.09601	6.1
149.13232	6.8
151.11174	14.9
155.08511	2.6
157.10153	16.1
159.11697	8.5
161.13263	10.0
163.11166	22.1
165.12694	3.5
171.11673	5.7
173.13173	3.5
175.11195	14.8
177.12769	4.3
179.14322	5.7
183.11604	2.9
184.07278	8.7
185.13287	6.1
189.11165	5.6
193.12260	40.0
195.13824	5.1
209.11670	4.2
211.13300	44.0
212.13617	4.7
215.17989	2.4
219.13849	2.5
226.09949	2.3
227.12793	21.1
231.20970	2.6
241.19531	5.6
253.14348	8.0
254.14598	3.3
257.19012	4.4
259.20615	13.7
267.15961	27.6
269.17535	10.9
273.18301	2.7
275.20013	12.3
277.21594	13.4
283.15460	46.8
285.16977	48.1
286.17319	4.5
293.21121	100.0
294.21234	2.4
301.16504	2.7
333.24307	9.9
349.23676	5.8
351.25333	22.8
365.22943	2.0
367.24847	29.5
389.18170	2.9
437.25021	2.4
453.24680	7.8
459.27374	3.6
461.28827	7.4
477.28586	26.7
479.29791	7.4
495.29294	4.7
515.37024	2.2
517.98468	2.4
525.35815	4.0
541.35046	3.7
543.36829	10.2
544.29254	2.2
559.36371	58.3
577.37335	45.5
577.45996	2.0
717.74219	2.1
775.38983	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	773.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	2.8
67.05508	6.5
69.03438	5.9
71.54069	4.3
75.36010	2.3
79.05493	3.7
79.25743	2.7
81.03407	2.9
85.02920	11.2
91.05490	40.0
95.04977	6.7
97.02889	5.6
98.97607	12.0
99.00818	4.2
106.65018	2.2
107.04942	2.4
116.98601	3.6
119.04958	71.7
120.75755	2.3
123.04445	5.8
125.22968	2.3
127.03933	5.6
131.03410	5.4
133.06506	13.7
135.04430	4.7
136.92242	2.6
137.05930	2.3
143.01906	5.9
145.02841	4.9
147.04417	100.0
148.04799	3.1
158.99667	8.7
161.02986	6.6
161.05975	22.4
163.03909	19.3
164.04221	2.8
165.05481	9.2
175.03922	24.4
176.04179	2.5
177.00731	3.3
177.05502	2.9
179.07076	14.6
189.05479	36.2
190.05801	4.6
193.04987	10.2
203.04004	3.0
207.06544	85.0
208.06856	3.7
219.01768	6.7
225.07588	24.8
237.02701	4.9
258.80710	2.7
264.89081	2.4
330.04169	2.6
344.04956	2.8
360.10562	2.9
368.10629	4.6
368.60422	7.4
369.11127	10.9
393.10541	3.0
424.11081	2.6
443.08649	2.9
487.13171	3.6
492.57751	2.6
500.80573	2.4
737.69604	2.5
773.28241	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
63.68203	0.7
65.03941	2.4
67.05505	3.5
69.03433	1.1
79.05502	6.4
80.16846	0.6
81.03409	1.3
85.02897	1.9
91.05479	37.0
95.04980	4.5
97.02856	0.8
99.00824	5.3
103.03960	0.7
103.05474	2.0
105.07015	0.7
107.04948	1.2
109.02859	1.0
118.04184	0.8
119.04944	81.6
119.18253	0.6
120.05313	0.7
121.06512	0.9
123.04418	5.1
127.03951	0.8
129.03357	2.7
131.03419	6.9
131.04932	1.1
133.06493	13.6
137.06001	1.1
139.03915	0.9
145.02846	1.3
145.04893	1.1
147.04411	100.0
148.04759	2.0
149.05919	1.9
151.07541	1.1
161.04637	1.3
161.05981	25.0
161.07271	1.4
165.05486	6.0
175.03899	11.2
177.05507	1.9
179.07034	17.5
179.08560	1.4
189.05463	15.6
190.05835	2.4
191.08548	1.0
193.04970	9.8
205.04901	1.3
207.06534	82.2
208.06827	1.6
219.08003	0.8
225.07576	10.9
227.03729	0.9
247.07538	1.7
251.06950	0.8
265.08694	1.1
265.45093	0.7
275.07108	1.1
293.08051	1.3
303.06583	1.0
322.92419	0.7
337.08926	0.7
353.10269	1.8
355.10129	1.3
363.08466	1.2
381.09650	3.0
395.10950	1.6
399.10999	1.9
399.27411	0.7
413.12268	1.5
575.17780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05500	0.3
57.03442	2.6
59.04983	0.2
61.02932	1.9
65.03951	0.2
67.05501	0.4
68.99796	0.3
69.03430	5.4
70.06599	0.8
71.04996	9.1
71.55309	0.2
72.08106	0.2
73.02924	1.3
75.04477	0.6
79.05508	0.2
81.03419	1.8
82.33379	0.2
83.04980	0.8
84.04507	0.3
84.08144	0.7
85.02906	23.8
85.06495	0.2
86.09700	0.5
87.04466	1.3
90.44046	0.2
91.03958	0.6
91.05484	0.6
93.03402	0.2
97.02892	4.4
98.97568	0.2
99.04463	1.0
99.08103	0.3
101.02338	0.2
103.03956	0.6
107.05023	0.2
109.02881	1.6
111.00813	0.5
111.04410	0.5
115.03906	0.5
119.04995	0.3
121.02879	0.9
127.03921	3.1
129.05489	2.5
135.04437	0.3
136.07594	0.5
137.02327	1.7
145.02867	0.5
145.04948	2.3
146.08177	0.2
147.04437	0.8
147.06502	0.7
149.02365	0.4
151.03944	0.2
153.01823	1.8
159.04344	0.2
163.03905	1.0
165.01825	1.5
167.07056	0.3
175.03929	0.3
183.02895	0.7
189.05479	0.5
193.04941	0.3
193.15860	0.3
195.02937	0.2
201.05466	0.9
207.06503	0.5
213.05562	0.2
215.03343	0.2
219.06625	0.4
229.04974	2.5
245.04579	0.2
247.05997	0.5
257.04446	1.8
274.04654	0.5
275.05496	0.4
285.03940	1.0
301.03299	0.2
302.04175	1.0
302.07175	0.2
303.04990	100.0
304.05234	1.6
327.04971	0.5
345.06113	2.0
354.14365	0.2
363.96957	0.2
388.63843	0.2
418.92999	0.2
449.10800	0.3
465.10309	32.0
466.10327	0.7
508.88531	0.2
678.26086	0.2
773.26563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2135
Annotation	Quercetin 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01865	0.6
55.05502	0.2
57.03442	2.7
59.19619	0.2
61.02928	1.6
65.03945	0.2
67.05507	0.3
68.99779	0.4
69.03431	5.8
70.06591	0.7
71.01355	0.4
71.04997	8.6
71.55260	0.3
72.08134	0.2
73.02908	1.3
75.04469	0.4
79.05468	0.2
79.35942	0.2
81.03423	2.1
83.04988	0.8
84.04522	0.3
84.08156	0.5
85.02908	23.9
86.03227	0.2
86.09711	0.2
87.04471	1.3
91.03955	0.8
91.05491	0.8
97.02898	4.0
98.97563	0.3
99.04456	1.1
101.02386	0.3
103.03956	0.5
107.05006	0.2
109.02885	1.8
111.00808	0.5
111.04385	0.4
113.79196	0.2
114.79613	0.2
115.03950	0.5
119.04941	0.6
121.02877	0.8
127.03927	3.0
129.05486	2.5
129.10223	0.2
135.04422	0.3
136.07584	0.6
137.02347	1.8
137.06050	0.2
145.02858	0.3
145.04974	2.0
147.04413	0.7
147.06493	0.6
149.02327	0.3
153.01817	2.1
161.06058	0.3
163.03877	1.1
165.01808	1.1
166.02713	0.3
173.06052	0.2
175.03865	0.3
177.02019	0.2
177.05528	0.4
183.02995	0.5
189.05507	0.5
193.15952	0.2
195.02837	0.3
201.05473	0.8
207.06523	0.5
219.06523	0.4
229.04959	2.5
245.04561	0.3
247.06049	0.5
257.04453	2.0
274.04681	0.8
275.05643	0.5
285.03976	1.2
301.03558	0.4
302.04092	0.8
303.04996	100.0
304.05438	1.6
313.03583	0.2
315.04691	0.2
327.05219	0.6
339.04779	0.2
341.24203	0.2
345.06113	2.1
449.10873	0.3
465.10324	30.0
466.10556	0.9
561.21515	0.2
773.28009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	17.7
55.05519	57.2
56.36464	1.6
57.03181	2.7
57.03443	25.2
57.07072	2.2
59.05007	4.5
61.02921	6.0
65.03922	5.1
67.05511	80.9
69.03436	20.9
69.07074	49.7
69.33743	3.2
69.34149	11.7
71.01350	2.6
71.05009	11.1
77.03905	1.7
79.05499	83.1
79.55067	1.6
81.02937	2.4
81.03421	51.8
81.07063	86.3
83.01367	9.4
83.04989	31.4
83.08626	39.1
85.02920	25.2
85.06530	4.7
91.03954	4.4
91.05491	67.4
93.07050	74.5
95.04984	33.7
95.08614	38.5
97.02902	14.5
97.06548	23.4
97.10178	23.1
99.04446	4.0
99.08085	2.8
103.05443	2.9
105.07042	60.1
107.04967	25.2
107.08610	53.8
107.09348	1.1
109.02863	3.2
109.06525	14.8
109.10170	17.9
111.04434	4.4
111.08101	9.4
113.06027	2.8
115.05457	2.7
117.07031	27.5
119.08585	47.4
121.06525	8.4
121.10147	27.6
123.08078	16.1
123.11705	4.3
125.09646	19.0
127.03897	3.0
129.05525	2.1
129.07010	12.7
130.07788	4.2
131.08583	29.2
133.06485	6.0
133.10138	33.2
133.40160	1.7
135.08064	9.6
135.11693	27.0
137.09637	4.8
141.06979	2.1
142.80583	1.7
143.08566	7.1
145.06485	2.7
145.10139	34.3
147.08037	11.2
147.11696	24.3
149.09653	19.3
149.13274	8.0
151.11209	4.0
153.09045	2.1
153.12726	3.2
155.08583	4.6
157.10139	14.0
159.11684	16.3
161.09625	4.1
161.13293	3.3
163.11208	35.7
165.12790	4.2
169.10194	2.7
171.11644	2.9
173.04482	3.3
173.09637	4.8
173.13271	4.1
175.11241	10.2
177.12805	4.3
179.14383	3.6
181.12299	5.4
183.11670	2.4
185.13281	3.0
187.11075	2.0
189.11209	7.5
189.12729	2.0
191.10600	4.5
193.12230	23.7
195.13785	3.8
205.12277	2.2
209.11751	9.0
211.13293	38.1
223.13313	12.2
227.12794	38.3
229.14514	2.5
236.77112	2.0
239.17859	2.6
249.14807	4.9
255.15936	9.8
257.19037	12.2
267.15915	27.2
269.17474	18.6
273.18567	11.6
275.20081	31.3
283.15417	100.0
285.16992	38.6
291.19562	75.3
293.21112	3.1
309.20831	3.2
331.22693	3.3
349.23764	43.4
365.23273	40.2
367.24832	2.5
413.21597	1.9
437.25250	5.3
438.97327	1.8
445.25604	3.3
453.24854	7.3
459.27304	4.3
461.29205	2.7
463.26996	25.3
477.28537	90.2
493.27615	2.0
501.28549	2.4
517.31335	3.1
529.35309	2.8
539.33655	7.1
557.34802	84.2
575.35785	68.9
576.36060	1.8
578.92804	1.8
597.29041	1.9
682.50720	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.7
55.05509	21.7
57.03439	15.2
57.07063	1.6
59.04991	3.0
61.02929	5.1
61.03214	1.1
65.03914	1.7
67.05505	45.8
67.98331	1.1
69.03423	8.1
69.07069	16.0
70.37064	2.4
70.37421	1.7
71.01331	3.0
71.04993	7.2
72.28256	1.1
73.02885	2.4
79.05019	1.5
79.05492	42.1
81.03425	23.5
81.07058	62.7
83.01329	5.9
83.04990	13.2
83.08625	17.4
85.02910	8.9
85.06532	3.4
91.05482	34.6
93.07046	45.8
93.07639	2.0
95.04967	14.4
95.08067	1.9
95.08613	22.1
97.02903	6.6
97.06523	11.9
97.10151	4.3
99.04442	2.4
103.05469	1.8
105.07041	26.5
107.04948	10.7
107.08598	28.9
109.02853	2.1
109.06533	10.8
109.10147	11.0
111.04429	2.7
111.08076	6.2
115.05445	1.3
117.07018	14.4
119.08575	19.7
121.06490	5.9
121.10146	17.3
123.08063	8.2
123.11721	3.3
125.05955	2.1
125.09613	3.0
127.03905	1.7
127.07468	1.3
129.07036	5.9
130.07753	1.7
131.08560	14.8
133.06551	1.6
133.10138	23.4
135.08093	5.8
135.11685	17.1
137.09641	2.0
137.94759	1.1
139.11087	1.5
139.52319	1.0
143.08540	4.3
145.06468	2.1
145.10118	20.5
147.08072	4.9
147.11705	7.0
149.09625	8.0
149.13242	7.1
151.11188	5.8
153.12714	1.9
155.08548	2.8
157.10114	3.8
159.08009	1.4
159.11687	7.3
161.13263	1.5
163.03822	1.3
163.11188	23.1
165.12727	1.3
171.11688	1.9
173.04372	1.9
173.09584	2.4
173.13280	2.6
175.11143	3.5
177.12747	2.2
179.14264	1.3
179.97147	1.1
181.12199	4.1
183.11591	1.0
189.11201	1.3
191.10703	2.2
193.12256	5.8
195.13789	3.3
209.11734	7.1
211.13249	5.1
213.12900	1.2
227.12788	7.0
233.15370	1.7
239.17963	1.4
247.20622	1.4
253.14351	6.3
255.15852	7.5
257.18924	4.9
265.14392	2.0
267.15915	6.5
269.17480	25.9
269.31467	1.2
273.18433	4.0
275.20071	13.1
283.15405	76.4
284.15714	1.4
285.16940	4.6
291.19571	6.3
293.21021	1.3
303.16031	1.1
347.06049	1.3
347.22089	2.5
349.23846	13.0
365.23334	5.3
367.24759	2.9
377.19659	1.0
413.21909	2.1
437.25189	1.7
445.25598	1.8
459.27191	2.9
463.26877	21.6
477.28479	100.0
478.28568	3.5
481.27936	2.4
539.33795	2.4
557.34698	23.6
575.35815	17.5
575.44153	2.2
621.32324	3.1
623.95160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.5
55.05275	1.4
55.05514	20.9
57.03439	9.1
57.07061	1.4
59.04990	1.1
61.02918	2.4
65.03934	3.1
67.05504	54.3
69.03436	7.8
69.07071	17.6
70.04360	1.6
70.04771	2.7
71.01333	1.2
71.04990	5.5
73.02921	1.4
77.03959	1.0
79.05495	42.4
81.03419	45.1
81.07054	59.4
83.04985	18.3
83.08149	1.2
83.08617	17.1
85.02911	13.7
85.06538	5.2
87.04465	0.9
91.03925	1.6
91.05482	62.7
93.07042	38.0
93.07641	1.9
94.07375	0.9
95.04972	22.4
95.08607	19.3
97.02891	3.5
97.06561	7.3
97.10169	6.1
98.20850	1.0
99.04486	2.1
99.08065	2.2
103.05482	1.3
105.04556	1.5
105.07032	45.5
107.04958	12.5
107.08593	34.2
109.06528	9.5
109.10158	40.2
111.04432	2.4
111.08080	7.8
111.60637	0.8
113.06029	2.2
115.05439	2.4
117.07012	7.8
117.67842	0.9
119.04971	1.6
119.08574	22.0
121.06511	9.3
121.10150	9.1
123.04411	1.0
123.08067	5.4
123.11710	7.5
125.09647	3.0
127.03883	1.1
127.07567	3.0
128.06198	1.5
129.06998	10.7
131.08572	17.8
133.06471	4.6
133.10132	62.8
135.08057	7.8
135.11720	4.9
137.09636	4.0
138.40440	0.9
139.11191	0.8
141.06972	1.0
142.07741	2.5
143.08569	5.1
145.06422	1.0
145.10130	8.4
147.08029	5.6
147.11681	11.4
149.09631	10.0
149.13310	1.2
151.11192	22.0
157.10130	11.7
159.08139	2.0
159.11687	3.3
161.09637	5.9
161.13252	1.4
163.07536	1.3
163.11183	3.6
165.12793	2.8
169.12204	5.0
171.11661	2.9
173.09608	1.5
175.11197	11.7
175.16113	0.8
177.09151	2.5
177.12709	0.9
179.10677	2.1
184.07343	1.7
185.13332	1.0
189.12793	1.8
191.10687	0.9
193.12233	28.7
195.11882	1.0
195.13741	1.2
211.13290	42.1
215.12773	2.9
223.13292	2.5
227.12701	1.3
227.17900	1.0
229.14336	0.8
245.19019	3.4
249.14873	1.2
251.12839	2.1
253.14354	100.0
254.14731	1.4
255.17426	1.9
263.17154	0.9
263.20038	3.0
267.15887	13.7
267.18610	1.6
269.13901	0.9
271.15460	2.7
273.15518	1.3
273.18488	22.9
275.20203	1.8
283.15414	3.1
285.16962	28.2
291.19534	28.6
292.20224	1.1
293.21173	1.0
301.12860	0.9
309.20615	1.1
329.20990	1.5
347.22192	8.6
365.23227	30.9
366.23517	1.0
422.41782	0.9
445.25812	3.8
461.25269	1.1
463.26962	14.8
465.29526	1.5
477.28372	2.9
481.27899	9.2
483.30692	0.9
495.29565	1.6
539.33917	4.4
556.84534	0.9
557.34723	25.5
575.35767	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	11.4
55.05276	1.8
55.05512	33.1
56.96564	2.0
57.03439	21.7
59.05001	30.2
61.02903	2.2
61.16035	1.4
65.03919	4.7
67.05506	87.2
69.03419	6.0
69.07073	15.4
71.01358	2.6
71.04993	17.6
71.11584	1.4
71.55920	2.4
71.56284	1.7
73.02934	1.7
77.03908	1.9
79.05495	51.5
81.03420	100.0
81.07057	47.6
82.46351	1.6
83.04979	19.5
83.08154	2.4
83.08618	27.9
85.02904	9.2
85.06528	6.9
85.77261	1.5
87.04468	27.3
91.05484	46.5
93.03378	1.7
93.07043	37.4
94.07427	1.8
95.04969	39.7
95.08614	25.0
96.87973	1.4
97.02889	12.0
97.06528	10.4
97.10169	20.3
99.04449	11.0
99.08081	2.2
103.04004	1.6
105.07032	32.2
107.04958	21.8
107.07896	1.7
107.08604	28.4
109.02843	3.3
109.06501	8.7
109.10160	52.1
111.04461	10.5
111.08079	16.0
115.05460	2.0
117.07010	13.7
119.04906	2.5
119.08582	29.7
121.02888	3.0
121.06494	11.2
121.10134	21.8
123.04420	6.2
123.08070	7.4
123.11751	2.9
125.06006	2.7
125.09629	14.8
129.06996	20.8
131.08562	22.5
133.06490	5.2
133.10133	16.8
135.04405	6.7
135.08054	7.9
135.11714	8.8
137.05991	5.0
137.09644	2.8
140.10698	2.1
141.07019	2.1
142.07776	2.9
143.08553	6.4
145.06471	3.1
145.10121	13.0
147.04451	3.4
147.08022	10.1
147.11711	16.2
149.05933	2.6
149.09604	24.5
151.07521	1.9
153.09131	7.2
153.12759	10.6
155.08542	2.9
155.10640	3.8
157.10110	16.4
159.07994	2.3
159.11665	2.4
161.05983	4.6
161.09619	3.2
163.03867	2.2
163.11186	14.6
165.12753	3.2
167.08510	1.7
167.10722	2.3
169.10110	2.9
171.07893	1.8
171.11659	2.6
173.09624	5.4
173.11732	8.4
173.13037	1.9
175.11197	15.5
181.12213	8.7
184.07303	3.6
185.13264	3.7
187.11197	2.6
189.09685	1.6
189.11200	11.3
191.10667	6.6
193.12241	52.8
197.15367	2.3
199.13260	7.9
201.12733	2.1
203.14426	2.2
205.12117	2.6
207.13713	1.9
209.11713	14.5
211.11386	2.2
211.13277	47.5
213.12772	2.4
217.12282	3.2
217.14264	2.7
219.13757	3.0
221.15239	2.8
223.13223	3.1
225.14790	7.8
227.12767	23.6
229.12094	3.6
229.14317	36.0
231.13725	4.9
235.13264	5.4
241.14363	3.4
247.13232	7.8
249.14886	16.0
253.14378	2.6
263.16446	1.8
267.09274	3.1
267.15924	63.1
273.14691	2.0
275.12683	2.0
277.14313	2.5
283.08578	1.9
283.15488	17.2
289.14517	1.7
290.30841	1.5
309.16943	4.0
315.17926	4.9
323.10767	3.4
333.18674	1.9
337.21561	4.9
347.20206	1.8
355.22556	9.1
365.20886	9.6
373.23599	4.6
383.22150	26.8
386.13696	2.1
401.23157	20.5
403.24774	2.4
409.25946	2.6
415.24673	6.0
419.24191	2.8
421.25882	32.1
429.26007	2.8
433.25778	9.5
436.16809	8.2
436.66794	2.5
447.27832	3.5
457.25928	9.0
463.26871	3.3
475.26868	27.7
477.28824	1.7
489.28516	2.0
493.27640	8.7
503.44656	1.8
506.76736	1.9
507.29538	26.7
525.30701	12.6
529.26855	2.2
651.32983	1.8
772.39288	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73388	0.7
55.01896	1.6
55.05513	9.5
57.03446	5.4
57.07079	1.9
58.08615	0.8
59.70761	0.9
61.02931	12.2
61.76829	0.8
63.25173	0.8
65.03955	1.5
67.05510	19.6
69.03431	8.0
69.06788	0.9
69.07079	8.9
71.00124	1.8
71.01334	0.9
71.05009	2.0
71.08611	1.0
73.02924	7.9
78.20576	0.8
79.05499	12.4
81.03423	4.3
81.07056	18.6
83.04981	1.6
83.08618	6.0
85.02919	11.9
91.03936	5.4
91.05492	12.1
92.67464	0.9
93.07047	13.5
95.04992	2.3
95.08611	19.3
97.02894	10.2
97.06520	2.9
97.10190	3.4
99.04462	1.2
99.08115	0.9
101.02383	1.8
103.03970	0.9
105.07043	11.7
107.08609	9.7
109.02835	1.3
109.06537	1.5
109.10184	7.2
109.16372	0.8
111.08092	1.3
115.05469	1.4
117.07024	6.6
119.08599	11.7
121.09411	1.0
121.10164	5.6
121.41116	0.8
123.08052	0.9
123.11706	2.3
125.09667	1.5
127.03947	2.1
128.06229	2.8
129.07001	6.9
131.08569	12.1
133.10146	5.5
135.11687	4.2
141.07022	4.1
142.07811	1.1
143.08582	9.4
145.10124	10.5
146.09396	0.9
147.11639	5.1
149.13249	1.6
155.08585	8.5
156.09320	1.2
157.10150	9.8
159.11723	7.0
161.13307	2.3
163.14809	1.2
165.07095	1.2
167.08611	4.6
169.10176	10.2
171.11696	10.1
173.13217	4.6
175.11169	1.2
175.14854	1.6
181.10139	6.6
183.11690	10.2
184.07423	1.3
184.12608	1.3
185.13281	6.7
187.14824	2.2
189.16493	1.2
193.10181	2.5
195.11650	5.0
197.13286	6.0
199.14809	4.9
201.16400	1.8
207.11755	2.8
209.13239	6.9
211.14857	4.9
213.16434	2.7
215.18010	1.1
221.13312	2.5
223.14856	3.8
225.16388	3.1
227.18076	2.4
235.14896	2.1
237.16373	2.4
239.17995	2.1
247.14847	1.1
249.16422	1.3
251.17966	2.1
253.19617	1.1
263.17911	1.3
265.19760	0.9
283.14490	1.0
297.22717	0.9
311.23444	1.1
337.25363	1.2
379.26166	1.1
423.29095	0.9
435.32422	1.1
442.46744	0.8
447.32788	1.4
473.32858	1.3
515.37061	1.2
517.40588	6.5
527.37317	1.3
535.41241	2.7
539.36902	2.1
541.38483	1.5
545.38196	8.1
591.44293	6.5
607.43207	2.4
609.45160	100.0
610.45581	3.9
621.45050	1.2
686.17206	1.1
735.47980	1.2
753.48816	2.8
771.51666	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	771.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
55.25882	0.2
61.02906	0.4
63.02374	0.5
67.05483	0.3
67.09183	0.2
68.99803	0.2
69.03429	0.5
70.06604	0.3
71.04993	0.3
71.55761	0.3
76.00565	0.2
78.04698	0.4
79.05476	0.5
81.03408	0.4
81.07053	0.2
83.04984	2.1
85.02911	1.2
86.09718	0.2
88.59510	0.2
89.03915	4.1
91.05485	1.7
93.07038	0.3
95.04970	0.3
97.02892	0.5
97.06509	0.4
103.05476	0.3
105.07022	0.2
106.04198	0.2
107.04966	0.3
109.02909	0.2
111.04453	1.0
117.03381	14.0
119.04929	2.8
119.08581	0.4
121.02869	0.8
121.06489	0.4
123.04384	0.2
127.03862	0.3
129.05460	0.3
131.08499	0.3
133.02832	0.7
134.03609	1.1
135.04419	1.3
137.02338	0.5
137.06084	0.2
145.02846	46.8
146.03159	0.6
147.04411	14.9
149.05980	5.9
153.01811	1.2
157.06505	0.2
158.06006	0.3
161.05896	0.3
162.03249	0.2
163.03905	1.8
163.14932	0.2
165.01860	0.6
165.05507	0.2
167.06992	0.4
175.07510	0.2
177.05466	100.0
178.05814	1.4
181.04935	0.3
186.05452	1.2
189.05460	0.8
195.06548	0.7
201.05438	0.3
207.06425	0.4
213.05356	0.3
216.95338	0.2
241.04898	0.4
241.08694	0.3
258.05322	0.4
287.05499	31.1
288.05780	0.6
293.10236	0.9
302.04230	0.4
303.04858	0.5
317.06531	3.6
323.11249	12.6
435.07132	0.4
771.26550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.2
55.05270	1.2
55.05513	15.2
57.03434	5.8
57.07063	2.0
59.04985	2.3
60.96233	0.9
61.02909	3.1
65.03942	1.8
67.05503	39.0
67.91202	1.0
69.03420	3.6
69.07064	10.5
71.01343	1.2
71.04983	7.0
71.56445	1.2
73.02892	1.3
75.60519	1.1
79.05491	30.4
81.03412	9.8
81.07053	39.4
83.01345	4.1
83.04983	12.8
83.08620	9.2
85.02913	4.8
85.06528	5.1
91.03963	1.0
91.05480	39.0
93.07043	37.4
95.04979	9.1
95.08605	13.5
97.02871	3.7
97.06512	6.0
97.10140	2.1
99.04439	3.1
105.07033	33.9
107.04960	7.4
107.08592	32.1
109.02927	1.5
109.06524	9.8
109.10158	37.4
111.04422	2.2
111.08051	2.7
113.05998	2.2
117.07010	8.1
118.25517	0.9
119.08575	12.2
120.18480	1.0
121.06515	7.1
121.10126	6.8
123.08071	7.2
123.11681	5.1
125.05963	0.9
125.09608	1.7
127.07534	2.2
128.06200	2.2
129.07001	2.3
131.08562	7.3
133.06479	4.3
133.10129	48.6
135.08067	4.4
135.11685	7.8
137.09654	1.2
141.06944	1.0
143.08549	3.3
145.06438	1.3
145.10136	11.0
147.08034	3.3
147.11644	3.7
149.09621	4.0
151.11185	21.6
153.12688	1.3
155.08501	1.8
157.10175	2.9
159.08064	1.7
159.11658	1.7
161.09575	6.0
162.35085	1.0
163.11192	13.2
169.10085	1.1
169.12207	2.5
171.11665	1.7
173.09560	1.8
175.11133	1.5
177.09102	1.4
179.10623	1.3
189.12756	2.1
191.10568	1.4
200.94360	1.1
209.11746	3.1
215.12791	2.7
227.12766	2.1
237.30219	0.9
245.19008	2.7
251.12834	2.3
253.14340	100.0
254.14578	1.0
255.17564	2.3
263.20032	2.0
273.18469	19.4
275.20102	1.6
281.17667	1.2
283.15393	46.1
284.15622	1.3
291.19577	18.2
311.14908	1.2
329.20755	1.0
347.22076	8.0
353.31628	1.0
365.23218	23.0
378.94110	1.1
440.05130	1.0
475.30331	2.9
477.24872	1.9
479.26382	30.7
480.26746	1.0
493.28165	1.1
502.05331	0.9
504.37238	1.0
534.29248	1.9
555.32916	7.2
573.34229	56.3
574.34656	1.9
680.48053	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.4
55.05514	23.4
57.03435	6.9
57.07045	1.0
59.04973	2.1
61.02892	1.6
61.84480	0.6
65.03934	1.1
67.05507	23.3
69.03437	6.6
69.07075	19.5
69.27719	4.9
71.01328	1.3
71.04961	2.7
72.08968	0.6
77.77323	0.5
79.05497	24.3
81.03420	10.2
81.07059	21.4
83.01342	4.4
83.04986	9.0
83.08620	12.0
85.02915	4.7
85.06548	0.7
91.05485	18.8
93.07048	24.3
93.23791	0.6
95.01315	0.8
95.04964	9.7
95.08614	11.2
97.02905	8.9
97.06548	4.4
97.10169	11.5
99.04435	1.6
105.07041	15.4
107.04955	9.1
107.07890	1.0
107.08595	15.9
109.02855	1.4
109.06528	4.6
109.09479	0.8
109.10161	7.9
111.04433	1.4
111.08057	2.8
116.06229	0.8
117.07032	9.2
119.04917	1.3
119.07807	1.1
119.08583	12.1
121.06514	4.6
121.10159	8.5
123.04424	1.1
123.08073	7.1
123.11646	1.2
125.05963	0.7
125.09640	8.7
125.49855	0.6
128.06195	1.0
129.07021	3.9
130.07787	0.9
131.08574	7.2
133.06464	2.3
133.10159	5.2
134.07239	0.8
135.08081	4.0
135.11700	7.0
137.09592	2.2
139.63124	0.6
143.08521	2.5
145.06494	1.5
145.09077	0.9
145.10136	13.5
147.08070	4.6
147.11678	1.5
149.09608	1.5
149.13242	1.6
151.11171	1.1
153.09126	1.1
153.12717	1.4
155.08542	1.0
157.10095	2.5
159.11626	1.7
161.09607	2.1
161.13203	0.8
163.11179	15.1
165.09167	1.7
169.10115	0.8
171.11682	0.8
173.09599	2.3
175.11140	1.3
177.12695	1.0
181.12218	2.4
185.13242	0.6
189.11209	2.7
191.10681	2.7
193.12271	1.0
195.11841	0.7
195.13763	1.0
205.12204	1.6
207.78383	0.7
209.11734	4.9
211.13300	0.6
217.44252	0.6
223.13304	15.5
227.12813	7.3
227.17894	0.6
249.14882	2.2
253.14337	0.9
255.17567	0.8
267.16010	0.8
273.18506	13.5
283.15399	63.2
284.15686	1.3
288.42490	0.7
291.19547	88.2
292.20010	1.6
309.20877	1.2
347.22165	2.8
365.23239	46.8
366.23694	1.5
453.24863	1.2
475.27054	1.2
493.28018	3.3
541.35028	0.6
555.33112	3.6
573.34241	100.0
574.34479	3.6
591.35437	0.9
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
53.03940	1.0
53.47033	0.5
55.01888	0.6
55.05512	0.9
57.03432	2.0
61.02925	4.1
63.87118	0.5
67.05504	3.3
69.03421	2.9
69.07077	1.2
73.02907	3.1
73.49589	0.5
79.05492	3.6
79.10323	0.6
81.03427	3.3
81.07053	4.5
83.04999	1.0
83.08610	1.3
85.02900	4.9
91.03983	3.0
91.05481	3.9
93.07043	3.6
95.04964	1.4
95.08603	3.2
97.02882	3.4
98.21500	1.8
99.04457	1.1
101.02388	1.4
105.07038	4.0
107.08596	2.7
109.02901	0.9
109.10144	1.0
111.04331	0.6
119.08593	2.7
121.10175	1.7
127.03957	1.1
131.08598	1.6
133.10159	2.3
135.11693	0.7
143.08620	0.5
145.10205	0.8
147.11714	2.0
149.09650	0.7
157.10165	1.0
170.02319	0.7
175.11203	1.2
185.04242	1.0
191.59262	0.6
193.12253	1.3
243.08479	2.6
251.12523	1.3
301.08932	1.0
373.11047	1.6
379.86685	0.7
469.20471	11.5
499.22733	0.7
535.28827	3.5
541.22687	1.3
763.42358	100.0
764.42816	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
54.76656	0.4
55.01895	0.4
55.05513	2.1
57.03443	2.1
61.02932	4.5
63.23560	0.3
67.05508	3.9
68.75748	0.3
69.03426	3.0
69.07063	1.7
70.47927	1.2
71.01332	0.4
71.04989	1.0
71.51099	0.3
73.02917	3.4
73.63132	0.4
79.05493	4.9
81.03416	4.5
81.07059	4.2
83.04981	1.0
83.08630	1.1
83.80009	0.4
85.02439	0.6
85.02916	6.3
85.06538	0.5
86.09706	1.2
91.03943	3.0
91.05482	6.0
93.07040	4.9
95.04993	1.3
95.08607	1.9
97.02894	5.0
97.06574	0.5
99.04463	0.8
101.02392	2.1
105.07058	4.1
107.08579	2.5
109.02903	0.8
109.10183	1.7
111.04452	0.4
111.08084	0.5
119.08599	3.0
121.10165	1.9
121.28153	0.4
123.11729	0.4
125.00050	1.2
127.03947	1.3
129.07043	1.0
131.08607	1.8
133.10136	3.0
135.11716	0.7
136.06293	0.4
143.08611	0.5
145.10135	0.7
147.10011	0.4
147.11725	1.8
149.09547	0.7
151.11244	0.5
157.10172	1.5
159.11697	0.5
161.13460	0.5
175.11220	0.9
184.07335	4.2
185.04265	1.0
185.07780	1.0
193.12283	1.4
203.05113	0.5
211.13264	0.8
243.08365	3.7
251.12624	1.0
253.14348	0.9
259.20581	0.5
261.89185	0.4
301.09085	1.3
307.15118	0.7
315.10535	0.6
317.20724	0.8
343.39716	0.4
385.18228	0.5
443.19040	0.8
469.20462	11.8
535.28754	4.1
541.22479	1.4
541.30322	0.6
763.42365	100.0
764.42963	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	763.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01879	0.7
55.05511	1.0
56.56523	0.3
57.03431	1.6
61.02929	3.4
65.03944	0.4
67.05506	3.5
69.03447	2.0
69.07076	1.1
69.70380	1.3
69.70786	1.0
71.01356	0.6
71.04992	0.7
71.08650	1.8
73.02921	3.0
79.05491	3.4
79.74208	0.4
81.03425	3.9
81.07066	3.9
83.04993	1.2
83.08633	1.6
85.02907	5.3
86.09716	0.6
91.03961	2.0
91.05486	3.5
93.07051	2.9
95.04987	1.8
95.08620	2.5
97.02904	3.6
97.06543	0.7
97.10173	0.6
99.04469	0.8
99.08112	1.6
100.50011	0.4
101.02398	1.3
103.03941	0.4
105.07024	2.7
107.04965	0.5
107.08607	2.4
109.02903	0.7
109.06533	0.7
109.10162	1.1
111.08121	0.4
117.07047	0.5
119.08605	2.4
121.10152	2.0
123.08041	0.4
127.03958	0.9
129.07011	0.8
131.08577	0.9
133.10146	1.6
135.11719	1.5
145.10188	0.7
147.08136	0.6
147.11702	1.1
149.13173	0.4
151.11151	0.8
156.03648	0.6
157.10184	0.7
159.11743	0.4
163.11250	0.6
165.04076	0.4
165.12852	0.5
175.11203	0.9
179.14304	2.0
183.19846	0.4
184.07368	1.2
185.13158	0.4
193.12318	1.3
203.05489	0.4
211.13303	0.6
223.34131	0.4
243.08461	2.8
251.12621	1.2
255.16165	0.6
285.17038	0.4
307.15256	1.0
317.17740	0.7
317.20947	4.4
373.23657	0.6
453.20850	0.9
469.20422	10.7
469.27084	0.5
470.21371	0.6
523.08435	0.4
534.29614	1.1
534.80115	0.6
535.28876	5.3
672.10437	0.5
698.62927	0.4
752.56329	0.4
763.42365	100.0
764.42773	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	763.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43454	0.7
61.02922	0.8
63.48996	0.6
65.03928	0.9
67.96999	0.7
69.03414	2.9
70.12389	2.8
72.64580	0.7
73.02911	0.7
79.05457	0.8
81.03439	1.4
85.02888	2.6
91.05462	3.2
92.52131	0.7
97.02876	1.7
103.05445	1.2
109.02847	0.9
115.05469	3.9
117.07007	1.0
118.07841	0.8
119.04945	5.3
127.03914	1.2
129.03363	11.1
129.06982	0.8
131.04936	1.9
133.06470	0.7
139.03880	1.2
143.04935	7.2
144.05710	30.2
145.02859	1.6
145.06346	1.0
146.07195	1.2
147.04391	5.6
158.99823	0.9
159.04425	11.3
161.05978	4.3
173.05910	1.2
175.03909	1.8
175.07532	2.9
177.05464	1.8
178.07805	0.9
187.03903	4.4
189.05479	68.6
190.06035	1.3
190.07755	1.6
191.07048	1.2
191.08585	1.4
202.06248	34.4
202.07855	3.2
203.07031	100.0
203.08429	3.7
204.07413	1.3
205.04956	3.1
205.06609	1.4
207.06459	1.7
207.08235	0.8
217.04901	1.6
218.07274	2.8
219.08176	1.2
229.06493	8.1
230.07124	2.0
231.08025	3.1
246.06770	3.0
247.07590	2.4
257.05960	6.4
259.07559	3.4
261.09106	2.0
263.07080	2.2
264.07922	0.8
273.05524	1.9
274.06207	2.0
275.06949	3.7
276.07736	1.5
277.08594	2.1
285.05414	1.2
287.07001	2.6
288.07730	1.3
289.08609	14.1
290.09222	2.2
291.06512	1.8
291.10028	1.6
301.08182	0.8
303.06696	1.5
305.07922	1.4
307.09488	1.1
315.06821	0.8
317.08072	36.1
318.08575	2.4
319.09692	2.0
320.06750	1.7
321.07431	2.3
322.07596	1.0
331.06058	1.0
333.07700	0.9
334.07925	1.2
335.09113	1.6
345.07471	5.7
346.08340	1.5
347.09106	1.8
349.10751	7.6
362.08401	0.8
363.08542	1.2
375.08658	1.7
376.09415	1.2
377.10214	51.0
378.10550	2.3
381.11990	7.5
393.09708	3.7
395.11243	2.0
407.11252	10.4
409.12823	5.7
419.11658	0.9
425.12363	37.5
551.13208	1.2
561.82678	0.8
569.14722	1.4
583.15851	2.1
587.17590	11.9
601.16553	0.9
731.18939	2.0
736.23572	0.8
763.21295	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	761.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01871	4.3
55.05510	12.9
57.03432	4.9
57.07085	3.2
61.02929	8.2
62.38130	1.7
65.03957	2.0
65.10711	1.5
66.07443	1.4
67.05505	13.9
69.03431	25.4
69.07072	12.6
69.86972	4.9
69.87386	3.1
71.04990	9.5
73.02922	6.5
77.03915	1.6
79.05495	9.9
81.03419	29.7
81.07060	23.1
83.04996	4.5
83.08620	14.0
85.02908	72.0
90.26455	1.8
91.03965	3.0
91.05476	16.1
93.07050	22.9
95.04973	4.4
95.08614	34.7
96.08138	2.8
97.02899	52.7
97.03529	2.9
97.06543	5.1
97.10176	4.5
98.97606	1.8
99.04456	44.9
101.02401	1.7
103.03947	59.7
105.07040	28.8
107.08607	27.2
109.02885	29.6
109.06500	2.7
109.10167	21.3
111.04482	2.6
111.08117	1.8
115.03965	5.1
117.07038	4.4
117.68704	1.5
119.08579	34.5
119.09371	2.3
121.10145	31.3
121.10928	2.2
123.08138	1.9
123.11750	9.1
125.09716	1.7
127.03921	100.0
129.06998	2.7
131.04900	1.6
131.08583	14.5
133.06494	1.5
133.10139	77.0
134.10597	2.2
135.08176	1.9
135.11713	20.7
137.06020	5.1
137.13269	2.4
139.07520	1.7
143.08601	2.2
145.03087	2.1
145.04965	46.3
145.10138	26.5
147.04445	2.0
147.11699	20.5
149.09677	3.0
149.13251	11.0
153.09132	2.9
157.10136	3.7
159.11710	16.3
159.12685	1.5
161.05943	2.1
161.13257	17.2
163.03967	2.0
163.06041	17.1
163.07425	3.1
163.11285	2.7
163.14862	7.2
165.09120	3.7
167.07138	2.4
169.04994	2.0
169.10123	1.8
171.11786	2.5
173.11870	2.4
173.13200	7.9
175.14812	9.0
177.05516	4.6
177.09068	2.1
177.16457	5.2
179.10674	2.4
181.05028	2.9
185.13303	3.3
187.06032	8.8
187.11278	2.1
187.14850	8.1
189.05579	3.1
189.16389	41.6
191.17952	99.3
192.18379	2.7
199.14908	4.8
201.16388	65.0
203.14767	2.2
203.17969	42.0
203.19759	3.0
205.16064	1.8
205.19588	3.8
211.07599	1.9
213.16441	4.8
215.18054	5.9
217.15891	2.1
217.19603	4.5
219.17476	10.3
227.18033	2.5
229.15938	5.0
229.19521	3.6
245.15506	4.8
247.16928	33.8
249.14832	3.3
249.18605	2.0
253.07130	1.9
265.18011	2.8
271.08151	11.4
281.19058	2.2
283.15311	3.1
285.10199	2.5
289.09335	5.6
307.10382	3.0
311.09491	3.3
324.11798	2.1
329.10394	6.3
391.33755	5.4
409.34839	4.1
413.12500	2.0
425.12250	2.6
437.34085	19.8
437.38782	1.6
453.33786	3.4
455.35202	46.9
456.35864	1.8
461.25613	2.5
479.26761	4.1
483.18198	2.4
501.23236	6.1
545.36102	3.9
563.37390	2.7
657.31384	4.2
725.43634	2.1
743.33801	3.7
761.35297	65.8
762.35150	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	761.408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01869	0.9
55.05512	1.4
56.96543	0.4
57.03438	1.4
59.36806	0.3
61.02931	4.2
67.05504	3.9
69.03443	2.9
69.07068	1.5
69.50014	3.1
69.76415	0.4
71.05011	0.6
72.67949	0.4
73.02931	3.0
76.10108	0.4
79.05486	3.7
80.76070	0.4
81.03423	2.4
81.07053	4.5
81.09736	0.5
83.04996	1.3
83.08623	1.3
85.02913	4.5
86.09694	0.9
91.03966	3.3
91.05493	4.3
93.07034	4.7
95.04958	1.2
95.08637	2.0
97.02892	3.8
97.06527	0.9
97.43998	0.5
98.20721	0.5
99.04465	0.7
101.02386	2.2
103.06002	0.4
105.07031	3.8
107.04974	1.1
107.08610	2.9
109.02889	0.9
109.06481	0.6
109.10162	1.2
117.07024	1.1
119.08571	2.8
121.10166	1.5
123.08105	1.0
124.99995	0.4
127.03951	1.4
129.05507	0.5
129.06979	0.6
131.08609	0.9
133.10124	2.6
135.11716	1.6
143.08565	0.5
145.10184	1.6
147.11697	1.2
159.11736	0.6
161.13271	0.4
163.11168	2.1
171.11684	0.5
173.09682	0.5
184.07356	2.5
185.04205	1.0
189.05479	0.6
191.10715	0.5
203.05328	0.5
243.08421	3.1
247.13402	0.4
249.11000	0.6
253.14383	0.7
254.22694	0.4
283.15561	0.8
294.21933	0.4
298.67026	0.4
301.09033	1.0
317.20981	0.6
431.86859	0.4
465.21072	0.9
467.18884	9.5
535.28894	4.0
539.21259	0.7
761.40784	100.0
762.41516	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	761.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05507	1.8
55.34415	0.7
55.64380	0.6
57.03434	2.0
57.46962	0.7
61.02936	3.8
67.05506	3.8
69.03431	2.5
69.07073	2.4
70.96356	1.4
71.04994	1.2
73.02926	3.5
75.00738	0.7
79.05488	4.0
81.03426	4.8
81.07044	4.7
83.04998	0.7
83.08609	1.8
85.02917	6.2
91.03954	2.3
91.05478	4.5
93.07049	3.0
95.04968	2.1
95.08605	2.2
97.02892	3.2
97.06573	1.2
98.32330	0.6
99.04454	0.8
101.02386	1.3
105.07019	3.5
107.04942	1.1
107.08608	2.2
109.10130	1.4
114.28642	0.6
117.07009	1.5
119.08622	3.3
121.10168	1.5
127.03934	1.6
131.08582	1.3
133.10176	3.3
145.10138	1.7
147.11717	1.8
149.09653	1.1
157.10153	1.1
189.05501	1.7
190.26540	0.6
211.13364	1.0
241.82391	0.7
243.08533	2.5
251.12741	0.8
315.19247	4.8
363.99991	0.7
371.22150	0.9
469.20340	11.6
533.27039	5.7
753.56677	0.6
761.40839	100.0
762.40479	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	761.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01861	0.5
55.05504	1.0
57.03420	1.5
61.02928	4.1
62.72847	0.3
67.05515	3.7
69.03438	2.3
69.07067	1.1
69.58353	0.4
71.01359	0.4
71.04968	0.6
71.08630	1.6
73.02921	2.7
77.05064	0.3
79.01717	0.4
79.05489	2.9
81.03419	3.9
81.07066	3.4
83.01322	0.5
83.04996	0.6
83.08617	0.9
85.02911	4.6
86.09704	0.6
87.04492	0.5
91.03960	2.7
91.05489	2.4
93.07047	4.0
95.04996	1.1
95.08619	2.0
97.02895	3.7
97.06513	0.6
99.04464	0.9
99.08078	0.9
101.02386	1.6
105.07028	1.7
107.04974	1.0
107.08583	2.0
109.02853	0.5
109.06554	0.9
109.10191	0.8
110.15249	0.3
115.03961	0.4
117.07012	0.8
119.08587	1.8
121.06499	0.4
121.10172	1.4
123.08065	0.9
123.33929	0.4
124.99994	0.7
127.03927	1.1
129.06993	0.4
131.08548	0.6
133.10162	0.9
135.11665	1.9
143.08513	0.5
145.10136	1.5
147.11676	0.4
151.11209	0.7
157.10133	0.6
161.13251	0.5
163.11186	2.3
167.29190	0.3
175.14836	0.4
179.14272	1.9
184.07317	2.5
185.04303	0.6
209.11600	0.5
240.32690	0.4
243.08420	2.5
249.29192	0.3
267.16031	0.6
277.21689	0.4
283.15448	0.7
317.20734	3.2
399.63586	0.4
451.19342	0.6
467.18890	9.7
535.28699	5.2
551.28406	0.5
627.87384	0.4
761.40796	100.0
762.41095	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	761.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05505	1.0
57.03434	1.6
59.05000	1.2
61.02925	4.4
65.03956	0.3
67.05506	2.7
69.03423	2.5
69.07069	1.0
69.62908	0.7
69.63309	2.2
71.01361	0.4
71.04987	2.4
73.02908	3.0
78.09690	0.3
79.05506	2.6
79.64558	0.4
81.03419	5.3
81.07063	2.7
83.04987	0.8
83.08636	1.4
85.02898	3.7
87.04470	0.8
91.03965	2.3
91.05477	3.2
93.07038	2.6
95.04973	1.5
95.08613	1.3
97.02881	3.7
97.06509	0.8
98.21542	0.8
99.04464	0.7
101.02401	1.7
101.66371	0.4
101.90889	0.4
102.46951	0.4
105.07049	2.3
107.04989	0.4
107.08578	2.0
109.02885	0.7
109.06516	0.9
111.08083	1.0
112.20858	0.4
115.03979	0.5
119.08631	1.7
121.10142	3.1
123.08051	0.5
127.03945	1.1
129.07014	1.2
131.08557	2.2
131.93796	0.3
133.10144	1.6
142.07869	0.5
147.08127	0.4
147.11678	1.9
149.09578	2.4
157.10187	1.2
175.11214	1.4
189.05557	0.4
193.12251	3.2
197.15398	0.6
225.14902	0.8
233.11626	0.5
241.06937	0.4
243.08391	2.2
253.13992	0.5
267.15866	1.7
268.64114	0.5
277.08145	0.4
283.15192	7.5
285.10281	0.4
287.14603	0.4
339.17807	1.8
441.20877	0.6
469.20718	1.0
483.22003	0.5
501.23062	31.4
599.33856	0.8
761.39270	100.0
762.39893	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	760.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97551	0.9
64.60847	0.9
69.03447	1.8
69.69303	4.6
78.04678	1.0
79.05502	3.2
81.03419	10.9
81.07073	1.0
85.02921	9.5
86.09739	1.0
91.05473	2.6
97.02894	3.1
97.42126	0.8
103.05495	2.0
105.07040	1.2
107.04980	8.1
109.02941	1.4
115.05471	4.1
117.07030	16.0
123.04438	1.6
123.44711	0.8
124.05181	2.3
125.05977	1.3
127.03882	1.2
128.06221	1.7
129.07021	2.5
130.04129	2.2
131.04880	1.4
131.08540	2.3
133.06480	1.1
140.26848	0.9
140.35895	0.9
141.06960	1.3
144.05696	2.9
144.06679	0.9
145.06493	37.2
147.04364	1.9
147.08049	1.0
152.04692	1.1
155.06021	4.3
156.05713	6.2
157.06493	2.0
159.08060	5.4
160.05133	1.2
161.05962	3.4
162.07617	1.7
163.05983	1.0
167.07048	47.2
173.05994	72.6
175.03937	1.2
175.07529	1.8
177.05490	1.1
180.08673	1.5
181.04945	1.7
184.05257	2.3
187.07553	6.7
187.86676	0.9
190.06265	41.4
191.06982	1.9
193.08632	1.2
202.06313	4.2
203.07047	7.3
205.08614	100.0
206.09042	1.2
207.06509	2.2
207.10298	1.0
215.07118	1.4
217.08611	43.6
219.08203	1.1
219.10191	3.4
223.09636	2.4
229.08533	1.2
235.09650	29.0
247.07510	2.0
247.09706	7.1
248.08266	1.3
261.09052	1.1
263.10703	1.0
264.07806	1.6
265.10733	57.2
269.08215	1.7
271.09683	1.8
275.07016	1.2
280.11191	1.0
282.08844	1.3
291.10138	1.6
293.08337	1.3
299.08823	1.0
303.14462	0.9
307.09482	1.4
315.08597	4.6
319.09259	1.2
323.12695	2.2
326.23279	0.9
330.10989	9.4
331.11755	4.0
337.10770	1.8
339.12143	1.3
343.11902	1.1
351.12344	3.7
353.10202	1.3
368.12463	1.0
371.14893	2.7
383.14886	13.9
401.15961	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	759.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
57.03437	2.3
57.07075	2.6
59.06125	0.6
61.02927	5.1
67.05511	7.1
69.03435	3.6
69.07096	1.3
69.30923	2.1
69.31358	3.7
71.04972	1.2
71.08628	2.2
72.97474	0.6
73.02921	3.1
79.05473	0.6
81.03432	1.5
81.07066	2.8
83.08624	1.6
85.02895	4.8
85.06570	0.7
85.10188	1.0
91.03966	3.9
91.05508	1.1
92.08160	0.6
93.07070	1.2
93.54796	0.7
95.08627	2.4
97.02896	4.1
97.10217	0.9
99.04462	1.5
101.02402	1.9
105.07028	0.8
107.08612	0.6
109.10149	9.1
111.08134	0.6
114.99181	0.7
115.03940	0.8
119.08610	0.9
121.10209	0.7
123.11748	0.7
127.03943	1.9
131.08461	0.6
137.09598	0.7
155.10736	0.8
171.49751	0.6
173.11783	2.8
185.04219	1.1
185.27565	0.7
195.09998	1.7
229.14410	2.4
243.08458	2.1
251.12622	0.7
313.27573	2.5
357.90021	0.6
394.58249	0.6
413.17838	16.2
497.30899	9.5
601.89807	0.6
669.41864	100.0
670.42188	4.1
713.44287	0.7
759.44824	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	759.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01880	0.7
55.05513	1.9
56.93860	0.7
56.96534	0.6
57.03432	2.2
61.02925	4.6
62.71056	0.6
63.06142	0.6
65.03941	0.6
67.05508	6.9
69.03430	2.5
69.07077	1.9
69.27119	4.2
69.27548	1.7
71.04979	0.8
73.02921	3.2
79.05489	8.5
81.03416	3.4
81.07057	6.2
83.04964	1.5
83.08626	1.1
85.02905	4.9
85.06588	0.6
86.09701	1.3
89.63446	0.6
91.03947	2.6
91.05473	7.0
93.07039	8.2
95.04978	1.8
95.08611	3.9
97.02887	4.0
97.06532	0.8
97.10188	0.9
101.02394	1.8
105.04528	0.8
105.07038	4.6
107.08582	4.2
109.02873	0.7
109.10168	1.5
111.04444	0.7
117.07059	1.4
119.08561	3.5
121.10151	2.9
123.08093	1.0
127.03936	1.3
129.05518	0.9
129.06996	1.6
131.08591	2.0
133.10110	3.3
135.11700	1.7
140.43575	0.7
143.08569	0.9
145.10132	1.8
147.11728	4.1
149.13263	0.7
157.10017	0.9
159.11731	0.7
161.13275	1.5
171.11697	2.0
184.07388	3.9
200.22139	0.6
203.05573	0.8
235.27603	0.6
243.08501	2.5
247.08908	0.6
247.13052	1.5
259.20663	0.7
267.16058	1.0
269.17514	0.7
293.20984	0.8
301.08875	1.5
315.10681	1.3
335.25827	1.0
366.31479	0.7
373.11334	1.0
401.63828	0.7
465.20984	11.7
495.22354	0.7
535.28851	5.9
537.23358	1.7
544.15991	0.7
544.37134	1.0
557.41833	0.7
669.98218	0.7
759.42889	100.0
760.43268	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2856
Annotation	Rhusemialin B
Peak:m/z	Relative Intensity
53.03956	0.4
55.01865	0.4
56.96577	0.4
57.03438	0.6
63.02399	0.7
67.05515	0.8
68.94770	0.3
69.03446	1.7
69.07072	0.5
70.06581	0.5
70.31300	1.0
71.05003	0.6
75.55529	0.3
79.05499	1.1
81.03425	3.1
81.07076	0.6
83.05015	0.5
85.02908	1.9
89.03922	5.6
91.05486	3.0
93.07056	0.6
95.04961	0.6
95.08624	0.4
96.08144	1.1
97.02905	1.4
97.06541	1.2
98.97614	0.6
103.05491	0.5
105.07016	0.9
106.04186	0.5
107.04958	1.4
107.08582	0.4
109.02894	1.1
109.10160	0.6
111.04446	1.2
115.05491	1.2
116.06180	0.4
117.03384	18.6
117.07054	0.9
119.04969	1.3
121.06528	0.8
121.10152	0.8
123.04449	0.5
128.06250	1.3
129.07025	2.8
131.04956	0.6
131.08578	3.9
133.06494	1.0
133.10129	0.4
134.03635	1.3
135.04398	0.6
137.05997	0.5
139.07614	0.3
141.06993	1.4
142.07797	0.6
143.04922	0.4
143.08592	1.0
144.05716	1.4
145.02855	51.1
145.06503	1.8
145.10094	0.8
146.07275	0.4
147.04434	2.2
149.05988	7.1
151.11188	0.3
153.07036	0.6
155.06038	0.5
155.08591	0.4
156.05713	0.6
157.06506	1.8
157.10068	0.3
158.07301	1.1
159.08067	6.1
161.05989	0.5
161.09605	2.2
163.03886	1.2
163.07561	0.5
167.07040	2.9
169.07661	0.8
170.07295	1.5
171.08051	2.0
173.06007	1.4
173.09544	0.7
174.06831	0.5
175.03925	1.3
175.07574	0.6
177.05473	100.0
178.05882	1.3
181.04956	0.6
181.08679	0.8
186.05518	1.5
187.07549	6.7
189.05478	1.2
189.09097	3.2
191.07112	0.8
193.08632	0.8
195.06566	1.5
199.07536	0.9
201.05574	0.5
201.09050	1.7
203.07069	0.6
204.07828	3.6
205.08603	0.7
206.09402	0.6
207.06581	1.7
215.06978	0.4
216.07832	1.0
217.08629	0.9
218.09453	0.4
219.10144	2.1
221.11766	1.2
231.10181	3.0
233.11737	3.9
234.08841	0.5
237.11256	0.7
249.11229	75.5
250.11537	0.9
251.12776	1.0
259.09613	0.9
267.12256	1.2
307.10098	0.4
321.09598	1.7
339.10736	5.2
351.12378	0.3
355.10516	0.8
367.11618	0.4
385.16492	0.9
425.15994	4.8
476.27283	0.4
561.12915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.05511	22.0
56.05019	1.6
57.03449	10.8
57.07066	2.1
57.84168	1.3
60.08163	6.6
61.02917	1.5
67.05508	36.6
69.03434	3.8
69.06734	1.7
69.07075	16.7
71.04991	5.1
71.07391	4.0
78.52650	1.3
79.05496	38.1
81.03419	41.3
81.07060	40.1
83.04984	12.0
83.08620	17.0
85.02908	17.0
85.06551	3.1
86.09708	32.6
86.10193	2.7
91.03997	2.1
91.05485	52.6
93.07044	43.1
95.04960	18.7
95.08608	25.5
97.02898	2.3
97.06529	4.4
97.10149	3.8
98.98469	2.9
99.08102	2.1
104.10759	4.7
105.07030	53.5
107.04955	6.0
107.08605	24.0
109.06527	5.4
109.10145	8.9
111.04463	3.3
111.08083	6.0
113.06010	1.4
115.05464	2.2
117.07013	10.6
119.08582	43.2
121.06549	2.7
121.10143	16.3
122.06841	1.4
123.08058	2.8
123.11693	2.8
125.00002	20.6
125.09607	3.5
129.07004	17.4
131.08554	22.2
133.06555	2.0
133.10139	32.2
135.11682	11.3
137.09680	1.9
142.07777	2.5
142.27202	1.4
143.08562	7.9
145.10130	13.9
147.11684	32.0
149.09610	5.9
149.13252	5.8
155.08696	1.7
157.10118	16.7
159.11714	10.4
161.13245	14.7
163.11139	3.1
165.12740	3.1
171.10339	1.5
171.11653	7.1
173.09776	1.6
173.11974	1.8
173.13187	7.7
175.11176	10.3
175.14897	7.5
183.11671	1.9
184.07352	100.0
185.13271	7.7
187.14725	2.4
189.11249	2.1
189.12881	1.7
193.12241	27.3
197.13219	1.6
199.14845	4.3
200.60335	1.3
209.13278	2.1
211.13260	31.7
227.12860	3.8
229.14444	2.4
231.21127	2.8
241.19524	13.5
259.20581	37.7
267.15900	13.4
269.17499	2.4
275.19913	2.7
277.21594	1.8
283.15311	2.7
285.16956	39.0
301.21796	1.7
315.23315	4.1
333.24231	35.2
335.25894	2.0
349.24460	1.7
405.24124	2.2
433.31110	5.0
451.32147	3.7
469.33313	3.2
515.37366	2.0
525.35815	20.7
543.36786	55.3
544.37640	1.8
549.72144	1.7
561.36841	2.5
758.42511	7.3
759.39240	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03711	2.3
53.03945	6.4
55.01868	7.2
55.05278	2.7
55.05517	31.9
56.05033	2.4
57.03434	19.1
57.07082	2.6
60.08149	6.6
61.02916	7.0
65.03925	4.2
67.05507	75.5
67.91966	1.9
69.03429	7.0
69.07075	20.7
71.04989	5.6
71.08603	2.6
71.54546	2.9
73.02912	2.3
75.74807	2.1
77.03953	2.5
79.05497	79.8
80.65077	1.9
80.65565	1.9
81.03424	55.3
81.06596	3.9
81.07058	64.5
83.04984	18.5
83.08623	27.1
85.02908	24.1
85.06524	4.3
86.09715	28.3
91.03961	2.8
91.05482	100.0
93.07049	71.8
93.73337	2.0
95.04971	36.2
95.08614	38.0
97.02885	8.9
97.06516	7.1
97.10155	5.9
98.98473	2.5
99.08083	2.7
103.05493	3.0
105.07034	95.9
107.04967	11.1
107.08600	43.1
109.06516	7.4
109.10168	20.3
111.04459	4.3
111.08073	7.8
113.05988	2.9
115.05388	2.5
117.07024	26.8
119.04925	2.3
119.08589	74.3
121.06500	2.9
121.10149	30.5
123.08055	7.5
123.11703	5.9
124.99995	18.5
125.09612	3.5
129.05583	2.7
129.07033	24.6
131.08580	35.6
133.06537	3.6
133.10132	56.7
135.11679	16.7
137.09604	3.5
142.07799	6.2
143.08563	10.5
145.10124	25.7
147.08028	4.0
147.11700	57.1
149.09636	9.6
149.13264	12.8
151.11198	3.2
155.08546	3.9
157.10132	24.1
159.11687	19.1
161.13269	24.4
163.11174	5.0
163.14767	2.1
165.01981	2.4
165.12775	3.4
167.08565	2.3
169.10152	3.4
171.11702	16.4
173.09546	2.2
173.11960	2.0
173.13255	11.5
175.11151	13.8
175.14801	11.9
177.12718	2.6
183.11758	3.1
184.07344	89.2
185.13258	15.2
187.14853	3.5
193.12238	37.5
197.13181	2.8
199.14851	5.2
209.13072	2.4
211.13303	41.8
213.16397	2.8
227.12793	4.4
229.14278	3.3
231.21114	4.6
235.90797	2.3
241.19551	25.5
243.21013	2.2
259.20593	82.0
267.15912	17.8
269.17380	2.2
275.20090	3.0
283.15286	6.3
285.16937	45.0
301.21292	2.3
315.23151	9.1
333.24246	66.7
421.25861	2.4
423.32428	2.3
433.31076	8.5
451.31842	6.7
463.30798	2.9
469.33017	4.0
515.37140	6.3
525.35797	34.2
543.36841	97.8
544.36798	4.1
561.38159	4.7
672.34515	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	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01867	1.8
55.05270	1.2
55.05513	13.8
57.03201	0.9
57.03438	9.3
57.07072	1.7
61.02914	1.1
65.03930	2.0
66.92180	0.9
67.05505	37.5
68.81950	1.1
69.03422	2.7
69.07069	11.6
69.89295	4.5
71.04990	3.7
71.08636	21.6
73.02921	1.4
77.03927	1.5
79.05494	37.1
81.03419	31.5
81.07056	40.9
83.04985	12.4
83.08622	15.2
85.02910	16.9
85.06523	3.3
86.09682	2.4
91.03957	1.1
91.05483	33.3
93.07043	44.7
95.04980	17.8
95.08609	26.4
97.02895	3.4
97.06528	8.8
97.10155	4.0
98.21503	1.7
98.61983	0.9
99.08096	14.8
105.07034	24.3
107.04940	7.9
107.07873	1.6
107.08598	23.2
109.06500	4.0
109.10159	9.1
111.04471	1.6
111.08086	6.7
113.06008	1.8
113.09678	2.3
117.07018	3.8
119.08588	20.6
121.06510	2.1
121.09329	1.7
121.10144	23.0
123.08070	3.6
123.11708	3.5
124.99998	1.4
125.09624	1.4
129.07014	6.9
131.08569	8.9
133.06526	2.3
133.10139	16.1
135.11696	18.4
137.09595	3.2
141.09096	3.0
142.07738	1.6
143.08575	2.0
145.10138	4.7
147.08073	1.8
147.11708	13.1
147.30269	0.9
149.09608	4.3
149.13261	6.7
151.11198	6.8
157.10112	9.5
159.11668	2.5
161.13264	8.8
163.11162	4.7
165.12773	2.0
171.11624	1.2
175.11185	8.0
177.12762	2.2
179.14308	57.5
184.07297	6.6
185.13303	1.0
189.12830	1.9
193.12236	21.0
211.13275	23.9
221.15346	1.9
235.17004	2.1
253.14391	2.4
259.20694	2.7
267.15906	32.3
269.17474	2.1
277.18454	1.5
277.21631	45.9
285.16965	69.8
286.17136	1.5
295.22641	2.6
351.25290	33.1
412.23892	1.2
449.28714	1.2
463.30463	3.3
522.85211	1.1
543.36871	61.3
544.37128	1.7
561.37878	100.0
562.37939	3.4
705.41882	2.3
759.38452	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	757.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
55.05501	1.1
57.03432	1.6
57.07075	3.1
59.05004	0.7
61.02927	4.9
67.05512	2.5
69.03436	3.0
69.07076	0.9
71.04995	0.9
71.08630	2.1
73.02909	3.8
78.99651	0.3
79.05503	1.5
81.03409	4.7
81.07060	3.0
83.04990	0.4
83.08628	1.7
85.02904	5.2
85.06534	0.7
85.10184	1.3
86.09724	0.6
87.04474	0.8
90.89914	0.4
91.03966	3.0
91.05479	2.2
93.07047	1.3
95.04981	1.4
95.08624	2.4
97.02890	4.7
97.06561	1.0
97.10166	0.5
98.21620	0.8
99.04475	0.8
101.02393	1.5
103.03946	0.5
105.07038	1.3
107.08554	0.9
109.02892	0.8
109.10175	1.0
110.44126	0.4
115.03960	0.6
115.99331	0.4
117.07031	0.4
119.08627	0.6
121.10162	1.5
127.03918	1.7
129.06990	0.8
131.08595	1.6
133.10188	0.8
147.11696	0.9
149.09665	1.1
157.10138	0.8
175.11227	1.2
184.07376	1.8
185.04333	0.6
193.12231	1.9
217.46526	0.4
243.08389	2.5
267.15942	0.9
283.15128	4.8
313.27328	1.1
339.17728	0.8
459.22568	0.5
483.21884	0.5
497.30750	7.1
501.23090	15.7
502.23578	0.5
595.41864	0.9
757.47058	100.0
758.47247	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	757.2185
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03936	0.2
55.01876	0.2
55.05500	0.2
57.03437	1.4
59.04951	0.1
61.02914	0.3
68.99793	0.2
69.03430	1.0
71.01343	0.1
71.04992	7.3
71.55190	0.1
71.55560	0.1
72.19492	0.1
73.02909	0.3
75.04484	0.4
76.18839	0.1
81.03418	0.6
83.04977	0.5
85.02903	11.2
86.03262	0.1
87.04469	0.4
88.02930	0.1
91.03941	0.1
96.05165	0.1
97.02891	1.2
99.04460	0.3
100.64549	0.1
105.03387	0.2
107.04969	0.2
109.02882	0.3
111.00819	0.4
111.04443	0.2
113.34451	0.1
116.15094	0.1
119.04933	0.1
121.02853	1.5
127.03896	0.8
129.05472	2.3
133.02824	0.4
135.04390	0.1
136.07513	0.1
137.02365	0.3
145.04971	0.6
145.06480	0.1
147.04404	0.4
147.06535	0.6
153.00597	0.1
153.01826	1.8
153.02997	0.1
157.06479	0.2
163.03932	0.3
165.01817	1.1
165.75703	0.1
171.04424	0.1
183.02879	0.6
185.05951	0.2
189.05428	0.1
192.38783	0.1
195.57762	0.1
197.06061	0.1
213.05499	0.8
231.06445	0.4
241.04915	0.6
255.08635	0.1
258.05240	0.6
259.05948	0.3
269.04303	0.2
286.04550	0.1
287.05481	100.0
288.05838	1.5
299.05414	0.1
303.04993	0.3
329.06497	0.3
374.65485	0.1
403.15540	0.2
431.09537	0.1
433.11450	0.1
449.10785	25.7
450.11234	0.5
466.12677	0.1
611.15802	0.2
734.15326	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	757.2188
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03922	0.1
55.01843	0.2
55.05501	0.1
57.03445	1.0
61.02929	1.3
68.99781	0.2
69.03448	0.4
70.06554	0.1
70.84994	0.2
71.01358	0.1
71.04997	7.2
73.02880	0.4
75.04449	0.4
81.03387	0.3
83.04998	0.6
85.02911	9.8
87.04426	0.3
91.03955	0.7
91.05456	0.3
97.02898	0.9
98.21514	0.1
98.97564	0.1
99.04431	0.2
105.03314	0.1
107.04903	0.1
109.02851	0.2
111.00822	0.4
111.04422	0.3
119.04918	0.1
121.02872	1.6
127.03918	0.6
129.05490	2.3
133.02850	0.2
135.04387	0.2
137.02333	0.4
145.02841	0.1
145.04996	0.5
147.04427	0.5
147.06523	0.6
153.01846	1.9
153.03035	0.1
159.16916	0.1
163.03862	0.3
163.05974	0.2
165.01834	1.3
165.34979	0.1
171.04321	0.1
177.05495	0.1
183.02905	0.6
185.05899	0.3
189.05554	0.2
197.06023	0.1
204.09918	0.1
213.05421	0.8
231.06483	0.4
241.04939	0.6
258.05298	0.7
259.06015	0.3
269.04285	0.1
287.05505	100.0
288.05823	1.7
299.05466	0.2
303.04837	0.1
325.06912	0.1
329.06757	0.2
353.06573	0.1
397.09030	0.1
400.69199	0.1
431.09564	0.1
433.11346	0.1
449.10825	22.7
450.11108	0.4
593.15692	0.1
611.16107	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1974
Annotation	Quercetin 3- (6'''-p-coumarylglucosyl) (1->2) -rhamnoside
Peak:m/z	Relative Intensity
55.05507	0.3
61.02922	0.3
63.02382	0.1
65.03935	0.7
67.05504	0.1
68.99788	0.2
69.03433	0.1
69.25567	0.9
73.02905	0.1
77.04045	0.1
79.05479	0.1
83.04983	2.0
85.02895	0.7
89.03889	0.7
91.03973	0.2
91.05479	6.5
95.04974	0.1
95.06068	0.1
97.02908	0.2
98.20703	0.2
107.04949	0.3
109.02831	0.1
111.00805	0.3
111.04450	1.2
117.03381	1.2
119.04942	19.3
120.05255	0.2
121.02895	0.3
123.04428	0.4
127.03941	0.2
129.05486	0.3
135.04413	2.7
137.02347	0.7
145.02849	2.4
145.03989	0.1
147.04410	100.0
148.04730	1.1
149.02402	0.2
153.01819	0.8
157.06557	0.2
163.03903	19.7
164.04237	0.2
165.01849	0.4
165.05496	0.4
167.07074	0.2
173.05977	0.2
177.05388	0.1
181.04926	0.2
183.02864	0.2
189.05460	0.3
201.05527	0.3
203.07104	0.1
215.06836	0.1
217.04933	0.7
219.06561	0.1
229.04982	1.0
231.06421	0.1
233.04570	0.2
245.08025	0.1
247.06052	0.1
257.04471	0.7
271.82333	0.1
273.07535	0.2
285.04047	0.3
286.04962	0.1
287.05508	3.0
291.08636	4.9
293.10190	10.0
294.10434	0.2
303.04987	21.8
304.05316	0.4
309.09702	1.7
398.43710	0.1
428.87366	0.1
433.13925	0.1
472.57831	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	757.1974
Annotation	Variabiloside F
Peak:m/z	Relative Intensity
53.03960	0.3
56.85674	0.2
63.02401	0.4
65.03951	0.3
67.05544	0.2
69.03456	0.3
70.93596	0.4
73.45119	0.2
77.75233	0.3
79.05508	0.5
83.04986	3.2
85.02904	1.2
89.03918	2.9
91.05481	1.9
106.85816	0.2
107.04958	1.9
111.04455	2.6
112.90639	0.2
117.03385	5.4
119.04948	6.1
121.02882	0.4
123.04416	2.1
129.05493	0.9
135.04420	11.5
137.02353	0.3
145.02850	10.7
147.04417	31.5
148.04767	0.5
157.06424	0.3
163.03906	100.0
164.04239	0.8
167.06960	0.4
173.31807	0.3
177.05455	0.6
181.04993	0.5
185.05928	0.3
189.05464	0.3
193.04906	0.3
201.05447	1.0
203.06976	0.4
205.05019	0.5
217.04942	2.6
221.07785	0.2
227.06934	0.3
229.04866	0.3
231.06589	0.5
233.04515	0.4
245.07935	0.4
273.07510	0.6
275.06113	0.4
275.09134	8.0
287.05521	8.1
291.08640	23.0
293.07263	0.3
293.10172	2.7
303.04962	3.8
309.09692	11.6
401.15628	0.4
739.79449	0.3
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
53.03936	6.9
55.01869	12.7
55.05514	30.7
56.96577	2.0
57.03433	16.2
57.07065	5.2
59.04995	4.3
59.05271	2.0
61.02925	6.2
62.04638	2.1
65.03933	3.7
67.05508	61.1
69.03433	3.6
69.07069	21.9
71.04979	7.5
71.08617	3.6
73.53193	2.6
79.05495	67.4
81.03416	19.0
81.07059	53.2
82.23984	2.1
83.01328	9.6
83.04974	15.0
83.08617	20.8
85.02890	12.6
85.06549	5.1
86.09734	2.9
91.05482	73.1
93.07044	75.2
95.04981	13.0
95.08604	35.7
97.02884	9.4
97.06530	11.2
97.10173	10.0
99.04443	4.2
99.08055	2.5
105.07033	71.4
107.04951	11.6
107.08597	43.5
109.06500	8.0
109.10146	18.7
111.04453	3.9
111.08077	5.8
115.05440	3.9
117.06243	2.2
117.07027	29.1
119.08583	58.2
121.06473	7.0
121.10152	28.5
123.08050	9.1
123.11685	3.3
125.05997	2.6
125.09621	8.1
129.06999	14.3
131.08556	31.2
133.10126	51.2
135.08028	6.8
135.11696	26.0
137.09630	2.5
143.08574	10.8
145.10126	35.6
147.08055	2.6
147.11694	36.0
149.09618	7.8
149.13239	6.8
153.12779	3.5
155.08533	5.1
157.10133	12.4
159.11684	18.4
161.09709	2.2
161.13269	20.3
163.03885	4.6
163.11166	24.8
163.14789	2.1
165.09190	2.3
169.10143	5.7
171.11656	14.0
173.09682	2.2
173.13274	12.1
175.11188	3.6
175.14870	5.1
179.14301	3.8
181.12303	3.5
183.11694	5.7
184.07355	5.7
185.13187	9.8
187.14693	3.6
189.11234	4.1
190.58170	2.2
191.10733	2.6
193.12231	5.6
195.11717	2.3
199.14816	9.0
209.11714	7.0
211.13208	3.7
213.16437	2.9
227.12805	17.6
231.21042	8.7
241.19473	25.7
257.18896	4.8
259.20584	71.0
267.15881	5.7
275.20016	7.6
279.20844	2.4
283.15363	68.0
284.15683	2.8
285.16962	6.9
295.20557	2.7
297.21973	11.9
315.23169	8.5
333.24265	48.2
349.24158	3.0
421.25659	2.5
421.31168	2.7
431.29410	5.1
449.30475	9.9
467.31714	5.8
485.33069	3.0
513.35681	3.7
523.34039	9.7
541.35242	100.0
542.35687	5.7
559.36206	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01865	5.2
55.05510	12.7
57.03439	7.2
57.07063	3.0
59.04993	1.4
61.70287	1.0
63.15328	1.1
65.03931	1.9
65.17961	1.5
67.05186	2.0
67.05508	25.7
69.01353	1.2
69.03429	4.2
69.07069	10.5
69.19180	12.4
71.04989	2.9
71.08633	13.6
73.54926	1.2
77.03909	1.2
79.05495	31.2
81.03420	19.3
81.07059	31.9
83.01313	2.3
83.04984	10.1
83.08617	10.5
85.02887	4.0
91.05486	22.5
93.07049	35.4
95.04958	9.9
95.08609	22.2
97.02898	1.6
97.06532	7.8
97.10149	3.2
99.04475	2.3
99.08094	10.2
105.07024	14.6
107.04957	9.5
107.08595	18.6
109.06507	5.0
109.10149	8.4
111.04397	1.4
111.08078	2.7
113.09639	1.5
117.06997	5.9
119.08578	14.9
121.06508	3.8
121.09458	1.3
121.10161	15.3
123.08078	5.8
125.09650	2.6
129.07019	4.2
131.08543	6.9
133.10120	7.6
135.08015	2.2
135.11699	22.3
137.09628	1.6
143.08575	3.0
145.10159	9.3
147.08063	1.5
147.11696	4.2
149.09641	1.6
149.13231	3.8
151.11177	5.8
155.03212	1.2
157.10133	2.4
159.11717	2.1
161.13245	5.4
163.11192	14.9
171.11693	2.1
173.04434	1.3
173.09662	1.8
173.13309	1.4
175.11182	2.0
179.14317	33.4
181.12239	2.4
184.07283	2.6
185.13315	1.3
191.10622	1.7
193.12277	3.5
209.11745	2.1
227.12779	2.3
247.20627	1.4
255.15916	1.6
259.20474	1.5
265.14429	1.8
267.15958	7.3
268.16220	1.5
269.17551	3.8
275.20047	2.1
277.21658	21.3
283.15393	60.5
318.54218	1.3
349.23657	2.8
351.25256	15.4
385.49805	1.5
390.92136	1.2
447.27393	2.5
461.28891	8.0
541.35059	8.3
559.36328	100.0
560.36456	3.7
564.18011	1.3
693.33655	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03860	1.9
55.01772	2.6
55.02066	1.0
55.05407	7.7
55.05706	2.4
57.03333	5.3
57.03638	1.5
61.92453	0.6
67.05386	12.8
67.05790	2.9
69.03316	1.7
69.03894	0.6
69.06950	3.9
69.07366	1.3
69.85464	2.4
69.85884	1.1
71.04874	2.7
71.49713	0.5
79.05367	14.7
79.05884	2.4
81.03292	33.4
81.06925	11.9
83.04848	3.1
83.08484	9.7
85.02804	0.9
85.06432	1.2
91.05347	11.2
91.05959	1.4
91.89128	0.7
93.06904	9.8
95.04829	15.2
95.05480	1.9
95.08466	6.2
97.02756	1.1
97.06379	2.3
97.10031	11.5
97.10710	0.9
99.08002	0.8
103.05406	1.0
105.06882	9.1
107.04802	9.3
107.08451	8.0
109.06369	6.5
109.09992	4.4
111.04289	0.9
111.07932	4.1
114.18406	0.7
115.05329	1.3
117.06858	2.8
119.04863	1.0
119.08424	8.4
121.06505	8.6
121.10128	6.0
123.04288	1.1
123.07912	3.8
123.11642	1.0
125.09629	10.2
128.06058	0.9
128.80426	0.7
129.07004	7.8
131.04764	1.7
131.08403	7.6
133.06503	3.3
133.10103	4.1
135.08043	3.8
135.11595	1.6
137.09453	1.7
139.11130	0.8
141.06796	0.9
142.07655	1.5
143.08386	2.1
145.06490	5.3
145.10112	3.8
147.04352	1.4
147.08052	4.1
147.11696	4.7
149.09636	3.7
153.08949	2.6
153.12682	0.8
155.08400	1.9
157.06358	1.0
157.10114	5.7
159.07974	1.7
159.11560	0.9
161.09486	1.5
163.10995	3.0
165.12637	1.2
167.10594	0.9
169.10033	0.7
171.07924	1.8
171.10056	1.4
171.11502	1.5
173.09459	1.0
173.13145	1.6
175.11224	5.0
177.12630	0.8
181.10051	0.9
183.07930	0.7
185.09474	0.7
185.13138	1.2
187.11101	1.3
187.14772	1.4
189.11026	5.1
189.12654	1.6
191.10623	0.9
191.14183	1.1
193.12251	14.0
195.11537	1.0
195.90488	0.6
197.09435	1.2
197.13153	1.5
199.11203	1.2
199.12996	0.8
201.12621	1.0
203.10559	0.9
203.14169	0.9
205.12088	1.5
211.11171	1.0
211.13124	1.6
213.12671	1.1
215.14145	1.9
217.12146	1.5
219.13646	2.7
221.94577	0.7
223.11154	0.7
223.13069	1.2
225.12608	0.8
227.12675	2.3
231.13774	0.9
233.15392	3.8
235.13094	1.0
237.12610	1.0
239.14206	0.9
241.14209	0.7
243.13837	0.8
249.14787	1.2
255.13591	1.7
259.13321	1.5
267.15912	35.0
273.14722	5.6
275.16266	1.1
293.17065	1.0
339.22986	2.5
349.21637	4.1
357.24182	2.4
367.22684	11.6
385.23752	21.3
403.24808	6.9
404.84775	0.7
405.23801	0.8
441.26364	9.5
455.26071	0.7
459.27414	100.0
460.27765	2.4
477.28482	90.6
478.28699	2.7
491.29974	11.2
501.28616	2.3
509.31198	4.5
541.33630	0.8
567.29553	2.8
788.59473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01854	1.1
55.05516	4.8
57.03434	4.0
57.07080	5.5
59.04987	0.9
61.02915	4.1
67.05509	9.4
68.05836	1.9
69.03429	2.6
69.07067	4.7
71.04976	1.9
71.08634	3.9
71.55763	1.0
73.02922	3.7
79.05492	3.0
81.03424	5.2
81.07066	6.3
82.07375	0.7
83.04974	1.2
83.08616	3.7
85.02913	6.1
85.06537	0.9
85.10192	1.9
86.09706	0.9
87.04452	0.9
91.03968	2.1
91.05492	3.0
93.07026	3.4
95.04957	1.0
95.08617	4.6
97.02896	4.6
97.06539	0.7
97.10176	4.4
99.04498	1.6
101.02380	2.5
105.07008	1.1
106.26576	0.6
107.08607	2.9
109.10147	4.6
119.08586	1.5
121.10167	3.4
123.11740	0.8
125.09655	2.5
126.79108	0.6
127.03937	2.2
131.08562	1.5
133.10197	0.8
135.11723	1.4
142.76411	0.7
147.11708	0.9
149.09657	1.5
157.10202	1.1
173.11801	1.2
184.07362	1.3
188.77840	0.6
193.12294	1.6
199.13330	1.7
203.05344	1.0
221.22293	0.7
227.12956	1.1
229.14334	3.7
230.14781	1.6
243.08453	2.1
267.15991	1.1
283.15143	4.7
301.16415	1.3
302.16995	2.1
311.25967	1.1
313.27356	6.9
313.30261	0.7
314.27658	7.5
339.17841	1.3
396.76633	0.7
398.85187	0.8
455.37299	1.2
456.38052	1.7
467.37146	1.6
468.37820	2.2
495.29514	5.5
501.23129	12.9
540.40045	1.5
558.40344	0.8
594.14648	0.7
755.45587	100.0
756.45697	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.6
54.90224	1.9
55.01862	9.3
55.05268	3.0
55.05511	38.5
57.03444	21.5
57.07049	3.1
59.04999	5.1
59.99889	1.8
67.05510	100.0
69.03429	24.6
69.07072	12.0
69.97396	8.1
69.97801	3.4
71.01344	5.7
71.04993	10.5
71.08611	2.7
73.02912	5.5
77.62462	1.9
79.05499	36.2
81.03421	93.2
81.07062	51.5
83.04977	24.6
83.08632	23.4
85.02911	46.0
85.06541	4.2
87.04452	3.1
91.05479	40.1
93.07043	29.0
95.04980	27.3
95.08615	20.1
97.02901	24.7
97.06548	10.8
97.10166	18.9
99.04449	6.3
99.08084	3.3
103.03894	2.1
105.07025	26.8
107.04948	15.2
107.08585	20.7
109.02880	20.9
109.06497	6.7
109.10162	52.4
111.04440	15.2
111.08066	11.3
117.07001	8.9
117.75192	2.3
119.08598	25.2
121.06484	6.4
121.10120	9.4
123.04449	7.2
123.08052	4.1
125.09610	14.7
127.03915	12.7
128.73853	2.0
129.05501	2.9
129.07005	8.5
131.03375	3.8
131.08563	16.6
133.06494	3.8
133.10100	11.1
135.08014	2.4
135.11708	7.8
137.09593	5.3
139.11057	2.7
142.07771	2.7
143.08499	4.4
145.06483	2.8
145.10103	7.0
147.04437	3.8
147.08073	2.5
147.11737	11.5
149.05997	2.2
149.09618	7.9
153.12773	5.1
155.10735	4.3
157.10130	10.2
159.11781	2.0
163.11211	12.2
165.12772	3.5
173.04491	10.8
173.11787	12.4
175.11198	11.5
175.70354	2.7
179.30023	2.3
181.12186	4.8
183.06548	2.5
189.11203	4.1
189.12733	5.1
191.10683	6.0
193.12248	40.3
199.13283	4.1
209.11693	8.5
211.05795	2.6
211.13290	44.7
217.12233	4.8
227.12785	13.0
229.14369	30.1
235.13353	4.3
259.20694	2.3
267.15979	17.0
269.17471	4.0
275.20233	2.4
283.15564	12.3
285.09869	2.7
285.16971	10.9
301.13846	2.9
301.16846	4.2
309.17010	12.6
355.17328	4.2
403.19748	2.6
413.17773	6.0
421.25708	5.0
423.27472	3.6
439.26926	36.4
475.27560	2.8
493.28018	5.7
511.28818	6.2
575.35480	3.0
583.31012	2.4
585.28961	23.9
586.28693	2.7
611.37946	3.2
637.32294	4.1
737.40369	6.1
755.41882	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	755.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77583	2.2
57.03427	2.4
65.03933	3.2
69.03443	11.4
70.71177	4.9
71.01328	3.2
73.02912	1.9
79.05489	11.4
81.03409	10.6
83.49879	2.2
85.02908	15.5
91.05488	44.7
93.07042	4.4
95.04963	6.0
97.02890	7.8
98.20870	2.4
99.04460	3.0
103.05483	3.9
105.03416	3.0
105.07075	2.7
106.48445	2.2
106.71514	2.2
107.04942	5.4
109.02866	4.1
114.76659	2.1
118.04106	2.5
119.04954	66.3
121.06513	8.1
127.03918	5.7
129.03355	11.8
131.04932	9.5
133.06505	12.0
135.04269	2.4
139.03920	4.2
145.02872	15.2
147.03242	3.7
147.04419	77.0
149.05981	13.5
159.04428	9.5
161.05994	18.4
165.05470	4.6
165.07007	2.7
166.07834	3.9
171.04465	2.3
173.02385	4.5
173.04500	2.6
175.03906	32.2
177.05510	28.9
178.07797	4.7
179.07025	11.0
179.08513	4.8
181.10210	3.6
187.03908	5.2
189.05476	100.0
190.05876	3.1
190.07716	3.3
191.07034	6.1
191.08595	9.0
193.04985	6.1
194.07474	2.7
195.08058	6.3
203.03410	8.6
203.08528	3.3
205.04951	18.1
205.06589	3.2
207.06540	46.4
207.08371	4.5
209.09647	4.3
213.05458	2.5
219.08034	9.5
223.07599	6.3
225.07452	4.9
233.06033	3.6
235.07730	3.6
237.09192	6.9
247.07608	11.9
249.09215	4.2
251.07053	9.3
263.07117	2.8
263.57654	2.4
265.08588	14.1
269.08102	3.5
275.06924	16.9
277.08582	2.4
279.10159	5.5
283.09509	3.0
291.06522	3.3
293.08096	15.7
303.06564	6.8
307.09763	5.8
321.07809	14.1
325.10550	4.3
335.09219	11.9
337.09488	2.6
339.08694	3.7
345.07623	2.3
349.07071	5.6
351.10938	3.5
353.10187	15.5
363.08511	13.1
367.11957	3.6
371.11096	3.5
381.09720	60.0
385.13065	5.5
395.11240	10.6
399.10733	23.1
413.12369	33.9
431.13309	3.3
525.13776	3.3
543.14703	4.9
575.17651	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	754.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01868	2.5
55.05511	29.6
57.03434	13.8
57.06797	2.2
57.07077	32.7
59.04999	3.1
59.06116	1.2
62.35831	1.2
67.05503	45.7
69.03439	1.8
69.07068	14.7
69.22538	8.8
69.22955	3.4
71.04996	1.3
71.08634	18.2
74.09711	1.1
79.05496	13.1
81.03413	3.9
81.07059	23.8
83.04977	3.5
83.08617	17.1
85.02909	16.0
85.06551	1.8
85.10175	13.7
87.04476	7.2
91.05466	6.2
93.07061	7.4
95.04957	1.4
95.08613	20.1
97.02891	2.9
97.10165	24.3
103.03994	1.3
105.07028	2.1
107.04959	2.7
107.08581	10.3
109.10158	35.7
111.08015	2.0
111.11720	1.5
119.08582	2.5
121.10156	2.0
123.08065	1.5
123.11714	2.5
125.09628	18.5
133.10136	1.7
135.11707	1.8
137.13252	1.3
143.10672	4.2
145.10101	1.7
155.10631	2.2
155.89223	1.2
163.11166	3.1
173.11740	7.2
181.12311	2.1
183.58482	1.4
184.07343	1.6
191.10696	1.4
199.13286	11.6
209.11790	3.1
217.14342	1.4
219.28619	1.4
221.22652	1.5
226.06264	1.2
227.12749	15.2
229.14345	41.7
233.66043	1.5
233.96420	1.4
239.23721	4.7
257.24844	1.9
283.15424	3.9
301.13379	2.4
301.16486	29.3
313.27359	100.0
314.27747	3.0
319.17386	3.8
341.26837	2.9
367.35590	1.3
437.36331	6.7
455.37390	20.3
460.26654	1.2
467.37369	21.2
468.38217	1.8
539.39270	16.0
543.77136	1.5
557.40265	5.7
678.06097	1.3
754.43073	2.2
755.40051	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99712	0.6
53.03939	1.4
55.01860	2.0
55.05512	16.2
56.05033	0.8
57.03185	0.8
57.03441	6.7
57.07079	16.2
58.06597	0.9
59.04984	1.7
60.08170	5.6
61.02918	1.2
64.94743	0.5
65.03936	0.6
67.05506	22.6
69.03425	1.0
69.07068	6.0
71.01321	0.8
71.04978	1.2
71.07375	2.5
71.08632	10.8
71.57016	1.0
73.02924	0.6
79.05501	7.1
81.03419	1.2
81.07060	12.6
82.22277	0.5
83.04967	1.6
83.08615	7.6
85.02901	7.0
85.06535	1.0
85.10178	6.3
86.09708	29.2
87.04482	3.2
89.06023	1.2
91.03934	1.0
91.05473	3.0
91.69073	0.5
93.07044	3.8
95.04952	0.8
95.08613	11.2
97.02878	1.8
97.06515	1.3
97.10172	10.9
98.98461	1.8
103.03911	0.8
103.07586	0.7
104.10747	2.6
104.11870	0.6
105.07002	0.6
107.04967	1.0
107.08602	4.5
109.10161	20.4
111.04449	0.9
111.08074	1.0
117.06989	0.7
119.08562	1.9
121.10150	1.3
123.08160	0.8
123.11688	1.6
125.00008	19.0
125.08757	0.9
125.09622	8.8
127.03909	0.6
131.08571	0.8
135.11662	1.1
137.09647	1.0
137.13185	0.7
143.10689	1.8
145.10162	0.7
149.09657	0.6
153.12709	0.8
155.10707	0.8
163.11150	1.5
173.09534	0.6
173.11740	5.4
184.07344	100.0
191.10612	0.8
199.13306	5.7
199.80537	0.5
209.11768	2.3
213.60344	0.6
217.14282	0.8
227.12703	4.5
229.14359	21.9
239.23805	2.4
257.24634	0.9
265.14484	0.5
278.47540	0.5
283.15408	1.5
301.16455	12.4
313.27359	47.6
314.27707	1.4
319.17514	0.9
335.25870	0.7
341.27136	0.8
437.36197	2.6
455.37460	7.6
467.37369	12.4
468.38037	0.7
517.46619	0.6
539.39417	7.3
540.39972	0.6
557.39935	1.5
650.44043	9.2
651.43921	0.7
754.48242	7.0
755.45746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.4
55.01872	11.3
55.05510	38.2
57.03434	17.4
57.07069	4.1
59.04994	3.9
65.03918	2.4
67.05503	95.2
69.03436	16.6
69.07070	16.4
71.01357	4.1
71.04995	5.9
71.56471	2.9
73.02911	4.2
77.23232	1.6
79.05495	40.1
81.03414	100.0
81.06585	2.9
81.07053	44.6
83.01374	2.2
83.04984	19.0
83.08621	25.2
85.02904	45.5
85.06564	3.6
87.04475	2.2
91.05477	39.2
93.07049	28.5
93.40810	1.9
95.04968	23.2
95.08604	20.6
97.02895	18.6
97.06535	12.1
97.10160	16.8
99.04447	6.8
99.08070	2.7
101.02368	1.9
103.03934	3.1
105.07028	22.4
107.04935	11.8
107.08593	18.3
109.02879	22.0
109.06523	9.9
109.10155	47.3
111.04453	12.5
111.08104	11.5
113.06030	3.1
117.07002	9.0
119.08577	19.4
121.02829	2.2
121.06496	4.7
121.10161	10.2
123.04437	6.6
123.08172	3.6
123.11689	1.9
125.06026	2.7
125.09615	19.6
126.99004	1.6
127.03908	10.9
129.05472	3.0
129.06989	9.3
131.03450	3.8
131.08546	11.1
133.06493	6.6
133.10104	9.6
135.04404	2.8
135.08022	4.0
135.11678	6.1
137.05963	3.4
137.09619	5.2
143.08591	3.0
145.06477	2.4
145.10136	8.1
147.08058	5.8
147.11653	12.3
149.09608	5.3
153.09027	2.1
153.12784	5.0
155.08499	2.1
155.10664	4.0
157.10106	10.2
159.08060	2.2
161.05894	2.5
161.09560	2.8
163.11203	10.8
164.71564	1.9
171.06595	2.5
173.04465	7.9
173.09615	3.6
173.11726	11.8
175.11139	11.7
177.12502	1.7
181.12238	4.6
183.06493	4.5
189.05647	1.7
189.11163	5.2
189.12764	3.8
191.10709	4.6
193.12244	38.0
195.13806	1.9
199.06071	1.8
199.11421	2.3
199.13318	4.6
205.12306	2.7
209.11826	5.4
211.13266	41.4
217.12181	3.7
223.13348	2.7
227.12758	16.5
229.14313	23.0
230.26839	1.9
235.13300	6.5
248.62112	2.0
267.15848	17.6
273.14767	2.9
273.18457	3.2
277.14359	4.0
283.15445	10.4
285.10077	2.3
285.17056	9.6
291.19510	4.6
301.14093	4.2
309.16937	7.2
337.16309	3.0
347.15262	2.6
421.25812	6.6
439.26910	37.8
463.27057	4.0
474.91241	2.2
475.26700	2.3
493.27707	2.7
506.66739	2.3
510.61932	2.0
583.31171	2.4
609.36273	3.9
655.33643	4.4
735.38947	2.7
753.40601	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	752.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01841	0.8
55.05510	5.6
57.03438	10.3
57.07076	25.8
67.05504	12.1
69.03411	0.9
69.07066	6.6
70.70943	1.6
71.04957	1.2
71.08633	17.4
79.05489	6.1
81.03418	54.7
81.07056	14.2
83.04969	2.8
83.08620	17.2
85.02895	1.1
85.06507	0.5
85.10181	11.1
89.06006	1.5
91.05479	10.0
93.07053	4.3
95.04967	14.8
95.08605	15.1
97.02850	1.8
97.06499	1.1
97.10175	4.4
99.08060	0.6
103.07570	0.5
105.07024	7.2
107.04948	3.3
107.08613	2.5
109.06471	1.7
109.10171	7.7
111.04436	1.2
111.08084	5.1
111.11738	0.6
117.07001	0.6
119.08587	7.4
121.06480	1.8
121.10140	3.5
123.04417	1.1
123.08079	1.0
123.11701	3.2
125.09606	0.9
125.13195	0.7
129.07008	6.7
131.08571	5.5
133.06451	1.8
133.10104	2.9
135.11635	0.7
137.09589	0.9
137.13197	1.1
138.02148	0.5
142.07736	1.1
145.10074	1.0
147.08034	2.5
147.11684	4.8
149.09595	3.0
151.14796	0.6
155.21237	0.6
157.10126	6.6
163.11162	0.7
165.12769	1.2
175.11182	6.1
184.07323	1.2
193.12242	21.1
211.13271	1.1
239.23703	2.1
249.14870	1.6
257.24738	2.4
259.13388	0.9
267.15915	98.1
268.16342	1.4
301.14386	1.4
309.17050	1.1
313.27362	100.0
314.27863	1.0
393.18820	0.6
505.38892	82.5
506.39224	2.9
523.40173	1.8
547.39838	3.8
559.29877	0.6
565.41925	0.7
580.33490	0.8
601.40997	1.5
613.40894	0.9
631.42749	0.7
649.43274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.7
55.01857	0.7
55.05509	6.2
57.03435	12.0
57.07074	24.8
61.02913	0.7
67.05502	11.7
69.03438	1.1
69.07066	6.6
71.04962	2.1
71.08627	20.0
79.05497	7.7
79.05923	1.2
81.03415	54.2
81.07051	15.2
83.04976	2.9
83.08614	16.9
85.02863	1.6
85.06503	0.8
85.10179	11.1
89.06012	1.5
91.04975	0.7
91.05470	9.3
93.07030	5.8
95.04390	1.0
95.04966	16.1
95.08604	14.5
97.02844	2.4
97.10150	5.3
97.80293	0.6
98.21629	1.1
99.11647	0.7
103.07584	0.9
105.07027	6.9
107.04948	3.0
107.08575	2.1
109.06483	1.6
109.10148	7.0
111.04409	1.2
111.08082	5.3
111.11699	1.4
115.05416	0.8
117.07023	0.8
119.08598	6.7
121.06469	1.8
121.10156	3.1
123.04389	0.9
123.08020	1.1
123.11714	3.0
124.88087	0.5
125.09500	0.6
125.13210	0.6
129.07011	5.4
131.08562	6.2
133.06454	2.3
133.10121	2.6
135.11690	0.7
137.09534	0.8
137.13228	0.8
142.07765	1.1
142.93488	0.7
145.10103	0.8
147.07986	1.9
147.11682	5.2
149.09601	3.1
157.10097	6.8
163.11147	0.6
165.12663	1.3
175.11180	6.5
193.12244	21.2
205.12122	0.9
211.13168	1.3
235.13330	1.1
239.23669	2.4
249.14835	1.2
257.24762	1.7
259.13303	0.7
267.15903	100.0
268.16183	1.1
301.14447	1.1
309.16788	1.5
313.27350	93.6
314.27820	1.3
505.38867	79.7
506.39392	1.9
523.40149	1.6
547.39960	3.5
601.41248	1.1
620.73950	0.7
631.42346	0.9
752.46112	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	751.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
56.46227	0.6
57.03439	2.0
57.07069	2.7
57.53746	0.7
60.41486	0.7
61.02926	5.2
67.05498	4.3
69.03440	3.1
69.07069	3.5
69.20132	4.2
69.20550	2.9
71.08630	1.5
72.08161	0.7
73.02921	3.6
74.09735	0.9
79.05502	3.1
81.03415	6.0
81.07066	4.2
83.04972	1.4
83.08637	3.3
85.02908	5.6
85.10204	0.9
86.09688	1.7
87.04465	1.4
91.03989	3.3
91.05502	2.9
93.07051	2.3
93.79173	0.6
95.04973	2.0
95.08594	4.2
97.02882	4.9
97.10196	1.5
99.04482	0.9
101.02374	1.9
105.07041	2.0
107.08615	1.5
109.02905	1.4
109.10155	2.1
119.08614	1.7
121.10162	1.9
123.11694	1.0
125.00003	1.3
127.03954	1.1
129.06961	0.7
130.64597	0.7
131.08591	1.6
135.11743	0.7
147.11711	1.0
157.10165	1.2
175.11156	1.2
184.07382	3.8
185.88811	0.7
193.12334	2.4
196.55914	0.7
211.13286	1.3
228.75677	0.8
243.08443	2.9
251.12599	1.1
267.16022	2.0
313.27454	1.9
314.27979	1.0
324.29013	0.8
446.45001	0.8
469.20505	9.8
505.39194	1.9
523.32410	4.1
579.34064	1.2
751.46008	100.0
752.46399	2.2
765.19525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
55.01866	7.3
55.05517	15.1
57.03445	16.1
57.07079	46.4
59.04981	2.6
60.23514	2.8
61.02930	3.8
67.05510	28.5
67.80141	2.4
69.07082	12.8
69.74030	4.6
69.74443	8.9
71.04975	4.6
71.08638	33.6
73.02914	3.0
79.05497	27.2
81.03425	35.9
81.07059	31.1
83.01339	4.5
83.04981	11.9
83.08633	17.6
85.02894	9.9
85.06546	5.0
85.07679	2.6
85.10186	19.6
87.04478	14.2
91.05474	16.6
93.07041	28.2
95.04952	8.6
95.08612	31.6
97.02900	8.7
97.06538	8.0
97.10178	10.3
99.04393	2.8
105.07024	9.9
107.04976	17.6
107.08621	17.7
109.06528	7.4
109.10149	11.3
111.04456	22.1
111.08084	4.6
111.11713	3.4
117.07018	9.4
119.08584	10.9
121.06486	8.9
121.10147	12.7
123.08042	4.2
123.11716	3.9
125.05957	5.5
127.03993	2.8
129.06961	5.1
131.08574	9.1
135.08028	3.4
135.11687	15.0
145.10152	25.0
147.08081	4.3
149.09622	5.5
153.12752	10.2
155.08521	3.0
163.11195	35.6
173.09653	7.4
181.12242	6.6
184.07330	5.1
191.10614	10.2
193.12286	4.7
195.13683	2.7
209.11771	13.6
223.13293	23.6
227.12798	8.8
239.23753	4.2
241.14304	36.7
247.29199	2.7
249.11058	3.3
259.61200	2.3
259.83740	2.6
265.14478	17.5
267.15945	5.7
268.16238	2.8
281.23990	2.6
283.15445	23.1
313.27365	100.0
314.27667	9.2
315.18073	53.6
410.77356	2.5
467.19138	3.3
468.19342	3.8
503.37335	12.5
506.38962	7.5
521.38397	92.7
522.38873	3.5
524.40234	4.8
535.39911	3.6
553.32617	5.3
553.40948	69.1
750.32434	4.1
750.44598	50.3
751.45038	6.4
768.65552	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	749.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.05519	2.0
57.03441	2.1
57.07071	0.4
61.02932	3.9
67.05510	5.6
69.03426	2.4
69.07069	3.5
69.46436	2.9
71.01369	0.9
71.04999	0.8
73.02924	2.8
75.39547	0.4
79.05494	4.3
81.03430	2.1
81.07058	3.8
83.04984	1.6
83.08652	0.6
85.02898	4.0
86.09695	0.5
87.04466	0.8
91.03940	2.6
91.05482	3.2
93.07053	4.7
95.04979	1.2
95.08603	1.9
97.02905	3.4
97.06541	1.0
97.10191	1.0
98.21497	0.9
101.02392	2.4
105.07018	2.1
107.08601	3.0
109.02889	0.8
109.06459	0.4
109.10160	1.4
117.07021	1.4
119.08604	1.7
121.06506	0.5
121.10173	1.2
127.03946	1.1
131.08595	1.4
133.10086	0.9
135.08118	0.4
135.11697	5.0
137.09650	0.6
141.90465	0.4
145.10098	0.8
146.89941	0.5
147.11775	1.0
149.13239	0.6
149.97525	0.4
163.11250	0.5
181.12357	0.5
184.07384	0.7
185.04190	0.7
221.11609	0.9
225.78799	0.5
243.08453	3.4
255.15822	0.5
275.20251	0.4
292.49200	0.4
303.19870	0.6
319.15305	0.4
333.20462	1.8
383.31418	0.4
389.23328	0.5
439.19415	11.8
453.21042	0.8
481.08627	0.5
551.28241	6.1
646.34027	0.6
749.40839	100.0
750.41064	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.05276	1.4
55.05517	14.0
57.03440	12.5
57.07085	10.2
61.02922	2.3
67.05511	24.4
69.03426	3.0
69.07071	24.6
69.63155	8.6
71.04993	1.9
71.08622	5.4
73.02910	2.3
79.05052	2.1
79.05488	14.0
81.03420	55.7
81.07061	26.8
83.04993	4.3
83.08155	2.2
83.08619	24.8
85.02894	3.7
85.10176	2.1
87.04482	7.2
91.03940	1.5
91.05491	12.6
93.07054	15.0
95.04977	18.0
95.08613	20.3
97.02903	3.7
97.06536	3.7
97.10188	9.7
101.09729	1.3
105.07040	9.2
107.04939	5.4
107.08601	10.4
109.06520	3.7
109.10149	9.1
111.04435	1.8
111.08118	7.6
111.11718	2.5
117.07076	1.3
119.08595	9.8
121.06527	1.6
121.10178	13.4
121.76655	1.4
123.11685	3.4
127.11181	1.7
129.07002	6.1
131.08501	6.5
133.10121	3.9
135.11691	9.0
137.13229	2.3
142.07765	2.3
145.10081	1.6
147.08052	3.1
147.11702	5.8
149.09648	3.6
149.13234	3.3
157.10158	8.5
165.12733	1.8
175.11163	4.6
184.07362	2.2
193.12239	19.0
204.75642	1.5
211.13290	2.0
219.21086	2.0
265.14795	1.4
266.27576	1.7
267.15927	100.0
268.16330	3.3
309.16794	2.8
311.25824	77.2
312.26080	2.5
313.27383	5.1
326.19150	1.4
330.85168	1.4
429.33560	1.5
503.37335	69.9
504.37366	3.2
506.39288	2.8
521.38171	12.6
545.38196	2.3
553.40472	1.8
750.44647	36.7
751.44067	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	747.3777
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03965	0.7
55.01880	0.6
55.05523	0.8
57.03444	1.9
59.05014	0.6
60.96305	0.4
61.02927	3.8
67.05500	2.4
69.03432	2.3
69.07085	1.3
70.18822	1.7
71.01372	0.6
71.04997	1.6
73.02915	3.4
76.04389	0.5
79.05500	2.9
81.03415	6.2
81.07055	3.0
83.08630	1.1
85.02904	4.7
85.06539	0.6
91.03972	2.6
91.05478	3.1
93.07045	3.3
95.04984	1.8
95.08631	1.5
96.80998	0.4
97.02897	3.9
97.06535	0.9
98.20817	0.4
99.04475	0.9
101.02418	1.5
103.03996	0.6
105.07024	1.9
107.05007	0.6
107.08620	1.5
108.26052	0.4
109.06549	0.5
111.08108	1.1
113.06078	0.5
118.97499	0.4
119.08572	2.1
121.10147	3.0
123.08109	0.4
123.11758	0.5
127.03947	1.8
129.07062	1.4
131.08533	2.2
133.10194	1.4
137.05951	0.4
139.11205	0.9
145.02917	0.4
147.11752	1.9
149.09608	2.4
157.10104	2.0
167.07216	0.4
175.11267	1.2
177.05530	0.7
185.04218	0.5
190.18823	0.4
193.12204	2.3
225.11139	0.6
225.14952	0.6
243.08353	2.6
267.16080	1.8
269.13724	2.0
283.15161	3.7
301.08990	0.6
325.16187	0.5
339.18036	0.9
443.18976	7.3
468.48465	0.4
469.20587	3.5
485.19662	0.4
487.21527	6.9
501.23071	14.9
567.31982	0.5
573.25256	0.7
657.30762	2.1
685.35016	0.5
703.35156	3.4
729.35626	1.9
747.37787	100.0
748.38361	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	749.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01887	0.6
55.02172	0.4
55.05512	1.9
57.03444	2.5
61.02932	3.2
67.05508	4.6
69.03435	2.6
69.07077	2.7
69.46799	2.2
71.01364	0.8
71.04992	0.9
73.02925	3.2
79.05502	4.4
81.03429	2.0
81.07047	3.6
83.04995	0.9
83.08649	0.9
85.02912	4.0
87.04504	0.4
91.03965	2.4
91.05473	2.6
93.07050	4.6
95.04984	1.4
95.08612	1.5
97.02891	4.3
97.06542	1.5
97.10196	1.4
97.14809	0.4
98.20771	0.5
99.04493	0.6
101.02392	1.5
105.07059	1.4
107.08611	3.0
109.02895	0.7
109.06546	0.5
109.10175	1.0
117.07003	0.7
119.08570	1.8
121.10172	1.1
125.09686	0.5
127.03950	1.4
131.08620	0.6
133.10124	0.8
135.11696	3.7
137.09671	0.5
145.04968	0.5
145.10149	1.4
147.11742	0.5
161.09535	0.5
163.11252	1.1
184.07356	0.6
185.04314	0.6
221.11569	0.8
243.08441	3.5
255.15750	0.6
277.14197	0.6
333.20490	2.2
389.22937	0.5
439.19440	10.9
439.25177	0.7
483.38770	0.4
551.28345	4.5
749.40845	100.0
750.41125	4.3
763.93292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01864	2.6
55.05270	1.9
55.05512	19.6
57.03435	12.6
57.07078	7.5
61.02919	2.7
61.93151	0.8
65.03918	1.4
67.05506	26.2
69.03423	3.1
69.07068	28.0
70.21983	1.8
70.22352	3.3
71.04981	2.7
71.08633	2.7
73.02905	1.6
76.22660	0.9
79.05489	17.4
81.03419	40.6
81.06591	1.4
81.07058	27.3
82.20020	0.9
83.04984	12.1
83.08617	28.9
85.02898	19.4
85.06536	3.5
85.10167	2.3
89.06036	1.3
91.05483	20.1
93.07045	15.9
95.04977	16.9
95.08608	23.6
97.02870	4.6
97.06508	4.0
97.10172	10.0
98.20835	1.5
99.08087	2.1
105.07025	14.1
106.29192	0.9
106.79431	0.9
107.04935	4.2
107.08600	9.4
109.06484	2.6
109.10146	9.9
110.07133	1.6
111.04435	2.1
111.08082	8.3
111.11739	2.8
113.50051	1.1
117.07013	1.1
119.08582	12.3
121.06515	1.5
121.10152	13.3
123.08073	1.0
123.11713	2.3
124.39236	0.9
125.02398	1.0
125.09613	1.8
129.07018	6.8
131.08546	6.3
133.06441	2.3
133.10121	8.7
135.11682	5.3
137.09627	1.8
142.07735	1.4
145.10062	1.1
147.08047	2.7
147.11707	10.1
149.09630	2.6
149.13255	3.1
157.10123	10.4
165.12714	2.5
170.65698	1.0
175.11214	10.9
193.12241	28.3
194.12477	1.2
211.13292	48.7
247.24120	1.2
265.25284	1.9
267.15903	16.4
285.16959	60.7
339.28922	62.6
340.29114	1.3
354.81607	1.1
389.36142	1.0
420.97226	1.0
462.55301	1.2
491.37036	1.6
531.40466	13.9
545.48236	1.1
549.41492	100.0
550.41809	2.6
746.43591	7.5
747.41779	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35891	0.5
55.01876	1.0
55.05515	1.4
57.03440	1.7
61.02929	3.6
67.05504	2.0
69.03439	2.1
69.07065	1.4
70.64885	1.0
70.65266	1.1
71.01322	0.5
71.04990	1.2
73.02923	3.9
79.05493	2.8
81.03431	3.3
81.07069	1.6
83.04982	1.1
83.08644	0.7
85.02909	4.4
87.04501	0.6
91.03955	2.5
91.05485	2.3
93.07063	1.4
95.04973	1.0
97.02911	2.9
97.06535	1.0
99.04475	1.3
101.02406	0.9
105.07046	1.4
107.04958	0.9
107.08647	0.8
109.02828	0.7
109.10123	1.0
117.05479	0.5
119.08596	1.1
121.10185	1.6
127.03941	2.3
129.05490	1.7
131.04889	0.6
131.08652	0.8
133.10170	0.9
145.04988	0.7
145.10104	0.6
147.11696	1.1
175.11270	1.2
181.04784	0.8
185.04184	3.9
193.12308	1.2
201.03859	1.4
201.75691	0.6
207.13664	1.2
215.60437	0.6
233.11494	0.5
241.06905	0.5
242.70445	0.6
243.08406	2.9
257.73450	0.5
265.14139	0.6
283.15161	9.2
301.08975	14.5
302.09222	0.5
309.16669	2.4
315.10626	2.2
323.18292	3.1
327.10577	0.6
329.12155	0.7
339.17926	1.3
341.12134	0.9
343.13620	0.7
357.15353	0.8
373.11124	4.2
381.18857	5.8
383.16830	1.2
385.18286	7.0
395.20602	0.9
397.18250	0.7
399.20004	2.4
415.15701	0.6
427.19406	5.9
427.93243	0.7
429.17303	1.1
439.19284	0.6
443.18860	1.4
465.28253	2.4
469.20361	3.4
471.22256	0.7
483.22308	1.1
483.28888	0.6
485.19614	1.0
499.21396	3.3
501.23230	14.6
502.23645	0.6
511.28851	1.1
517.23004	1.4
529.22662	12.0
543.24158	0.8
545.22308	1.1
568.64056	0.6
573.25189	10.1
585.31964	0.7
587.27124	2.8
601.28931	2.6
613.32007	1.4
615.29742	1.5
629.31598	0.8
641.31549	2.5
643.33051	5.0
657.34552	1.1
683.36005	0.8
685.34387	1.1
687.35962	1.0
699.35614	0.9
727.34705	1.6
728.36145	0.6
745.36127	100.0
746.36475	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	745.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04030	0.4
55.05390	0.5
55.05625	0.8
57.03271	0.7
57.03575	1.3
61.02732	1.9
61.03094	2.5
61.46146	0.3
65.04101	0.3
67.05306	3.0
67.05711	3.2
69.03226	1.3
69.03653	1.2
69.06895	0.4
69.07257	0.4
69.23318	3.5
71.01523	0.4
71.05185	0.7
73.02702	1.5
73.03146	1.1
74.11285	0.3
76.22751	0.4
79.05277	1.1
79.05763	0.6
81.03185	2.8
81.03727	1.7
81.06829	2.0
81.07370	1.2
83.04806	0.9
83.05235	0.6
83.08425	0.9
83.08938	0.6
85.02664	3.9
85.03253	2.2
87.04292	0.6
91.03714	2.1
91.04332	0.7
91.05231	2.1
91.05862	1.0
93.06818	0.9
93.07422	0.7
95.04776	0.8
95.08344	1.2
97.02632	2.9
97.03334	1.2
97.06367	0.4
98.79387	0.3
99.04227	1.1
99.04874	0.6
99.82618	0.3
101.02132	1.0
103.63261	0.4
105.06767	1.2
107.08372	0.7
107.08993	0.4
109.02643	0.8
109.03304	0.5
109.09882	5.7
109.10718	1.7
111.07880	0.7
111.08543	0.4
115.03693	0.5
115.05152	0.3
117.06762	0.4
117.73972	0.4
119.08300	1.8
119.09235	0.8
121.09874	1.2
127.03612	1.8
129.06808	0.7
131.08356	0.7
131.18396	0.3
133.09956	0.5
135.11383	0.5
139.80638	0.4
145.04707	0.6
145.09917	0.4
147.11369	1.1
149.09402	0.7
155.10352	1.2
155.11516	0.5
157.09924	0.5
173.11423	2.5
175.10919	0.7
185.03851	1.1
189.16176	0.5
193.11873	1.7
195.09712	0.8
203.05095	0.5
203.17694	0.5
209.85898	0.3
211.12927	1.0
229.14346	2.1
243.08376	2.8
251.12601	1.7
257.57983	0.4
259.07745	0.5
283.14941	0.8
301.08194	0.5
307.15192	0.7
381.84595	0.4
391.37653	0.4
394.72931	0.3
413.17838	13.5
469.20453	10.8
470.21008	0.5
501.23010	1.4
542.13562	0.5
641.31433	100.0
642.31720	2.9
673.34070	0.6
699.35529	1.2
727.35449	1.4
745.35980	36.5
746.36743	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.7
55.05502	0.8
56.96579	1.0
57.03431	1.2
61.02919	1.7
66.98213	0.4
67.05498	1.8
67.84058	0.5
69.03424	1.4
71.04997	0.6
71.53489	0.6
73.02911	1.6
79.05502	1.4
81.03440	2.6
81.07056	1.3
83.04987	0.7
83.08631	0.5
85.02911	2.2
91.03964	1.0
91.05491	2.0
93.07050	1.4
95.04967	1.1
95.08617	0.9
97.02897	1.9
97.06538	1.1
99.04463	0.6
105.07030	1.3
107.08635	1.0
109.02899	0.5
109.10171	1.0
112.99202	0.5
119.08620	1.2
119.49429	0.5
119.85567	0.4
120.10103	0.4
121.10181	1.0
125.49430	0.4
125.71482	0.4
127.03909	0.8
131.00229	0.6
133.10172	0.6
135.11734	0.6
145.02838	0.7
145.10159	0.7
147.11613	0.9
149.09702	0.5
157.10072	0.7
177.05440	2.2
204.60037	0.4
243.08542	1.1
249.11049	0.6
267.08997	3.9
267.15753	0.7
283.15277	1.4
285.10031	3.3
299.11716	0.5
299.15009	0.5
349.64777	0.4
352.53107	0.5
357.97189	0.5
439.19327	0.7
467.19342	2.3
469.20746	0.9
471.16946	0.5
485.16614	2.5
501.23041	3.1
565.29395	0.6
641.30725	0.9
643.75238	0.6
667.33337	2.0
677.28711	0.6
727.35175	2.4
745.34454	100.0
746.35248	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	744.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01870	4.3
55.05271	1.4
55.05512	18.0
57.03437	10.5
57.07074	6.0
59.04997	1.7
61.02931	3.8
65.03915	0.8
67.05499	15.3
67.37677	0.8
69.03419	1.6
69.07067	19.8
71.05004	3.6
71.08614	3.3
73.02900	1.2
79.05498	13.8
81.03422	6.6
81.07053	20.7
83.01338	5.7
83.04977	6.4
83.08149	1.4
83.08619	18.3
85.02906	5.1
85.10147	1.0
91.03951	0.8
91.05490	6.7
93.06486	1.2
93.07042	18.0
95.04961	3.4
95.07986	1.1
95.08604	16.1
97.02884	3.3
97.06522	3.3
97.10170	7.6
99.04416	0.9
105.07024	4.8
107.04949	4.7
107.08591	11.6
109.06525	4.4
109.10140	6.9
111.04437	1.3
111.08064	2.2
111.11702	2.6
117.06985	4.4
119.08589	5.5
121.06481	1.4
121.10117	9.2
123.08083	4.1
123.11713	1.8
125.05958	0.8
125.09528	1.0
130.07826	0.9
131.08549	1.7
131.36659	0.8
133.10112	1.3
135.11688	10.5
137.09598	1.5
137.13191	1.0
143.08458	0.8
145.10110	9.0
147.08037	1.0
149.13258	1.7
153.12741	2.4
155.08464	0.8
163.11177	13.1
173.09618	2.2
175.30214	0.7
181.12195	2.1
184.07335	1.8
185.23575	0.8
191.10553	1.7
209.11664	4.9
227.12842	3.3
229.15903	1.2
247.23953	0.8
265.25308	2.5
268.64987	0.8
283.15387	100.0
284.15753	1.0
339.28931	74.2
340.29156	2.1
547.39954	51.8
548.39911	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.5
55.01870	7.4
55.05267	2.1
55.05515	28.2
56.96572	3.3
57.03439	21.7
57.07069	3.5
60.08161	2.7
61.02925	5.3
65.03934	4.0
66.92474	1.4
67.05508	83.2
67.50642	1.2
69.03432	5.4
69.06731	2.3
69.07076	33.8
71.01352	5.4
71.02529	1.3
71.04992	6.0
71.07348	1.6
73.02918	2.3
75.44138	1.3
79.05499	69.4
81.03416	15.3
81.07062	63.3
83.04989	14.8
83.08617	14.5
85.02909	7.7
85.06560	5.3
86.09706	15.8
91.03956	1.4
91.04904	2.2
91.05486	46.7
93.07050	77.7
95.04985	13.1
95.08617	26.4
97.02888	6.2
97.06535	24.1
97.10178	18.9
98.97579	1.4
99.04461	2.6
99.08089	4.4
105.04517	1.4
105.07036	29.9
107.04981	8.9
107.08600	59.7
109.02888	2.6
109.06548	6.6
109.10160	13.5
111.08099	5.7
113.09709	1.4
115.05436	2.7
116.98637	1.3
117.07022	17.6
119.08593	21.7
120.89279	1.3
121.06535	6.5
121.10155	16.8
123.08071	4.3
123.11742	1.9
125.00011	11.1
125.09634	9.7
127.03936	4.3
129.07002	4.1
131.08577	16.9
133.06514	1.6
133.10133	20.4
135.08086	4.9
135.11697	64.4
136.12071	1.8
137.09636	3.6
143.08572	4.7
145.06503	1.5
145.10138	24.4
147.11690	9.2
149.09610	15.1
149.13257	8.1
151.11194	3.2
153.12767	2.8
155.08542	1.7
157.10178	3.5
159.11702	12.3
161.09647	2.0
161.13286	5.6
163.11192	14.9
169.10071	2.5
171.11734	3.8
173.04462	3.0
173.11919	1.4
173.13278	5.9
175.11148	2.3
177.12767	4.2
179.14258	1.8
181.12236	14.6
183.11732	3.7
184.07353	52.4
184.09010	3.0
185.13283	1.5
189.11246	6.6
189.12695	1.7
193.12254	2.3
195.13808	2.9
197.13206	2.1
199.13278	2.8
227.12752	16.9
229.19501	2.7
237.14948	2.1
239.17978	4.9
247.20525	2.5
253.14377	1.9
255.15930	100.0
256.16330	2.7
257.19049	14.0
259.20679	1.8
260.95825	1.4
267.08972	1.8
269.17459	11.3
275.20074	33.8
279.93018	1.3
285.10025	1.5
293.21118	5.1
321.04813	1.3
331.22791	4.0
349.23798	30.0
367.25006	1.6
369.01993	1.5
405.68423	1.5
409.25827	3.8
425.25552	11.3
431.28094	1.6
433.29526	3.4
435.27444	26.3
449.29019	86.8
450.28812	2.0
477.96600	1.7
489.31659	1.8
511.34064	1.5
529.35303	68.7
530.35077	1.7
547.36304	8.8
593.32959	4.5
645.38159	1.7
726.42822	2.3
744.44031	2.0
745.40234	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.5
55.01870	7.4
55.05267	2.1
55.05515	28.2
56.96572	3.3
57.03439	21.7
57.07069	3.5
60.08161	2.7
61.02925	5.3
65.03934	4.0
66.92474	1.4
67.05508	83.2
67.50642	1.2
69.03432	5.4
69.06731	2.3
69.07076	33.8
71.01352	5.4
71.02529	1.3
71.04992	6.0
71.07348	1.6
73.02918	2.3
75.44138	1.3
79.05499	69.4
81.03416	15.3
81.07062	63.3
83.04989	14.8
83.08617	14.5
85.02909	7.7
85.06560	5.3
86.09706	15.8
91.03956	1.4
91.04904	2.2
91.05486	46.7
93.07050	77.7
95.04985	13.1
95.08617	26.4
97.02888	6.2
97.06535	24.1
97.10178	18.9
98.97579	1.4
99.04461	2.6
99.08089	4.4
105.04517	1.4
105.07036	29.9
107.04981	8.9
107.08600	59.7
109.02888	2.6
109.06548	6.6
109.10160	13.5
111.08099	5.7
113.09709	1.4
115.05436	2.7
116.98637	1.3
117.07022	17.6
119.08593	21.7
120.89279	1.3
121.06535	6.5
121.10155	16.8
123.08071	4.3
123.11742	1.9
125.00011	11.1
125.09634	9.7
127.03936	4.3
129.07002	4.1
131.08577	16.9
133.06514	1.6
133.10133	20.4
135.08086	4.9
135.11697	64.4
136.12071	1.8
137.09636	3.6
143.08572	4.7
145.06503	1.5
145.10138	24.4
147.11690	9.2
149.09610	15.1
149.13257	8.1
151.11194	3.2
153.12767	2.8
155.08542	1.7
157.10178	3.5
159.11702	12.3
161.09647	2.0
161.13286	5.6
163.11192	14.9
169.10071	2.5
171.11734	3.8
173.04462	3.0
173.11919	1.4
173.13278	5.9
175.11148	2.3
177.12767	4.2
179.14258	1.8
181.12236	14.6
183.11732	3.7
184.07353	52.4
184.09010	3.0
185.13283	1.5
189.11246	6.6
189.12695	1.7
193.12254	2.3
195.13808	2.9
197.13206	2.1
199.13278	2.8
227.12752	16.9
229.19501	2.7
237.14948	2.1
239.17978	4.9
247.20525	2.5
253.14377	1.9
255.15930	100.0
256.16330	2.7
257.19049	14.0
259.20679	1.8
260.95825	1.4
267.08972	1.8
269.17459	11.3
275.20074	33.8
279.93018	1.3
285.10025	1.5
293.21118	5.1
321.04813	1.3
331.22791	4.0
349.23798	30.0
367.25006	1.6
369.01993	1.5
405.68423	1.5
409.25827	3.8
425.25552	11.3
431.28094	1.6
433.29526	3.4
435.27444	26.3
449.29019	86.8
450.28812	2.0
477.96600	1.7
489.31659	1.8
511.34064	1.5
529.35303	68.7
530.35077	1.7
547.36304	8.8
593.32959	4.5
645.38159	1.7
726.42822	2.3
744.44031	2.0
745.40234	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00008	0.5
55.05512	0.9
56.96558	0.8
66.34197	0.5
67.05500	2.1
68.88264	0.6
69.03413	0.7
71.04982	0.5
73.97693	0.5
79.05485	0.8
81.03409	1.3
81.07055	2.4
83.08641	0.9
85.02909	1.4
87.94627	0.5
90.65974	0.5
91.03907	0.5
93.07063	1.0
95.08614	1.5
97.02841	0.5
98.97549	0.6
104.23893	0.6
105.07027	1.1
107.08583	1.3
109.10138	1.9
109.31218	0.6
116.33029	0.5
119.08546	0.8
121.10175	0.7
133.10118	0.6
135.11615	0.7
145.10036	0.6
163.03946	1.3
203.18015	0.6
249.11186	0.6
267.09091	2.0
285.10187	1.0
404.51733	0.7
467.19089	0.7
485.17047	0.8
639.29907	4.2
743.32465	100.0
744.32611	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	742.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	2.3
55.01867	4.5
55.05508	12.5
57.03437	10.9
58.72216	0.7
59.04958	1.2
61.02887	1.2
65.03910	1.0
66.61295	0.6
67.05505	17.8
69.03435	3.7
69.07072	5.6
69.39310	5.7
71.04990	5.0
73.02862	1.5
75.83804	0.7
79.05492	23.2
81.03416	49.3
81.03854	1.6
81.07056	17.1
81.95681	0.7
82.03707	0.8
83.04987	5.8
83.08621	15.9
83.90458	0.6
85.02840	2.5
85.06503	1.5
87.04428	1.1
87.16772	0.6
91.05476	18.6
93.07041	17.0
95.04965	19.5
95.08608	9.9
97.02831	3.0
97.06534	4.1
97.10162	16.1
99.04405	0.8
99.08067	0.8
103.05418	1.3
105.07031	11.5
107.04950	18.5
107.08588	13.9
109.02872	0.7
109.06510	14.9
109.10147	5.7
111.04379	2.0
111.08077	6.0
117.06993	5.4
119.04877	1.7
119.07814	1.0
119.08574	10.8
121.06509	10.8
121.10141	10.8
123.04358	2.0
123.08071	4.5
125.05904	1.4
125.08797	0.7
125.09630	13.5
128.06126	0.8
129.05469	1.0
129.06989	8.7
131.04852	2.3
131.08568	12.5
133.06487	4.4
133.10109	6.6
135.08046	7.2
135.11630	2.1
137.05928	1.3
137.09552	1.4
139.11156	3.7
141.06912	1.9
142.07686	1.6
143.08575	3.3
145.06445	4.9
145.10110	5.2
147.04324	2.3
147.08040	4.3
147.11685	7.4
149.05901	1.1
149.09618	6.7
151.11142	0.8
153.09117	3.2
153.12785	1.0
155.08450	2.3
157.06456	1.3
157.10118	7.8
159.07977	2.0
159.11626	2.4
161.05910	0.9
161.09555	2.2
163.03896	0.8
163.07431	0.9
163.11206	5.7
165.09044	0.9
165.12672	1.1
167.10654	1.3
169.10072	1.9
171.08005	2.4
171.10188	1.4
171.11630	3.2
173.09575	2.1
173.11819	0.9
173.13197	3.0
175.11169	7.1
177.12697	1.6
181.10110	1.2
183.08083	0.6
183.11667	1.4
185.11641	1.2
185.13193	1.3
187.11134	1.2
187.14841	1.0
189.11145	6.1
189.12721	1.5
191.10600	0.9
191.14288	3.7
193.10416	1.1
193.12233	17.3
195.11627	1.6
197.09578	1.0
197.13203	1.4
199.11134	2.2
199.13191	1.4
201.12698	1.2
203.14265	1.0
205.12183	2.5
209.11571	1.0
211.11191	1.5
211.13243	2.9
213.12645	2.0
215.14246	2.6
217.12236	1.1
219.13786	9.2
223.11259	1.0
223.13242	1.8
227.12691	2.2
227.14508	1.2
229.14325	1.6
233.15302	3.0
235.13107	1.4
237.12692	1.2
241.14410	0.8
243.13803	1.1
245.15456	1.1
249.14771	1.5
255.13641	2.4
257.15485	0.8
259.13095	1.3
259.15411	5.5
267.15915	44.5
268.16077	1.1
273.14758	6.5
273.16959	0.7
275.16394	1.7
285.17224	0.9
293.17453	5.9
301.16583	1.0
339.23151	1.9
349.21667	3.5
357.24274	1.9
367.22650	13.2
385.23703	20.3
386.24091	0.8
403.24921	7.5
410.05771	0.7
423.25851	1.0
433.25812	1.6
441.26315	7.8
451.26855	4.6
459.27399	100.0
460.27951	2.4
477.28461	93.7
478.28729	2.3
491.30399	7.7
495.29477	7.9
501.28430	2.0
509.31848	4.2
527.28564	0.8
567.29529	2.7
585.31262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
54.84288	0.6
55.01857	0.6
55.05496	1.7
57.03425	2.2
57.07073	3.5
61.02920	4.5
67.05189	0.7
67.05499	4.3
69.03426	2.3
69.07053	1.8
71.04997	0.9
71.08624	2.2
71.56827	0.9
73.02908	3.7
79.05484	2.5
81.03425	2.3
81.07051	4.7
83.04971	1.0
83.08610	2.3
85.02890	4.6
85.10188	1.3
91.03949	3.2
91.05482	2.1
93.07041	2.0
95.04961	0.8
95.08603	4.3
97.02885	4.3
97.10152	0.8
99.04425	0.8
101.02406	1.3
105.07011	1.2
107.08614	2.3
109.02857	0.9
109.10178	2.3
111.04418	0.7
117.07001	0.8
119.08575	1.3
121.10089	1.3
123.08080	0.7
127.03920	1.8
131.08594	0.8
133.10158	1.4
135.11771	1.5
145.04987	0.7
145.10155	1.1
145.68913	0.6
147.08136	0.7
163.11234	2.6
173.09970	0.5
184.07289	0.8
187.14767	0.6
190.32161	0.6
209.11870	0.8
223.89021	0.5
234.47707	0.7
243.08456	2.7
267.12000	1.6
283.15509	1.3
313.27411	1.7
323.14835	0.7
333.40344	0.7
337.27469	1.1
390.23209	0.6
441.17480	4.2
485.19821	5.7
497.30710	5.9
545.38000	1.2
625.45862	0.6
629.47290	1.2
665.33112	0.7
666.96045	0.6
697.40570	3.0
723.43585	1.1
741.43842	100.0
742.44257	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	741.2026
Annotation	Halistanol Sulfate G
Peak:m/z	Relative Intensity
53.03941	0.6
53.62702	0.2
55.01878	0.4
55.05511	1.5
57.03437	0.8
61.02920	0.5
65.03938	0.3
67.05181	0.2
67.05505	2.2
69.03423	0.7
69.07066	0.7
70.06614	0.2
71.04982	0.7
73.02950	0.2
77.03927	0.5
79.05071	0.2
79.05499	2.5
80.05816	0.3
81.03419	3.7
81.07056	1.7
82.07391	0.2
83.04983	2.2
83.08614	1.1
85.02902	1.4
85.06522	0.3
86.52531	0.2
91.03942	0.2
91.05472	1.7
92.05816	0.4
92.38165	0.2
93.07046	1.3
95.04968	2.1
95.08591	1.0
97.02889	0.8
97.06533	0.8
97.10147	0.4
103.05469	22.1
104.05820	0.2
105.04502	0.4
105.07061	1.2
107.04943	0.7
107.08594	1.1
109.02879	0.5
109.06511	0.3
109.10162	0.8
111.00796	0.2
111.04444	1.1
111.08081	0.4
117.07037	0.5
119.04945	0.3
119.08584	1.0
120.08130	0.2
121.02782	0.2
121.06544	0.2
121.10147	1.0
122.06838	0.2
123.04399	0.3
123.08077	0.3
123.11649	0.2
123.63855	0.2
125.09637	0.4
127.03958	0.3
129.05551	0.2
129.06993	0.5
131.04930	100.0
132.05228	1.1
133.06473	0.2
133.10126	0.7
133.80585	0.2
135.04443	0.2
135.08069	0.3
135.11691	0.5
137.02354	0.7
137.05963	0.3
137.09619	0.2
142.07822	0.2
143.08493	0.3
145.02873	0.2
145.10144	0.6
147.04373	0.8
147.11696	0.5
149.06001	0.4
149.09647	0.4
153.01837	0.8
153.12773	0.4
157.10110	0.5
161.05977	0.2
161.09616	0.2
163.03891	0.6
163.11153	0.8
164.11533	0.4
165.01840	0.5
173.09627	0.4
175.11224	0.4
177.05420	0.4
178.05853	0.2
181.12292	0.4
189.05521	0.2
191.10684	0.4
193.12233	1.2
201.05310	0.3
207.06483	0.2
209.11774	1.2
210.12035	0.3
211.13272	1.1
212.13493	0.3
216.54156	0.2
223.13428	0.2
227.12772	0.6
229.04938	0.9
229.14424	0.3
241.14413	0.5
249.14867	0.2
257.04480	0.6
259.09692	2.0
265.14328	0.3
267.15927	1.7
268.16254	0.5
277.10721	7.8
278.11172	0.4
283.15363	1.1
284.15698	0.4
285.03998	0.3
285.17017	0.8
286.17319	0.2
289.14081	0.2
301.16418	0.6
303.04993	26.2
304.05417	0.4
315.17642	0.2
354.11139	0.2
355.11786	0.3
383.22208	0.5
401.23386	0.2
457.25821	0.4
458.25873	0.5
475.27057	2.2
476.27338	1.9
477.28055	0.2
493.28064	1.1
494.28171	0.7
511.29080	0.5
512.29077	0.5
525.30438	0.4
526.31165	0.3
646.13214	0.2
741.29291	0.3
741.52643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
55.78407	0.2
56.05026	0.7
57.07066	0.2
58.06626	0.6
59.07371	0.2
60.08164	5.4
67.05515	0.8
69.07076	0.3
69.57180	0.2
71.07376	3.0
71.08627	0.2
71.56500	0.2
73.25578	0.2
79.05500	0.5
81.03397	0.2
81.07060	0.6
83.05006	0.2
83.08614	0.3
86.09706	29.0
91.05470	0.4
93.07037	0.5
95.08603	0.5
97.93795	0.2
98.98460	2.6
104.10739	2.2
105.06993	0.2
107.08592	0.2
109.10143	0.4
119.08557	0.3
125.00006	18.4
174.45361	0.2
184.07343	100.0
185.07654	0.4
222.09024	0.2
230.31194	0.2
237.31320	0.2
283.18274	0.2
383.02216	0.2
543.37018	0.5
650.43909	9.4
722.45447	0.2
740.47089	6.0
741.45111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01862	1.1
55.05511	5.6
57.03432	4.0
57.07053	1.0
61.02900	0.7
65.03925	1.1
66.96744	0.6
67.05503	18.8
69.03422	2.4
69.07056	4.0
71.04996	7.6
71.56255	0.8
73.02917	1.3
79.05492	9.2
81.03416	16.5
81.07053	29.0
83.04972	1.6
83.08606	5.3
85.02885	2.2
85.06525	2.0
91.05481	10.9
93.07054	8.8
95.04970	8.8
95.08604	6.0
97.02883	1.9
97.06540	2.9
97.09614	0.6
97.10168	3.2
99.08050	0.6
105.07024	9.6
107.04944	6.3
107.08600	6.0
109.02904	0.9
109.06515	6.3
109.10136	3.9
111.04430	1.1
111.08060	1.6
115.05416	1.2
117.07016	2.9
119.04947	0.9
119.08568	5.9
121.06493	6.5
121.10123	3.6
123.08079	2.4
123.11712	4.5
125.09602	2.1
127.03895	0.8
129.07025	3.1
131.04938	0.9
131.08559	6.8
133.06502	1.6
133.10133	7.1
135.08069	2.4
135.11681	2.0
137.09619	1.1
142.07771	0.7
143.08575	2.5
145.06511	1.8
145.10097	3.6
147.08040	2.6
147.11671	2.2
149.09641	2.6
149.13258	1.5
151.11169	2.1
153.09018	0.7
155.08566	1.2
157.10127	3.7
159.11633	2.0
161.09616	1.2
163.03943	0.7
163.11172	2.1
169.10095	1.2
169.12164	0.8
171.11667	1.5
173.09627	1.0
173.13298	1.6
175.11191	2.5
177.05640	0.9
177.12827	1.0
181.12285	0.9
183.11659	1.0
185.13290	1.5
186.13847	0.8
187.13318	1.3
187.14827	4.6
188.15186	2.6
189.05409	0.7
189.11221	1.1
189.12733	1.3
191.14340	1.4
193.12265	3.6
195.11913	0.6
199.11191	0.8
199.14915	1.0
201.16339	1.1
205.12132	0.8
217.15869	1.0
219.13791	3.0
219.17432	0.7
228.23402	0.7
249.14825	0.8
251.09642	0.7
261.14963	0.6
267.15939	6.5
269.17499	0.7
275.16336	0.8
301.20166	2.8
306.27841	0.8
315.23270	0.9
325.21536	1.3
327.05609	0.7
332.85776	0.6
343.22690	3.9
351.23148	1.1
369.24246	1.7
387.25302	1.2
390.28952	0.9
417.21234	0.8
417.26453	2.6
425.26895	2.3
435.27359	11.1
443.27917	7.7
461.28970	100.0
462.29361	2.6
475.30768	0.9
493.31375	5.0
619.34393	1.2
644.26721	0.7
740.34888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01872	14.7
55.05275	1.8
55.05516	25.4
57.03438	20.9
57.07071	3.0
59.05000	2.7
61.02933	3.0
64.03465	1.2
65.03952	3.0
67.05508	38.4
69.03438	7.4
69.07071	10.1
70.06571	1.4
71.01355	3.0
71.04982	5.4
73.02907	5.1
79.05497	40.3
79.14948	1.3
81.03422	100.0
81.07056	29.8
82.04208	5.0
83.04978	26.4
83.08624	27.7
85.02898	7.9
85.06547	2.1
87.04488	1.6
91.05483	34.6
93.07049	31.0
95.04972	36.3
95.08607	15.4
97.02884	7.9
97.06546	12.2
97.10180	14.4
98.07306	3.7
98.20722	2.7
99.04436	2.2
99.08090	2.0
101.44505	1.4
105.04546	1.1
105.07031	20.7
107.04959	20.4
107.08599	19.7
109.02925	2.5
109.06525	6.8
109.10160	15.6
111.04453	11.3
111.08088	14.4
115.05493	1.2
116.04715	9.9
117.05509	3.5
117.07016	7.7
119.04963	2.7
119.08595	21.1
119.77465	1.3
121.02867	4.6
121.06487	7.2
121.10156	13.7
123.04411	1.7
123.08064	6.6
123.11719	1.7
125.05956	1.3
125.08768	2.1
125.09626	21.0
127.03925	1.7
129.04626	2.1
129.05501	20.8
129.06982	11.4
131.04915	2.1
131.08578	15.6
133.06512	4.8
133.10144	11.0
135.04428	4.0
135.08055	4.8
135.11703	16.9
137.05893	2.4
137.09596	2.9
139.07594	1.6
141.06998	2.3
142.07782	2.5
143.07028	6.0
143.08551	1.9
145.06531	2.0
145.10126	10.4
147.04417	2.5
147.08099	6.5
147.11687	12.5
149.05969	1.4
149.09654	8.6
153.09186	2.5
153.12772	23.1
155.08530	2.3
157.08617	9.9
157.10129	12.6
159.07986	1.6
159.11691	2.3
161.09584	1.9
163.03960	3.8
163.11180	23.0
165.12741	3.9
171.10222	4.4
171.11588	1.7
173.09619	4.9
173.11810	6.0
173.13058	1.7
175.11188	12.4
181.12241	18.1
183.11684	1.5
185.13280	1.6
189.05478	1.8
189.09496	1.7
189.11237	12.7
191.10651	11.1
193.10484	2.2
193.12251	38.3
199.13264	4.7
201.12735	3.7
201.14651	2.3
203.14395	1.5
205.12224	2.3
209.11696	12.4
211.11432	1.6
211.13266	7.2
213.12749	2.3
219.13835	4.3
227.10550	2.5
227.12794	48.7
229.12236	1.8
229.14377	16.5
231.13837	4.8
247.13309	29.5
249.14888	4.6
255.16083	2.0
259.13156	1.7
265.14328	2.7
267.15930	95.8
268.16364	1.7
283.15421	31.1
285.16995	4.4
301.13449	1.7
301.16528	33.2
309.16876	1.3
315.05038	9.1
316.05435	5.9
321.16898	7.5
339.18100	2.5
355.22760	2.5
365.21106	2.5
383.22125	5.4
387.91940	1.5
401.23126	4.4
419.24292	1.7
421.25909	1.8
439.26889	3.5
447.27502	2.6
457.25592	6.5
458.26849	1.9
459.27057	1.7
461.28714	1.5
475.26944	43.0
476.27258	2.3
493.28006	38.5
525.30463	4.5
659.44910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.2
55.01875	10.2
55.05515	38.9
57.03439	25.2
57.07092	2.2
59.04711	2.1
59.05002	35.2
61.02921	5.9
64.60699	1.3
65.03944	2.2
67.05507	99.9
67.97486	1.2
69.03442	7.2
69.07065	14.2
70.79337	1.4
70.79667	3.2
71.01364	2.1
71.04999	16.8
73.02915	2.9
79.05493	47.4
81.03420	80.5
81.07058	49.9
83.04982	23.9
83.08160	0.8
83.08621	36.2
85.02910	26.2
85.06540	5.4
87.04473	39.2
91.03983	3.1
91.05485	54.3
93.07050	37.3
95.04975	28.8
95.08612	22.0
97.02895	8.8
97.06528	8.6
97.10170	15.0
99.04468	19.2
99.08092	2.2
103.05516	1.7
105.07033	30.9
107.04961	15.7
107.08597	20.9
109.02892	1.6
109.06516	7.9
109.10158	69.1
111.04425	9.6
111.08085	17.8
113.06004	3.5
115.05525	2.3
117.07028	4.6
119.07801	2.7
119.08582	29.2
119.09373	2.5
121.06507	3.4
121.10138	12.8
123.08101	5.2
123.11677	1.8
125.05973	1.7
125.09635	15.7
127.03938	1.5
129.07010	14.7
131.08595	17.3
133.06512	3.7
133.10126	13.7
135.08083	3.8
135.11694	6.0
137.09663	5.2
142.07790	3.3
145.10092	7.3
147.08051	4.8
147.11697	17.4
149.09610	9.5
153.12743	8.5
155.10684	6.5
157.10146	15.7
161.06039	1.9
163.11131	9.5
165.12746	2.8
173.09526	1.5
173.11755	17.0
175.11189	17.1
181.12253	3.8
189.11278	2.3
191.10686	5.2
193.10420	2.6
193.12234	53.2
199.13266	9.2
209.11740	5.5
211.13295	81.5
212.13702	1.8
217.14348	2.5
223.13364	2.3
227.12807	13.2
229.14351	74.5
235.13249	1.3
241.14381	4.9
247.13191	1.8
265.14447	1.4
267.15900	35.9
283.15372	11.4
285.16995	49.3
295.15436	1.4
301.16473	1.5
313.16501	2.6
315.18085	7.0
355.95703	1.4
383.21735	1.9
401.23108	2.0
409.25992	6.1
421.25812	26.3
427.27005	8.8
439.26938	100.0
440.27756	2.2
457.25894	2.4
475.27023	17.7
493.27802	5.0
525.30707	6.5
543.31909	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	739.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
53.79856	2.4
53.90804	2.7
55.01870	23.8
55.05274	3.3
55.05516	43.4
56.10674	2.4
56.98320	2.6
57.03440	21.6
57.07078	4.8
59.04987	3.3
59.11216	2.6
59.73149	2.6
61.02937	14.3
63.61452	2.5
65.03928	7.4
67.05507	92.3
68.05866	3.4
69.03427	23.0
69.07073	29.8
71.04997	14.6
71.41714	4.2
73.02920	6.8
76.72182	2.7
79.05496	81.9
81.03425	88.6
81.07060	100.0
83.04984	31.1
83.08620	34.0
85.02914	39.8
85.06536	8.1
87.04472	3.3
89.90601	3.0
91.03946	5.4
91.05489	89.9
93.06481	4.6
93.07047	72.5
95.04974	36.9
95.08613	39.8
97.02911	24.1
97.06535	38.2
97.10154	23.4
97.14348	2.5
99.04456	7.8
99.08084	3.4
101.44699	2.9
103.05460	4.1
105.07038	79.6
107.04964	29.5
107.08595	51.4
109.02880	9.3
109.06533	16.6
109.10154	25.5
111.04441	7.3
111.08100	20.5
115.05432	3.7
117.07013	20.5
119.08590	61.6
121.06505	8.9
121.10159	27.0
123.08113	4.0
123.11665	5.6
125.09646	21.0
127.03930	9.7
129.05484	3.2
129.07021	24.5
131.08575	41.7
133.06528	5.4
133.10143	42.1
135.08047	6.4
135.11688	11.8
137.05888	3.2
137.09615	6.9
141.07022	3.5
142.07750	6.2
142.92058	2.6
143.08582	9.2
145.06500	4.9
145.10153	32.2
147.08052	8.4
147.11699	40.4
149.09624	31.4
149.13261	7.5
151.11150	7.0
153.09166	4.3
155.08540	6.9
157.10118	23.9
159.11713	14.9
161.09572	5.4
161.13281	9.3
163.11209	12.7
165.12708	6.3
167.08527	4.3
169.10136	6.5
171.11717	10.8
173.04495	10.7
173.09764	3.1
173.13190	6.7
175.11197	22.2
177.12762	4.9
179.14316	4.7
181.10130	3.1
183.11655	4.1
185.13292	4.7
187.11180	3.3
189.11171	8.4
193.12259	59.3
197.13260	3.8
199.11270	3.3
199.14845	5.2
201.12717	5.5
211.13284	71.7
221.15303	3.0
224.91110	2.6
227.12807	37.1
227.31589	2.7
229.14230	6.0
233.15465	3.8
239.18178	3.0
247.20544	3.6
255.08969	3.1
257.19025	10.5
267.08899	3.6
267.15964	45.5
269.17459	7.4
275.20090	73.5
277.21863	2.9
283.15396	4.8
285.16992	70.4
293.21115	9.1
299.19855	3.2
331.22791	2.9
349.23727	52.6
351.25125	5.5
367.24683	5.7
381.22928	5.1
409.18530	3.4
429.21301	6.2
437.25507	6.2
439.26810	3.6
455.26407	7.5
461.28766	8.6
463.30688	5.7
471.02133	3.0
479.29926	14.5
501.32108	4.9
523.33838	4.7
541.35266	38.0
559.36267	60.8
577.37488	31.8
623.34070	12.0
685.38599	4.0
703.40411	7.9
721.41113	7.2
739.36267	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	738.496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.05502	1.3
56.05023	0.5
57.03440	1.9
57.07076	4.1
58.06604	0.6
59.06115	0.3
60.05629	0.4
60.07883	0.5
60.08160	5.3
61.02908	0.3
67.05502	3.0
67.96942	0.3
69.03437	0.5
69.07074	1.4
71.04977	0.4
71.07368	3.1
71.08627	3.2
71.57233	0.3
76.42539	0.3
79.05486	1.4
81.03414	9.5
81.07049	3.2
83.04982	0.6
83.08620	3.2
85.02879	0.3
85.10194	1.9
86.09701	28.4
91.05465	2.0
93.07042	1.4
95.04967	3.3
95.08605	3.3
97.02885	0.6
97.06541	0.4
97.10152	1.1
98.98450	2.9
104.10713	1.5
105.07033	1.4
107.04928	0.9
107.08600	0.5
109.10165	1.9
111.08047	0.6
111.11776	0.3
117.07013	0.3
119.08587	1.5
121.10125	1.1
123.08033	0.3
123.11695	0.6
124.99998	19.8
129.06995	1.0
131.08540	0.7
133.10086	0.5
136.87527	0.2
137.13281	0.3
142.07730	0.3
146.74780	0.3
147.08063	0.6
147.11681	0.9
149.09579	0.4
157.10112	1.3
175.11147	1.0
178.64355	0.2
184.07332	100.0
185.07689	0.9
193.12216	4.0
193.96129	0.2
211.02876	0.3
211.13316	0.6
239.23756	0.5
249.14729	0.4
257.24609	0.6
267.15906	19.4
309.16852	0.6
313.27353	16.9
314.27646	0.6
368.69940	0.3
505.38873	14.8
506.39191	0.4
547.39734	0.5
688.45380	11.3
689.45160	0.4
699.63293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.5
55.01880	27.1
55.05519	38.1
56.96568	4.0
57.03195	2.8
57.03443	25.4
57.07077	3.2
61.02932	13.1
65.03930	4.1
65.27077	2.8
67.05508	79.9
68.58411	2.4
69.03142	2.5
69.03432	27.8
69.07070	27.8
70.37838	2.4
71.04998	12.9
71.05324	2.4
71.56171	3.6
73.02906	6.3
74.87009	2.4
79.05502	78.1
81.03426	98.5
81.06599	5.6
81.07063	100.0
83.04989	27.6
83.08155	3.6
83.08621	36.1
85.02910	39.3
85.06538	5.6
91.03946	5.8
91.05487	84.8
93.07052	63.0
95.04975	40.3
95.08620	40.6
97.02907	24.7
97.06535	38.3
97.10178	16.7
99.04453	7.2
99.08118	5.3
103.03934	3.4
105.07037	79.2
106.07372	2.5
107.04970	31.4
107.08608	48.2
109.02871	9.4
109.06522	12.1
109.10151	25.8
111.04411	9.9
111.08081	13.4
113.06037	2.4
115.05458	3.8
117.07030	20.6
119.08595	53.3
121.06483	10.1
121.10138	27.5
123.04483	3.7
123.08067	11.8
123.11665	5.9
125.09631	15.8
127.03914	8.5
128.06172	3.2
129.07019	22.9
131.08585	40.3
133.06476	4.7
133.10127	44.9
135.08037	9.4
135.11670	9.2
137.09573	6.1
141.06992	4.2
142.07736	2.8
143.08551	8.8
145.06451	2.9
145.10114	25.7
147.08037	9.4
147.11702	39.1
149.09642	26.9
149.13277	7.5
151.11200	4.5
153.09093	3.9
155.08594	6.5
157.10149	20.4
159.11684	14.4
161.09573	4.6
161.13309	6.4
163.11162	15.0
165.12744	4.3
169.10120	7.6
171.11705	5.4
173.04495	5.5
173.09550	3.0
173.11787	3.3
173.13281	6.8
175.11209	14.5
177.12773	5.0
179.14304	5.8
183.11679	6.8
185.13211	3.6
187.11232	4.0
187.13171	2.7
189.11201	9.0
191.10703	3.4
193.12273	55.4
195.11781	3.2
205.12363	3.5
211.13309	70.4
227.12770	34.7
229.14282	8.0
239.17859	3.3
245.13803	3.8
247.20526	3.2
253.14255	3.1
257.18970	10.2
267.08832	4.1
267.15939	34.9
269.17493	6.3
275.16986	4.2
275.20059	74.7
283.15347	3.2
285.10144	5.9
285.16974	58.6
291.19321	2.5
293.12347	2.8
293.21140	5.8
299.01321	2.5
299.19904	3.4
331.22580	4.4
349.23785	40.9
355.17499	2.7
367.24774	6.2
381.22705	4.4
413.21756	3.3
429.20929	9.1
437.25403	5.3
439.27036	3.7
443.28125	3.2
455.26242	4.9
461.28955	10.3
463.30557	5.4
467.31546	4.0
479.30255	24.8
501.32681	3.3
513.35516	2.9
541.35437	30.4
543.26770	3.1
559.36377	65.3
577.37439	25.4
578.38068	3.7
623.34424	12.2
703.40106	7.1
721.40601	9.0
739.38135	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	738.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	1.3
53.03949	3.1
55.01880	3.4
55.05511	12.1
57.03435	11.7
57.86388	0.6
59.04961	2.1
61.02903	1.2
65.03930	1.3
67.05502	15.7
69.03423	3.6
69.07069	4.3
70.06567	0.6
71.01317	1.4
71.04954	1.9
73.02895	1.3
74.36576	0.5
79.05074	1.0
79.05492	13.2
81.03416	57.0
81.07056	15.4
83.01328	0.7
83.04982	5.7
83.08620	18.3
85.02910	2.8
85.06527	1.6
87.04437	0.6
91.05480	21.6
93.03372	0.6
93.06493	1.0
93.07045	15.8
95.04389	1.0
95.04969	19.0
95.08610	6.7
97.02880	5.0
97.06541	4.3
97.10176	5.3
98.21532	1.3
99.00225	0.8
99.00815	10.1
99.04419	1.0
99.08083	1.3
103.05417	0.9
105.07033	17.2
107.04945	8.2
107.08594	9.4
109.02879	9.6
109.06512	5.3
109.10149	5.4
111.04415	3.5
111.08080	7.8
113.05956	1.0
115.03924	1.7
115.05413	1.3
117.07034	3.2
119.04907	0.9
119.07718	0.9
119.08572	15.4
121.06493	7.0
121.10143	5.6
123.04399	2.6
123.08022	2.5
123.11676	2.0
125.09644	4.1
125.10398	0.8
127.03888	1.4
128.06195	1.4
129.07016	5.8
131.08553	7.6
133.06516	3.2
133.10126	27.4
134.10439	0.7
134.62692	0.5
135.08040	2.9
135.11667	2.4
137.05952	1.7
137.09590	1.9
139.07501	2.1
142.07780	1.0
143.08553	4.5
145.06459	2.0
145.10086	3.9
145.91714	0.6
147.04347	1.0
147.08093	2.8
147.11668	5.2
149.09608	5.0
151.11191	9.0
153.07065	1.0
153.09065	0.8
153.12762	0.7
157.10138	7.7
159.11659	0.9
161.08304	1.1
161.09610	17.1
163.03845	2.5
163.11171	4.1
165.12743	1.8
171.08054	4.2
173.09552	1.3
173.13141	0.7
175.11191	7.3
179.10670	7.9
185.13181	0.6
189.05487	3.8
189.09091	9.9
189.11154	3.0
189.12691	0.9
190.05765	1.2
191.10643	1.7
191.14256	1.0
193.12242	20.1
194.12660	0.8
197.11725	1.7
207.10146	2.8
209.11792	2.8
211.13339	3.6
219.13788	8.1
225.11211	10.9
227.12715	2.9
235.13460	1.0
237.14720	0.8
241.14363	1.2
243.12213	1.6
249.14853	1.6
259.09641	1.2
263.12888	1.4
267.15903	90.4
268.16177	1.5
273.14722	0.7
281.13809	6.4
283.15433	6.1
285.16949	2.9
291.80600	0.6
299.14886	64.7
301.16632	1.0
353.21353	0.7
367.22638	1.1
371.22144	0.9
381.20569	1.1
385.23444	0.8
389.23193	1.9
399.21732	1.8
417.22675	2.0
441.26019	0.7
445.25839	10.1
455.24457	1.7
459.27390	5.9
463.26877	6.8
473.25375	29.6
474.25516	0.9
477.28525	6.6
491.26376	100.0
492.26932	3.9
509.27396	7.8
523.28906	1.8
529.90283	0.6
533.27295	2.7
541.29242	0.7
568.46326	0.7
599.29651	0.8
617.30139	1.0
635.29926	0.8
648.61719	0.7
749.11371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01863	5.4
55.05512	22.0
56.96542	0.9
57.03439	14.6
57.07057	1.4
57.79578	0.7
59.04712	1.4
59.05004	28.2
61.02933	4.1
62.55982	0.8
65.03949	2.0
67.05504	59.8
69.03440	5.3
69.07074	6.0
69.79262	1.8
69.79688	2.8
70.49329	0.8
71.01355	1.7
71.04990	9.2
73.02901	2.1
79.05492	25.0
80.05829	1.2
81.03416	12.4
81.07053	25.0
83.01337	3.3
83.04981	7.6
83.08624	12.7
85.02905	8.5
85.06541	3.3
87.04469	33.0
91.03957	0.9
91.05480	16.3
92.01996	0.9
92.05811	0.8
93.06481	1.7
93.07041	23.7
93.07625	1.1
95.04978	8.6
95.08604	16.2
97.02895	7.0
97.06532	5.3
97.10175	8.7
98.97574	0.7
99.04446	10.6
105.07037	10.2
107.04960	8.7
107.08597	16.6
109.02897	1.1
109.06527	4.2
109.10155	47.1
109.73682	0.7
111.04443	4.2
111.08069	3.0
115.03917	1.1
117.07009	7.0
119.08575	12.9
121.06528	3.9
121.10136	7.3
123.08041	5.0
125.05971	1.8
125.09637	6.2
127.03912	2.4
129.05536	1.0
129.06984	2.4
130.07785	1.5
131.08566	4.7
133.06474	0.8
133.10101	4.0
135.08051	2.8
135.11693	19.0
136.08313	0.8
137.06097	0.8
137.09593	2.9
143.08604	1.6
145.10123	19.0
147.08015	1.5
147.11664	1.5
153.12767	3.0
155.08615	1.7
155.10637	3.8
157.10121	1.1
163.03896	1.1
163.11176	31.1
173.04402	0.8
173.09624	2.0
173.11745	15.0
181.12239	4.4
184.07323	1.1
191.10663	3.8
193.12221	1.4
199.13242	6.7
209.11716	8.1
211.13380	1.7
223.13440	1.1
227.12778	30.0
228.13057	0.9
229.14346	55.9
230.14609	1.2
241.14357	3.0
246.85399	0.9
257.13925	2.1
265.14569	1.1
267.15967	3.7
273.18436	1.0
283.15396	62.2
285.16885	0.9
309.10825	0.8
311.14807	3.3
312.67734	0.8
315.17963	5.9
329.13535	0.8
371.15671	0.8
407.24387	2.1
425.25497	5.5
437.25357	100.0
438.25632	3.3
473.24490	1.0
491.26678	2.6
523.29163	2.2
541.30231	1.5
558.34717	1.6
672.73108	1.0
713.55084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
53.73616	0.9
55.01679	1.0
55.01878	11.0
55.05513	37.0
57.03440	21.9
57.07084	1.2
59.04720	2.2
59.05006	39.0
61.02919	4.3
65.03931	2.5
67.05507	64.6
69.03412	4.7
69.07070	10.9
69.40139	6.5
69.62458	1.0
71.01347	2.5
71.04993	14.5
73.02306	0.9
73.02913	2.8
79.05500	29.2
81.03424	20.4
81.06593	1.8
81.07059	33.5
83.01345	9.4
83.04979	17.7
83.08626	18.7
85.02911	11.9
85.06544	2.9
87.04474	47.8
91.03933	2.2
91.05489	23.7
93.06483	2.0
93.07047	28.9
95.04994	8.4
95.08611	14.6
97.02890	9.1
97.06541	8.0
97.10170	15.4
98.20806	2.5
99.03859	1.4
99.04462	23.4
99.08087	1.4
99.38972	0.9
105.07048	14.4
107.04969	10.8
107.08595	20.0
109.02858	2.0
109.06515	9.2
109.10162	50.9
111.04449	5.9
111.08053	4.8
115.03942	1.4
116.56040	0.9
117.07012	10.7
119.08586	16.0
121.06524	4.9
121.10141	10.0
123.04414	1.7
123.08072	8.4
125.06003	2.4
125.09639	14.3
127.03826	1.4
129.05504	1.4
129.07024	2.6
130.07805	2.5
131.08577	6.4
133.10132	4.2
135.08032	4.2
135.11694	12.1
137.09610	3.9
143.08539	1.7
143.10686	2.0
145.06552	1.3
145.09058	1.5
145.10135	17.6
146.10376	1.0
147.08023	2.4
147.11650	1.4
149.09592	2.3
151.11197	1.0
153.12769	2.7
155.08585	2.4
155.10637	5.2
157.09999	1.3
163.11189	29.0
163.12541	1.5
165.07085	1.1
169.10066	1.5
173.09624	4.5
173.11746	16.6
174.10252	1.2
181.12204	6.4
187.14767	2.7
191.10663	5.5
193.12296	2.3
199.13297	15.3
209.11743	12.5
211.13406	1.2
223.13257	2.6
227.12798	10.0
229.14359	57.9
240.22931	1.3
241.14304	6.2
257.13867	2.3
265.14233	1.3
267.15872	4.7
283.15414	93.7
284.15652	2.6
291.19647	1.2
311.14890	4.4
315.18033	11.3
316.84546	1.0
321.03104	1.0
389.28250	1.2
407.24176	5.5
425.25360	23.4
437.25372	100.0
438.25629	3.4
453.24347	1.3
459.27649	1.7
463.27698	1.0
477.28513	2.0
491.26459	2.8
509.27368	3.3
523.29016	5.3
541.22382	1.2
541.29376	5.6
558.34967	2.2
576.35809	3.2
738.38751	1.5
750.51929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.4
55.01873	24.7
55.05271	4.7
55.05516	55.7
57.03442	26.2
57.07058	3.7
59.04954	3.4
61.02924	10.8
62.97520	2.8
65.03937	7.9
67.05512	96.3
69.03430	30.5
69.07074	37.9
69.25252	31.9
71.04984	14.9
73.02913	5.9
79.05496	99.5
81.03425	91.9
81.07059	100.0
83.01333	4.5
83.04979	39.4
83.08616	35.3
85.02913	29.4
85.06512	6.0
91.05482	78.0
93.07049	82.8
95.04969	42.9
95.08623	45.1
97.02888	24.4
97.06523	29.8
97.10184	27.1
98.20821	6.7
99.04434	11.8
103.05484	3.2
105.07038	72.5
107.04972	35.0
107.08598	54.1
109.02912	17.1
109.06534	23.8
109.10157	38.9
111.04453	19.9
111.08078	14.6
113.05948	3.5
115.05468	4.9
117.07021	35.0
119.08587	58.3
121.06510	9.7
121.10136	29.6
123.04404	4.3
123.08083	24.7
123.11695	7.6
125.09648	19.8
127.03951	16.8
128.06209	3.7
129.05453	4.7
129.07004	13.6
131.08585	34.5
133.06535	9.1
133.10158	35.7
135.08061	15.5
135.11707	27.2
137.09604	11.2
142.07777	4.1
143.08536	8.6
144.09274	3.3
145.06496	11.7
145.10136	38.0
147.08037	12.0
147.11711	20.7
149.09627	28.1
153.12733	9.0
155.08546	5.7
157.10069	16.3
159.08054	5.7
159.11751	17.6
161.09628	7.9
161.13242	9.5
163.11214	32.4
165.09111	6.3
165.12752	7.5
169.10139	6.4
171.11661	9.4
173.09589	8.0
173.13239	7.0
175.11160	11.5
181.12263	5.8
183.11525	5.9
184.07329	3.9
185.13190	5.9
189.11218	18.2
191.10678	6.2
193.12250	29.2
195.11775	4.0
209.11658	6.5
211.13248	26.8
223.13242	6.1
227.12758	43.4
229.14433	10.5
247.20525	4.1
257.19019	12.6
267.15973	23.3
273.18533	15.3
275.20099	53.5
283.15411	81.9
285.17023	11.3
291.19550	59.5
313.21609	7.5
347.22202	6.8
349.23868	35.6
365.23318	24.5
405.76288	3.5
427.19315	4.3
429.21027	12.1
437.25400	5.2
453.24753	12.3
461.29071	8.7
477.28354	20.3
528.37677	10.3
539.33478	10.0
557.34735	88.8
568.54169	3.6
575.28656	4.1
575.35815	42.6
683.37189	5.3
701.38745	6.7
719.39764	35.7
737.40082	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	736.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
53.24994	1.2
55.01878	8.3
55.05275	1.4
55.05514	14.7
55.11972	0.9
56.02682	1.0
57.03437	15.3
57.07077	24.3
58.06599	5.5
59.06108	3.0
61.02919	4.6
62.49437	1.1
67.05507	17.8
69.03422	4.4
69.07072	9.6
71.01357	1.0
71.04993	1.9
71.08633	17.2
73.02915	3.5
74.09707	2.6
79.05495	13.2
79.81982	0.9
81.03417	8.6
81.07055	17.0
82.04194	3.3
83.04988	6.3
83.08622	13.1
85.02911	4.1
85.10189	11.5
86.09735	1.0
87.04477	1.5
89.06042	1.3
91.03947	2.2
91.05480	9.2
93.07037	8.7
95.04980	6.8
95.08604	15.6
97.02908	2.5
97.06536	3.5
97.10188	12.4
98.07333	4.8
99.04405	1.0
101.05997	1.3
101.07127	2.4
105.07036	3.6
107.04956	3.7
107.08610	5.6
109.06523	2.1
109.10151	7.4
111.04442	1.7
111.08080	3.2
111.11678	1.1
116.04703	8.8
117.07036	2.0
119.08575	4.6
121.10134	2.9
123.08085	2.6
123.11729	1.7
124.99964	1.2
125.09632	7.5
127.07498	1.2
129.05487	21.4
129.07004	2.3
131.08556	1.9
133.10135	2.1
135.08040	1.9
135.11670	2.8
137.09633	1.4
143.07045	6.5
143.10690	1.3
145.10118	3.0
147.11664	2.8
149.09634	1.4
153.09151	1.1
157.08601	12.5
157.10097	3.0
163.11205	2.3
171.06567	2.0
171.10164	4.4
175.11316	1.6
184.07362	4.3
189.11238	6.6
193.12143	2.5
199.13293	2.7
200.14052	2.5
209.11743	2.2
210.12544	1.4
221.22708	1.1
227.12819	8.5
239.23636	2.0
255.16014	2.5
267.15936	4.0
283.15402	6.1
299.80908	1.0
301.16452	100.0
302.16617	1.0
313.27368	71.7
314.27750	1.5
325.77762	1.3
367.28479	3.4
438.36734	2.2
451.73499	1.1
466.58926	1.1
499.59030	1.2
505.38782	3.5
521.38379	3.8
539.39429	67.6
540.39325	2.2
564.35864	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	736.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
54.68801	1.5
55.01864	5.3
55.05510	14.4
57.03195	1.6
57.03440	16.0
57.07078	35.8
59.04997	1.8
61.02943	3.2
62.69827	1.4
67.05502	27.5
69.03416	2.3
69.07076	10.9
71.01366	2.6
71.08637	29.3
71.55686	1.6
79.05492	21.5
81.03422	19.4
81.07061	26.0
83.01340	2.1
83.04983	13.5
83.08614	17.1
85.02451	1.6
85.02908	10.1
85.06508	3.2
85.10178	15.9
91.05486	14.4
93.07044	24.1
93.32622	1.9
95.04962	6.6
95.08611	25.0
97.02924	10.8
97.06506	8.6
97.10188	9.2
105.07004	8.7
107.04951	13.6
107.08603	14.6
109.02883	1.5
109.06523	4.5
109.10145	15.4
111.04456	7.2
111.08107	5.0
113.09589	1.8
117.07018	8.7
119.08603	10.4
121.06491	2.7
121.10126	7.3
123.08050	5.2
123.11684	4.6
125.05989	1.7
125.09620	2.9
127.03933	2.2
129.07011	1.9
131.08548	5.5
133.10135	4.2
135.08038	2.6
135.11700	16.8
137.09599	3.0
143.08569	2.0
145.10126	19.5
147.08083	2.5
149.09586	2.3
151.11194	1.7
153.12752	11.2
155.08650	2.0
163.11171	24.0
173.09691	5.1
181.12218	6.5
191.10616	10.0
209.11749	27.4
214.91682	1.9
227.12788	14.8
239.23735	2.6
257.24771	2.8
265.14349	6.8
283.15417	45.5
299.14899	3.9
300.15231	4.6
301.16461	64.7
313.27374	100.0
314.27606	4.7
315.27994	1.9
392.27289	1.6
503.36984	6.0
521.38367	70.1
539.39392	76.0
558.35638	1.7
654.31140	1.8
736.43091	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
54.43027	0.7
55.01899	0.7
55.05512	9.5
57.03440	1.9
57.07074	3.7
61.02931	0.8
65.03947	0.7
67.05510	16.7
69.03437	5.4
69.07075	5.4
70.06583	0.7
70.63688	1.4
70.64014	0.7
71.04999	8.6
71.08652	0.9
79.05493	6.2
81.03423	8.3
81.07059	100.0
83.08630	2.8
85.02913	9.6
85.06537	6.4
89.06037	2.0
91.05486	2.8
93.07045	8.4
95.04981	6.8
95.08612	20.9
97.02892	4.9
97.06548	1.2
97.10173	11.7
99.04453	2.7
99.08097	2.5
105.07034	3.6
107.04930	0.7
107.08588	5.5
109.02153	0.8
109.02886	12.5
109.06511	3.8
109.09512	0.6
109.10151	4.1
111.04438	1.1
111.08107	4.0
113.06002	1.6
119.04921	1.1
121.10159	2.6
123.08073	1.5
123.11711	90.3
125.09628	0.8
127.03912	11.6
129.03381	1.9
133.10136	5.6
135.04457	0.7
137.05952	1.5
139.11168	1.5
141.12766	3.4
145.02820	1.1
145.04910	1.1
147.04408	0.7
151.11191	14.7
152.07066	1.0
159.24289	0.6
161.05965	1.0
163.03920	3.9
169.12247	41.6
177.05467	1.0
179.38661	0.6
181.04913	0.6
187.13298	27.4
189.01822	1.6
189.05490	14.5
191.03430	2.0
191.67873	0.6
205.04816	0.6
209.04448	2.1
219.07994	0.6
229.14455	3.5
249.14833	1.2
277.14352	6.4
287.05487	0.8
295.15414	20.3
313.16458	9.6
331.17517	72.7
332.17880	1.0
341.13898	0.9
341.89963	0.6
359.15018	0.9
397.16400	0.8
442.92709	0.6
457.20670	0.8
736.31085	0.7
737.20111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.6
53.08653	4.1
54.11108	4.1
55.01860	23.2
55.05269	5.3
55.05513	60.7
56.96544	4.6
57.03439	26.3
59.55978	4.0
65.03938	5.1
67.05502	94.0
69.03145	4.7
69.03435	51.2
69.07072	33.4
71.01376	6.6
71.04989	17.7
73.02917	4.6
75.96004	4.4
78.26956	4.0
79.05491	83.2
81.03419	97.5
81.07056	85.3
83.01356	7.5
83.04979	39.3
83.08613	33.8
85.02893	17.8
91.05479	68.9
93.07049	71.5
95.04973	40.8
95.08608	45.1
97.02888	29.5
97.06527	21.8
97.10186	37.0
98.21615	8.4
99.04450	12.9
105.07027	46.6
107.04970	26.2
107.08601	51.9
109.02886	29.2
109.06519	20.1
109.10150	37.7
111.03795	4.4
111.04431	22.1
111.08093	17.3
117.07039	24.7
119.08582	54.1
121.06495	17.5
121.10149	23.6
123.04459	4.5
123.08054	23.4
125.06001	7.8
125.09637	25.3
127.03941	21.0
129.06973	18.6
130.07790	4.9
131.08551	25.1
133.06485	10.6
133.10112	25.0
135.08057	17.9
135.11688	24.4
137.09615	9.8
143.08586	16.2
145.06470	10.5
145.10138	39.0
147.08034	20.1
147.11679	12.2
149.09587	11.0
151.07515	4.6
153.09087	5.3
153.12775	16.7
155.08531	7.9
157.10164	15.5
159.08017	5.4
159.11649	12.7
161.09604	8.4
163.11183	35.3
169.10040	5.6
171.11678	9.0
173.04462	15.9
173.09656	9.4
175.11208	6.1
181.12242	13.0
182.32237	4.9
185.09537	6.0
185.13118	6.0
187.11188	5.5
189.11201	19.2
191.10648	10.0
193.12224	9.1
195.11761	5.3
209.11633	9.0
211.13226	8.8
223.13289	19.5
227.12759	41.1
229.12228	5.6
247.13322	4.5
267.15921	6.8
273.18484	35.7
283.15417	47.1
291.16528	7.4
291.19565	100.0
311.20193	5.1
347.21985	8.1
353.15781	7.8
365.23264	36.4
427.19638	22.2
435.23694	6.1
453.24811	8.3
475.37759	5.0
477.29733	6.1
523.73517	4.5
555.32416	26.5
573.34344	51.8
637.32428	6.0
717.38373	62.5
735.38489	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.1
55.01868	1.6
55.05512	8.9
57.03189	0.9
57.03437	9.9
57.07078	22.6
59.04995	1.6
61.02916	3.1
65.03911	0.8
67.05184	0.8
67.05506	13.2
69.03410	2.6
69.07072	6.1
70.67531	1.7
71.01363	1.3
71.04982	1.0
71.08629	17.4
73.02905	0.7
74.91541	0.7
79.05502	5.6
81.03413	5.1
81.07060	18.0
83.04967	2.3
83.08620	13.7
85.02914	3.8
85.06551	1.4
85.10182	10.4
89.06020	1.0
89.20314	0.7
91.03941	1.5
91.05485	12.3
93.07039	9.3
95.04976	3.6
95.08609	13.6
97.02893	5.6
97.06526	2.1
97.10173	4.6
99.00809	11.1
103.05431	0.9
103.07584	1.2
105.07024	9.3
106.34157	0.6
107.04956	3.2
107.08609	4.1
109.02869	7.0
109.06506	1.7
109.10163	8.2
111.04450	0.8
111.08068	2.8
115.03892	1.4
117.07016	1.9
119.08586	6.4
121.06502	5.1
123.04414	0.9
123.08102	1.0
123.11709	3.3
125.00030	0.9
127.03902	2.1
128.06229	1.3
129.07021	1.1
131.08559	1.6
133.10141	22.6
135.11696	1.5
137.09619	1.1
139.07541	1.9
143.08595	2.9
145.06348	0.7
147.11697	0.8
151.11208	6.6
151.14859	0.7
161.09615	12.6
163.11179	0.9
171.08060	2.1
179.10678	7.8
184.07330	1.1
189.09090	5.8
193.12268	2.3
197.11697	2.0
205.89066	0.8
207.10239	1.8
211.13248	2.4
225.11215	8.9
239.23756	1.5
243.12323	2.1
245.73521	0.8
257.24704	1.6
264.68283	0.7
267.16000	1.3
281.13773	4.8
285.17017	4.7
299.14886	100.0
300.15201	1.7
313.27362	89.3
314.27637	1.9
396.19141	0.8
505.38800	1.9
523.39978	11.3
537.37866	57.0
538.37872	2.4
563.36218	1.0
564.35663	4.2
735.42255	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
56.05033	0.8
58.06600	0.3
59.07389	0.2
60.08166	6.6
67.05503	0.6
68.14436	0.2
69.07065	0.2
69.79952	0.1
70.06570	0.2
71.07371	3.0
81.03431	0.2
81.07049	0.4
82.55337	0.1
84.08189	0.2
86.09710	31.2
87.10085	0.2
91.05487	0.5
93.07051	0.2
95.04937	0.2
95.08613	0.2
98.21536	0.4
98.98474	2.9
99.35397	0.1
104.10738	1.9
105.07078	0.3
107.08609	0.2
107.26354	0.1
109.10192	0.2
121.10165	0.2
125.00010	21.2
131.08595	0.2
162.52931	0.2
184.07346	100.0
185.07674	0.6
229.79298	0.2
238.35510	0.2
496.41690	0.2
524.19489	0.2
730.46631	6.8
731.46967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.05503	1.0
56.80957	0.3
56.86752	0.4
57.03436	1.1
59.04999	0.6
61.02932	3.6
67.05515	2.3
69.03433	2.6
69.07056	0.6
70.90103	0.7
70.90443	0.4
71.05006	1.1
73.02920	2.6
75.78616	0.3
79.05506	1.8
83.04990	0.7
83.08625	1.2
84.55283	0.3
85.02914	4.8
85.06569	0.4
87.04487	0.5
89.82845	0.4
91.03985	1.9
91.05487	2.2
93.07046	2.0
95.04963	1.6
95.08627	1.0
97.02905	3.5
97.06564	0.4
97.23257	0.3
99.04459	0.5
101.02404	0.9
103.03985	0.6
105.07035	2.3
107.08624	0.8
109.02901	0.7
110.13374	0.4
111.08108	0.5
119.08590	1.5
121.10172	1.5
127.03919	0.8
129.07039	1.0
131.08607	0.9
133.10155	1.3
147.11719	1.4
149.09691	1.1
157.10190	1.1
175.11258	1.4
184.13571	0.4
193.12248	2.4
200.54164	0.4
211.13350	0.9
225.14833	0.4
243.08353	1.9
251.12576	1.0
259.08017	0.4
283.15164	3.4
285.17331	0.5
293.42065	0.3
339.17871	0.7
364.67523	0.3
469.20502	10.3
501.23090	9.9
567.31134	0.5
639.29834	0.5
729.36682	100.0
730.36877	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	729.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
57.03414	1.5
61.02894	1.5
67.05474	2.6
69.03393	2.9
69.07053	1.1
69.53417	4.7
73.02914	1.7
78.31992	0.7
79.05464	1.6
81.07012	2.2
81.14202	0.6
83.04932	0.7
83.08578	1.1
83.30581	0.6
85.02867	3.0
85.30153	0.6
91.03904	1.4
91.05436	2.0
93.07030	1.2
95.04932	0.9
95.08566	1.2
97.02846	2.6
98.21436	1.5
105.07008	1.5
107.08587	0.7
109.02786	0.9
109.10121	1.8
111.04322	0.8
111.08025	0.7
115.42551	0.7
117.06931	0.7
119.08505	1.3
121.10121	1.4
127.03883	1.4
129.06932	1.0
131.08537	1.1
133.10092	1.3
157.10045	0.9
176.10193	0.7
183.53946	0.7
193.12178	1.0
211.13170	0.9
227.12614	0.8
243.08255	1.5
249.10880	0.8
251.12546	1.2
283.14960	1.2
287.02292	0.7
301.08685	0.8
317.06061	0.7
334.16910	0.7
373.10388	0.9
385.17798	1.0
401.15417	2.0
411.13733	1.0
413.17465	1.1
448.16742	0.7
457.19229	0.7
459.15897	1.4
467.18268	1.5
469.20602	5.0
485.18097	2.0
501.16241	1.2
501.23370	3.5
516.19098	0.8
543.25916	1.1
544.18646	2.9
557.19232	1.2
627.26764	2.8
628.28644	3.6
639.29669	5.6
657.30048	3.3
683.30713	1.9
711.29938	1.8
729.30389	100.0
730.30835	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	727.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
53.57246	0.3
55.01881	0.5
55.05514	1.1
57.03440	1.5
59.05005	0.7
61.02934	4.1
67.05508	2.9
69.03429	2.6
69.07066	1.0
71.05000	1.6
73.02916	2.6
79.05489	2.7
81.03418	4.2
81.07053	3.6
83.04990	1.1
83.08630	1.4
85.02901	5.0
85.06552	0.5
89.92516	0.4
91.03961	2.3
91.05482	3.3
93.07050	2.8
95.04967	1.9
95.08613	2.2
97.02901	4.1
97.06544	1.2
97.10186	0.4
98.21529	0.9
99.04452	0.8
101.02400	1.5
105.07024	2.3
107.04961	1.0
107.08601	2.2
109.02918	0.6
109.06523	0.8
109.10165	0.6
111.04455	0.7
117.07046	0.8
119.08567	1.8
121.10155	2.0
123.08139	0.6
125.06052	0.5
127.03944	1.3
129.07034	0.7
131.08594	1.7
133.10159	1.6
135.11752	2.0
137.13156	0.4
140.49785	0.4
145.10109	2.1
146.86188	0.4
147.11725	1.4
149.09683	1.1
157.10165	1.1
163.11182	3.3
175.11272	1.3
193.12225	1.7
203.05426	0.5
209.11853	0.6
211.13286	0.5
223.13411	0.6
227.12823	1.8
243.08492	2.3
249.10977	3.2
267.16046	0.8
272.12561	0.4
281.13699	1.5
283.15268	2.3
305.13708	1.5
305.51428	0.4
339.17862	0.7
462.29865	0.6
467.18933	9.6
469.20248	2.2
483.21677	0.4
499.21454	2.0
501.23074	8.4
501.30307	0.6
565.29962	0.9
727.35144	100.0
728.35559	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	727.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
53.33020	0.3
55.01871	0.9
55.05510	0.8
56.28793	0.4
57.03441	2.0
57.17266	0.3
59.04999	0.7
61.02929	4.2
67.05505	2.4
68.23069	0.3
69.03431	2.4
69.07067	0.6
69.24029	3.5
71.01355	0.4
71.04998	1.3
73.02913	3.6
79.05502	2.3
81.03426	4.0
81.07050	2.4
83.01353	0.6
83.04981	1.2
83.08637	1.2
85.02905	4.3
91.03962	1.9
91.05487	2.7
93.07049	2.9
95.04983	1.2
95.08633	1.3
97.02898	3.9
97.06560	0.6
98.21690	0.4
99.04461	0.9
101.02363	2.1
103.03970	0.4
105.07047	1.4
107.04972	0.9
107.08617	1.6
109.02866	0.8
109.06516	0.6
111.04430	0.5
111.08109	0.5
115.03937	0.6
117.07069	0.7
119.08575	1.9
121.10155	1.5
123.08077	0.8
127.03947	1.1
129.07010	0.7
131.08603	1.5
133.10126	0.8
135.11725	1.0
145.10170	1.1
147.11716	1.1
149.09567	0.6
157.10135	0.7
163.11208	1.6
175.11330	0.6
181.12224	0.4
185.04301	0.6
193.12273	1.4
225.14890	0.5
243.08501	1.9
267.15961	0.7
283.15253	5.2
315.23608	0.4
336.43762	0.4
339.17752	0.7
358.15106	0.4
467.18912	8.8
467.25381	0.6
469.21191	0.4
501.23077	10.4
565.29266	0.4
664.60052	0.4
695.32782	0.4
727.35126	100.0
728.35583	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	727.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05511	0.5
57.03428	0.3
57.07074	0.2
57.94434	0.2
59.04993	0.2
63.02367	0.4
65.20053	0.2
67.05489	0.4
69.03431	2.4
69.06738	0.2
69.07067	0.9
69.89916	0.6
70.06593	0.2
71.04989	0.6
78.04713	0.2
79.05501	0.5
81.03422	3.2
81.03870	0.3
81.07066	0.6
83.04981	1.0
83.08607	0.5
85.02905	1.9
89.03912	3.7
91.05466	0.9
93.07054	0.9
95.04958	0.3
95.08609	1.2
97.02891	0.7
97.06513	0.4
97.10163	0.4
98.21484	0.3
99.04450	0.6
99.08095	0.7
103.05468	0.2
104.66236	0.2
105.07020	0.7
107.04947	0.2
107.08603	2.9
109.02873	1.3
109.06526	0.6
109.10162	0.8
111.08092	0.6
117.03382	14.6
119.04933	0.4
119.08567	0.5
121.06493	0.2
121.10140	2.1
123.08042	0.4
123.11680	0.4
125.05992	0.2
125.09628	6.5
127.03842	0.8
131.08568	0.4
133.10112	0.7
134.03638	1.0
135.04399	0.6
135.08064	1.1
135.11693	0.3
137.05983	0.8
137.09592	0.6
139.07523	0.4
139.11230	0.3
145.02844	41.9
145.10133	0.2
146.03210	0.3
147.04401	0.3
147.11659	0.6
149.04811	0.2
149.05994	4.9
149.09619	12.0
149.13292	1.4
151.03838	0.3
151.11186	2.6
152.04773	0.2
153.09145	2.1
154.09871	0.3
163.03876	0.5
163.14842	1.2
165.12756	0.8
167.07071	0.3
173.13292	0.9
177.05467	100.0
178.05862	0.9
186.05548	0.8
191.14308	4.6
195.06557	1.7
206.04552	0.3
209.15367	20.7
210.15688	0.2
218.56758	0.2
227.16426	3.3
240.17336	0.2
279.08551	0.2
307.29944	0.2
321.09680	4.0
339.10745	9.9
367.18997	0.3
371.20703	0.5
385.20016	0.5
401.11713	0.2
417.11469	0.2
419.12433	0.2
521.93878	0.2
727.23962	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.3
55.05516	20.6
57.03439	5.7
57.07066	3.2
59.05013	1.4
65.03940	1.6
67.05508	44.2
69.03421	4.1
69.07072	17.8
71.04995	2.7
71.08646	12.9
71.55130	2.0
73.02888	2.8
75.49233	1.4
79.05492	16.7
81.03419	5.7
81.07054	26.2
83.04978	4.5
83.08612	7.7
83.63840	1.4
85.02916	4.6
85.06556	2.5
87.04466	2.7
91.05475	13.0
93.07049	14.3
95.04981	8.1
95.08605	12.2
97.02898	4.2
97.06541	3.3
97.10185	8.0
99.08100	7.8
105.07032	8.5
107.04958	5.0
107.08602	10.4
108.05680	1.5
109.02831	1.6
109.06528	3.5
109.10159	32.2
111.08095	3.1
117.07008	2.6
119.08585	6.8
121.06506	7.0
121.10164	5.0
123.08020	2.9
123.11739	1.4
125.09634	10.6
129.06941	1.7
131.08580	4.2
133.10127	4.5
135.08083	3.0
135.11667	3.1
137.09610	1.9
143.08661	1.7
145.10147	3.2
147.11652	1.9
149.09590	2.3
151.11194	2.4
155.10699	1.5
163.11191	4.0
165.12714	2.4
167.10739	1.7
173.11778	8.1
173.13031	1.7
177.12738	4.0
189.11273	3.4
199.13295	3.6
209.11653	2.2
211.13298	1.6
223.13287	2.0
227.12796	4.7
229.14343	23.6
241.71487	1.9
242.42445	1.5
269.17252	1.8
273.18561	2.6
275.20041	6.6
283.15567	2.0
291.19510	12.7
293.21121	100.0
294.21722	2.6
301.16452	4.7
365.23230	4.8
367.24820	17.8
399.23703	7.0
412.97159	2.1
519.33325	1.8
521.34821	13.6
553.54742	1.7
691.43677	5.1
726.44629	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	725.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01880	0.3
55.05500	1.0
57.03438	1.6
57.07078	2.5
57.79222	0.2
61.02929	5.4
61.57495	0.2
67.05509	2.9
69.03431	2.6
69.07066	0.7
71.01354	0.3
71.04986	0.6
71.08636	2.1
71.32544	0.5
71.32908	0.3
73.02918	3.3
79.05499	1.9
81.03426	3.2
81.07061	3.4
83.04989	0.7
83.08620	1.9
85.02907	6.3
85.10210	1.1
87.04445	0.3
90.21320	0.3
91.03960	3.4
91.05474	2.3
93.07062	1.3
95.04963	1.2
95.08615	2.5
96.78306	0.2
97.02891	4.5
97.06509	0.4
97.10158	0.8
99.04462	1.0
101.02401	2.0
103.03946	0.3
105.07043	1.4
107.04997	0.3
107.08606	0.6
109.02882	1.1
109.06565	0.3
109.10157	1.4
110.31590	0.2
111.08049	0.6
115.03957	0.4
119.08561	1.1
121.10149	0.8
123.11701	0.5
127.03915	1.6
129.07027	0.6
131.08582	0.7
133.10156	0.9
145.04945	0.5
147.11690	0.8
149.09619	0.7
156.07262	0.3
157.10153	0.7
175.11246	0.9
185.04282	0.6
193.12242	1.5
203.05276	0.6
211.13399	0.7
243.08499	2.0
251.12631	0.9
307.15466	0.4
313.27472	1.1
440.79187	0.3
469.20471	9.5
497.30807	4.7
543.84595	0.3
725.44452	100.0
726.44989	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70134	0.5
55.05508	1.4
57.03435	1.8
57.07063	2.5
61.02913	3.6
67.05502	2.1
69.03423	2.3
69.07067	1.2
71.08625	1.9
71.56313	0.7
73.02902	2.6
79.05495	1.6
81.03403	3.9
81.07059	2.9
83.04961	0.8
83.08627	2.3
85.02901	4.8
85.10182	1.8
91.03960	1.8
91.05489	1.7
93.07037	1.5
95.04968	1.5
95.08607	2.9
97.02887	3.4
97.10203	0.6
101.02357	1.4
107.08643	0.9
109.02877	0.5
109.10168	0.8
111.08086	0.6
119.08572	1.2
121.10163	0.9
127.03920	1.9
128.80222	0.5
134.98232	1.1
147.11687	0.7
157.10196	0.6
160.11232	0.7
175.11250	1.0
193.12282	2.2
211.13388	1.8
221.11400	0.6
243.08511	2.1
251.12581	3.4
258.08905	1.1
270.69495	0.7
307.15073	0.9
313.27426	1.0
323.52722	0.6
334.14133	0.7
379.76678	0.5
469.20490	11.9
475.82858	0.6
497.30740	5.6
595.46893	1.2
596.47455	1.8
627.45520	0.6
656.25024	0.6
707.45831	1.5
725.44330	100.0
726.44415	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	725.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03946	0.5
55.01867	0.5
55.05515	1.3
57.03439	0.8
58.95854	0.1
61.02928	0.7
65.03921	0.2
67.05500	1.6
68.05838	0.1
68.99783	0.2
69.03434	0.3
69.07063	0.5
69.25190	1.1
70.06606	0.1
71.01365	0.1
71.04999	0.3
73.02915	0.3
77.03944	0.3
79.05495	1.6
80.05846	0.1
81.03424	1.6
81.07053	1.4
82.03737	0.1
83.04982	1.7
83.08613	0.7
85.02917	1.1
85.06535	0.1
86.09714	0.2
91.03952	0.2
91.05488	1.3
92.05838	0.1
93.07041	1.5
94.07396	0.2
95.04971	1.0
95.08593	0.6
96.05357	0.1
97.02918	0.9
97.06539	0.6
97.10172	0.4
98.20788	0.2
99.04467	0.2
102.04675	0.2
103.05468	22.8
105.04530	0.3
105.07039	0.8
106.07406	0.1
107.04942	0.8
107.08593	0.8
108.08937	0.3
109.02875	0.3
109.06503	0.3
109.10137	0.8
111.00804	0.2
111.04445	1.4
111.08080	0.2
117.07021	0.4
119.08602	0.7
120.08936	0.1
121.02863	0.6
121.06535	0.3
121.10138	0.6
122.06841	0.1
122.10456	0.1
123.08079	0.3
125.09626	0.4
127.03930	0.3
129.05473	0.4
129.07024	0.2
131.04930	100.0
132.05257	0.9
133.06444	0.2
133.10100	0.5
135.08011	0.2
135.11708	0.6
137.02361	0.2
137.09605	0.1
145.06483	0.2
145.10158	0.7
146.10468	0.2
147.00479	0.1
147.08067	0.2
147.11710	0.3
149.06065	0.2
149.09587	0.2
153.01816	0.9
153.12732	0.2
155.08511	0.2
157.06471	0.2
157.10107	0.1
161.05943	0.2
163.04048	0.1
163.11217	1.0
164.11536	0.3
165.01849	0.3
173.09628	0.2
175.11203	0.2
177.05522	0.2
179.94583	0.1
181.12300	0.2
182.12686	0.1
183.02966	0.3
184.07388	0.4
185.05992	0.2
191.10628	0.3
193.12274	0.5
199.13231	0.2
209.11700	1.1
210.12027	0.2
211.13271	0.3
213.05537	0.4
227.12759	0.6
228.13182	0.1
229.14363	0.5
230.14705	0.2
231.06525	0.2
241.05035	0.2
258.05319	0.3
259.09665	1.8
265.13977	0.1
267.15927	0.5
268.16431	0.1
277.10703	7.2
283.15421	1.9
284.15710	0.4
285.17053	0.2
287.05505	31.2
288.05899	0.5
299.14941	0.3
300.15283	0.1
301.16467	1.0
302.16855	0.3
437.25497	0.1
459.27325	0.4
460.27914	0.2
473.25430	0.2
474.25708	0.2
477.28281	0.4
478.28687	0.3
491.26382	0.5
492.26682	0.4
509.27417	1.5
510.27808	1.1
527.28601	0.2
528.29071	0.3
693.30499	0.2
725.32538	0.2
758.73242	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	724.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01863	2.0
55.05512	9.6
57.03197	1.0
57.03440	10.9
61.02918	0.8
61.34637	0.6
65.03914	1.5
67.05180	1.2
67.05511	15.8
69.03417	2.5
69.07083	4.0
70.90583	1.3
71.04983	2.6
79.05079	1.2
79.05499	16.1
81.03422	70.6
81.07059	15.0
83.04987	8.5
83.08161	1.3
83.08627	19.4
85.02906	8.5
85.06514	1.3
91.05484	20.0
93.06481	1.0
93.07045	12.3
95.04971	26.0
95.08630	7.0
97.02879	2.8
97.06541	2.3
97.10174	5.5
99.08106	0.8
105.07036	15.0
107.04964	6.2
107.08599	7.0
109.06510	4.4
109.10152	4.4
109.68177	0.7
111.04443	1.9
111.08077	7.4
115.05441	1.5
117.07021	1.9
119.04925	1.2
119.07812	1.1
119.08592	15.1
121.06508	3.3
121.10142	5.9
123.08070	2.5
123.11684	1.2
125.09650	4.2
129.07010	10.2
131.08580	11.4
133.06499	2.9
133.10135	7.4
135.08025	1.0
135.11707	1.6
137.06026	0.7
137.09616	1.7
141.81917	0.6
142.07759	1.3
143.08563	1.3
145.06522	3.7
145.10114	2.8
147.08086	3.8
147.11694	9.8
149.09607	6.0
157.10121	11.5
159.08144	1.0
159.11644	0.9
163.11198	2.7
165.12741	2.9
169.06473	1.1
171.08011	0.9
171.11711	0.8
175.11197	12.1
182.52464	0.8
187.11212	1.1
189.11215	0.9
193.12248	30.0
195.11751	1.1
201.32805	0.9
205.12282	1.1
211.11357	1.4
211.13295	14.4
213.12604	0.8
223.13441	0.9
227.12784	1.2
229.14310	1.5
231.13895	0.8
233.15271	1.1
243.13795	1.0
249.14908	1.6
255.13733	1.5
267.15930	100.0
268.16495	1.1
273.14862	4.9
283.15439	1.8
285.16986	12.9
339.23184	1.6
341.21179	2.2
341.25299	0.7
349.21573	2.8
367.22665	9.2
385.23773	9.3
393.47006	0.8
403.24716	2.7
406.22824	0.8
412.04620	0.9
415.24542	1.1
433.25958	14.8
441.26340	6.7
459.27435	72.9
460.27667	1.8
477.28503	46.0
501.28116	1.2
519.29419	1.0
585.30334	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.9
57.03430	2.2
59.29701	0.6
60.08184	0.7
61.02927	3.9
67.05511	4.2
69.03416	3.0
69.07071	2.5
69.48933	3.9
71.04984	0.6
73.02908	3.8
79.05479	2.9
81.03430	4.0
81.07056	4.1
83.04977	1.0
83.08630	1.1
85.02912	5.3
86.09707	4.7
87.10039	1.0
87.85926	0.7
91.03966	2.7
91.05488	2.4
93.07051	2.3
95.04984	1.7
95.08617	2.7
97.02905	3.1
97.10185	1.0
101.02405	1.5
104.97802	0.7
105.07042	1.8
107.04981	0.8
107.08618	1.4
109.02883	0.8
109.10122	1.5
119.08592	0.9
121.10164	1.4
125.00014	3.1
127.03916	1.1
129.07056	0.8
131.08582	0.8
133.10129	0.9
135.11703	2.2
147.11685	1.0
149.09711	0.6
163.11177	0.8
163.21663	0.6
169.07454	0.7
175.11206	1.6
184.07349	17.5
185.07716	2.9
193.12227	1.2
202.73552	0.7
211.13203	0.8
226.02682	0.6
237.22202	0.6
243.08467	2.0
251.12744	0.7
311.25665	1.1
469.20413	7.8
495.29358	4.0
654.48724	0.7
723.42902	100.0
724.43555	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	723.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.1
54.83088	2.4
55.01868	8.5
55.05267	3.0
55.05514	29.6
56.67896	2.2
57.03440	9.8
59.05002	2.8
61.02927	5.4
61.06712	2.0
65.03938	4.2
66.39588	2.1
67.05509	100.0
68.02058	2.0
69.03428	16.0
69.07059	17.7
69.84821	3.8
69.85239	9.1
71.05006	5.0
71.08289	2.2
71.08644	15.6
73.02935	3.0
73.16180	2.1
79.05499	61.8
81.03426	54.9
81.07059	62.5
83.04993	18.2
83.08611	21.9
85.02919	18.5
85.06545	5.4
86.09691	4.8
91.03954	4.4
91.05481	53.2
93.07044	60.8
95.04980	22.4
95.08617	43.3
97.02894	19.9
97.06525	13.7
97.10166	8.3
98.20770	4.4
99.04491	5.4
99.08094	9.3
103.03970	2.7
105.04495	3.3
105.07044	31.6
107.04958	9.3
107.08591	36.3
109.02900	12.1
109.06499	4.5
109.10165	44.0
111.04388	5.2
111.08081	8.0
113.09692	2.8
117.07022	9.0
119.08592	29.1
121.10163	30.3
123.04369	3.0
123.08125	3.1
123.11664	3.7
125.09645	8.8
125.82567	2.0
127.03934	9.6
129.07033	10.4
131.08568	14.9
133.06487	3.0
133.10114	21.1
135.08054	4.4
135.11699	27.4
137.09561	5.6
141.09111	2.6
143.08595	3.9
145.10139	14.7
147.08066	2.6
147.11671	11.8
149.09650	3.5
149.13287	7.0
150.13185	2.4
151.11185	8.1
153.12752	5.7
157.10135	9.9
159.11697	6.3
161.05951	3.1
161.09521	4.0
161.13287	8.9
163.11218	13.2
167.10696	2.6
173.11766	5.8
173.13213	4.2
175.11255	5.1
177.12778	3.2
179.14328	47.5
181.12274	3.6
184.07376	8.0
185.13179	3.0
191.10675	3.2
193.12259	17.3
193.15175	2.3
209.11696	7.0
211.13312	24.6
227.12834	6.8
229.14426	9.1
241.19667	2.3
249.14833	3.3
259.20587	3.4
261.22269	2.5
267.15958	23.8
277.21640	38.1
283.15359	3.3
285.16827	7.3
295.22849	3.1
335.25787	7.3
351.25403	32.6
354.73135	2.6
355.17850	3.1
386.18497	2.3
409.01190	2.5
413.17615	2.8
429.21155	29.1
435.21289	3.0
489.35757	42.3
543.36853	49.1
561.37830	16.2
687.40332	3.3
705.42139	37.6
723.39081	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	723.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01872	0.3
55.05499	0.8
57.03442	1.4
57.07072	2.9
59.06110	0.6
61.02929	3.6
67.05504	1.6
67.47643	0.3
69.03419	1.7
69.07079	1.4
71.01343	0.3
71.05017	0.3
71.08640	1.8
71.55063	0.5
73.02920	2.6
79.05491	1.4
81.03419	1.3
81.07065	1.8
83.04983	0.3
83.08621	1.1
85.02911	3.0
85.10176	1.4
86.09709	0.8
87.04462	0.4
91.03964	1.8
91.05473	0.9
93.07034	1.6
95.04950	0.4
95.08604	3.2
97.02889	3.3
97.06544	0.4
97.10160	0.7
99.04465	0.7
101.02354	1.3
103.03969	0.2
105.07041	0.5
107.04933	0.3
107.08589	1.6
109.02862	0.6
109.10141	1.2
115.03901	0.5
117.07017	0.5
119.08590	0.6
121.06506	0.3
121.10149	0.7
123.11726	0.3
125.00034	0.7
127.03934	1.0
131.08577	0.3
135.08080	0.3
135.11708	2.4
145.10106	1.7
163.11183	3.0
166.56808	0.2
170.13063	0.3
181.12213	0.4
184.07332	2.7
185.04242	0.7
203.05211	0.3
219.09984	0.6
227.12778	2.4
238.41533	0.2
243.08417	2.3
249.08380	0.4
249.10977	9.5
305.13510	1.9
313.27328	0.9
408.74716	0.3
467.18896	11.2
497.30905	6.2
543.37195	0.3
561.37933	0.7
611.46857	0.9
621.26715	0.3
723.42841	100.0
724.43341	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05494	1.4
57.03427	1.8
57.07080	2.3
61.02929	4.5
63.08985	0.4
67.05515	2.4
69.03435	2.7
69.07063	1.3
69.37238	2.8
69.37640	0.7
71.05029	0.5
71.08633	2.2
72.08146	1.9
73.02918	3.9
79.05486	2.0
81.03423	2.8
81.07056	2.4
83.04966	1.0
83.08622	1.3
85.02908	5.0
85.10181	0.9
89.06038	0.4
91.03939	2.7
91.05476	1.2
93.07049	2.2
95.04936	0.6
95.08597	2.9
97.02885	3.9
97.06516	0.5
99.04436	0.7
101.02380	1.6
105.07021	0.6
107.04943	0.7
107.08601	1.3
109.02894	1.1
109.10162	1.5
111.04445	0.6
119.08562	1.0
121.10140	1.0
127.03946	1.3
131.08566	0.5
133.10109	0.6
135.11703	1.2
145.10143	1.0
155.72588	0.5
163.11212	1.8
185.04228	0.6
209.11673	0.5
243.08481	1.7
276.83398	0.4
279.41534	0.5
313.27362	1.2
335.25995	0.5
362.30630	1.8
467.18954	9.9
497.30969	3.6
497.37741	0.6
611.47083	1.2
723.42877	100.0
724.43396	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	722.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01875	3.6
55.05511	8.6
57.03439	8.5
59.05000	1.2
61.02919	0.7
65.03930	0.8
67.05508	12.6
69.03421	1.3
69.07078	3.0
71.01346	0.8
71.04985	1.8
77.03912	0.5
79.05492	12.4
81.03418	32.7
81.07059	10.0
83.01366	2.7
83.04986	5.5
83.08619	9.9
85.02895	2.2
85.06534	1.1
91.05481	10.5
93.07043	12.0
93.30518	0.4
95.04976	10.5
95.08621	5.2
97.02903	2.5
97.06544	1.7
97.10175	5.6
99.04451	0.9
105.07027	9.3
107.04953	6.5
107.08594	7.4
109.02879	0.9
109.06515	3.0
109.10152	3.4
111.04446	2.2
111.08077	3.4
115.05406	0.6
117.07035	3.7
119.04942	0.5
119.07809	0.7
119.08586	7.9
121.02824	0.6
121.06503	3.2
121.10138	4.0
123.04424	1.3
123.08063	4.2
123.27165	0.5
125.02267	0.5
125.06012	0.5
125.09644	3.9
129.07024	5.1
130.07825	0.5
131.04926	1.0
131.08557	5.5
133.06491	1.8
133.10159	3.2
135.08073	1.6
135.11679	5.0
137.06029	0.7
137.09586	1.2
142.07794	1.2
143.08534	1.1
145.06487	1.4
145.10129	7.2
147.04388	0.8
147.08029	2.4
147.11662	3.0
149.09639	2.1
151.11118	0.5
153.12732	1.4
155.08565	1.5
157.06494	0.7
157.10115	4.5
161.05986	3.0
163.07486	0.5
163.11197	9.1
169.06435	0.5
169.10172	0.6
171.08076	1.2
171.11760	0.7
173.09631	2.4
175.11169	3.8
181.12262	1.2
183.08109	0.8
183.11621	0.6
185.09659	0.7
185.13315	0.7
187.07507	0.6
189.09174	0.7
189.11319	1.2
191.10640	1.8
193.12245	8.4
205.12201	1.5
209.11722	1.8
211.11253	0.8
211.13255	0.7
213.12744	0.7
225.12744	0.9
227.12723	2.3
231.13794	1.9
235.11221	0.5
243.13921	0.6
249.14906	0.8
265.14398	0.6
267.15930	21.2
268.16299	0.7
269.15363	1.1
271.13367	0.9
273.14841	1.5
283.15390	18.0
287.16656	0.6
289.14438	3.1
329.21265	0.6
337.21475	0.9
355.22757	1.8
365.20944	2.8
373.23349	0.5
383.22180	15.0
401.23230	6.1
419.24219	1.4
431.24432	1.3
439.24741	1.1
457.25842	24.1
458.26181	0.7
475.26929	100.0
476.27353	3.5
493.27948	9.3
517.27887	1.7
571.29144	0.7
601.30890	0.7
619.30408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.3
53.03947	13.2
55.01872	18.6
55.05512	39.7
57.03431	15.5
57.07067	1.7
59.04987	2.3
60.57196	1.6
61.02917	4.6
65.03941	5.6
67.05503	68.1
69.03429	26.4
69.07063	25.5
71.04996	10.7
71.05588	3.9
71.05966	4.4
73.02911	3.9
74.97797	1.7
79.05492	65.8
80.70708	1.6
81.03415	100.0
81.07053	78.5
83.04977	28.0
83.08622	25.9
85.02905	27.1
85.06540	6.0
91.03952	2.1
91.05482	66.9
93.07043	56.6
95.01317	2.0
95.04964	30.4
95.08607	39.2
97.02888	18.0
97.06532	19.2
97.10162	14.0
99.04456	6.9
103.05489	3.4
105.04588	2.3
105.07030	61.1
107.04961	18.5
107.08596	37.6
109.02885	14.7
109.06525	11.5
109.10162	25.5
111.04459	8.7
111.08086	10.4
114.92642	1.6
115.05441	4.9
117.07012	19.3
119.08577	45.7
121.06511	7.8
121.10133	26.2
123.04410	2.3
123.08044	9.8
123.11711	7.3
125.09625	13.7
127.03909	13.8
128.06221	4.2
129.05469	5.9
129.07004	23.6
131.08591	34.5
133.06482	6.6
133.10133	33.6
135.08063	7.7
135.11670	10.7
137.09612	6.5
141.06946	5.2
142.07753	3.5
143.08554	12.6
145.06477	5.3
145.10127	20.4
147.08051	6.0
147.11688	30.2
149.09637	19.8
149.13281	3.4
151.07423	2.1
151.11183	4.6
153.12692	3.9
155.08563	6.8
157.10129	17.5
159.08122	3.3
159.11676	16.2
161.09625	5.5
161.13217	7.6
163.11220	11.1
165.12756	4.9
167.08562	3.1
169.10136	8.4
171.08008	2.4
171.10349	2.8
171.11632	10.4
173.04483	14.7
173.09596	4.4
173.13289	8.7
175.11172	12.8
177.12721	4.1
179.10728	2.4
179.14485	2.1
181.12233	3.2
183.11665	6.8
185.09686	2.7
185.13272	4.3
187.11240	4.5
187.14838	2.2
189.11180	6.8
189.12769	4.0
191.10609	4.1
193.12247	32.4
195.11653	2.0
197.13242	4.0
199.14772	3.4
206.97220	2.1
209.13367	2.9
211.13266	36.6
215.14342	1.7
227.12675	13.6
229.14302	4.7
229.19514	3.1
239.17914	3.5
247.20547	4.0
249.14845	2.2
257.18961	12.8
267.15924	26.2
268.16574	2.3
269.17667	2.1
270.61917	1.8
275.20068	74.0
283.15515	2.7
285.16965	21.5
293.20950	8.5
317.21140	2.1
331.22617	3.0
349.23788	40.7
355.17502	3.2
367.24387	2.2
373.24188	2.8
383.22256	4.3
411.19989	5.6
419.23895	3.2
429.21216	11.9
461.29108	3.4
467.31354	4.6
479.30099	2.2
485.32352	2.9
513.35260	3.5
523.34259	3.8
531.36261	2.3
541.35315	50.8
559.36285	41.9
577.37384	5.0
623.34314	4.2
667.38373	2.4
685.38953	5.9
703.40436	29.5
721.41797	17.0
749.04779	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97459	0.5
53.03939	1.4
55.01859	1.1
55.05267	0.6
55.05508	7.5
56.85698	0.4
57.03432	7.7
57.07074	16.3
59.06105	0.5
60.60321	0.4
61.02899	1.1
67.05502	10.4
69.03421	1.9
69.06712	0.7
69.07061	5.7
71.04981	1.8
71.05345	0.5
71.08628	11.7
73.02884	0.4
79.05489	7.0
81.03412	28.4
81.07049	14.0
83.04975	6.5
83.08614	14.8
85.02899	9.6
85.06513	0.7
85.10179	7.0
89.06042	0.5
91.03942	1.0
91.05477	8.6
93.07037	5.8
94.07333	0.7
95.04961	11.6
95.08604	11.8
97.02856	2.3
97.06525	0.8
97.10159	3.8
99.11704	0.7
103.05453	0.5
105.07020	7.0
107.04929	2.2
107.08611	2.5
109.06516	1.8
109.10143	5.5
111.04437	1.4
111.08094	5.6
111.11708	1.0
113.05991	1.2
119.08566	7.1
121.06510	0.5
121.10131	3.9
123.08090	1.0
123.11674	2.3
125.09574	0.6
129.07011	3.5
131.08565	4.4
133.06494	0.7
133.10121	3.4
135.11632	0.7
137.09628	1.2
137.13191	0.5
142.07762	1.3
145.10126	1.1
147.08055	1.1
147.11673	6.1
149.09630	2.2
157.10117	5.9
157.11320	0.6
160.06261	0.4
163.11221	0.9
165.12804	1.1
166.29913	0.4
175.11174	7.2
193.10435	1.1
193.12225	21.9
206.83838	0.4
211.13281	31.1
231.81854	0.5
239.23732	0.5
257.24780	0.8
267.15936	8.6
283.15475	1.5
284.15781	1.4
285.16956	28.7
313.27341	40.3
314.27664	2.6
315.28073	0.8
321.69836	0.5
380.53467	0.5
437.49536	0.4
505.38757	7.7
522.38861	0.9
523.39905	100.0
524.40198	2.9
622.28180	0.5
623.28009	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.9
55.01845	1.7
55.05512	12.5
57.03438	15.0
57.07078	28.5
57.84381	0.5
58.31968	0.5
59.04988	1.1
61.02930	4.1
65.03922	1.0
67.05505	21.7
69.03438	3.4
69.07069	9.3
69.31544	0.6
69.31950	4.0
71.04995	3.0
71.08633	19.3
73.02917	0.7
79.05492	15.7
80.65695	0.5
81.03419	41.4
81.07056	25.7
83.04500	0.6
83.04979	9.8
83.08619	20.9
85.02905	18.7
85.06525	2.3
85.10184	10.6
89.06030	1.1
91.03914	1.8
91.05481	18.7
93.06509	0.5
93.07051	10.3
95.04390	0.9
95.04970	16.0
95.08604	19.1
97.02878	4.2
97.06512	2.5
97.10157	6.1
98.20741	1.1
99.04482	0.7
99.08066	0.9
99.11683	0.9
103.07569	0.8
105.07034	15.5
107.04957	4.8
107.08601	4.5
109.02835	0.7
109.06531	3.5
109.10168	8.6
111.04411	1.8
111.08079	6.7
113.05975	1.4
115.05424	1.0
119.08578	11.8
121.10139	5.9
122.08200	0.5
123.08014	1.6
123.11708	4.1
125.09619	0.9
127.03900	0.6
129.07005	6.7
131.08562	8.3
133.06499	1.4
133.10123	8.2
135.11661	0.7
137.09590	1.1
137.13237	0.7
142.07755	2.0
145.10124	1.0
147.08028	2.5
147.11681	9.3
149.09599	3.8
157.10121	9.0
163.11180	0.6
165.12770	2.4
175.11191	10.4
184.07384	0.6
193.12248	33.1
199.22813	0.5
211.13286	50.2
239.23683	2.4
249.14763	0.8
257.24725	1.7
267.15912	18.5
285.16965	71.3
286.17401	1.2
313.27362	77.7
314.27649	1.1
505.38840	15.9
523.39948	100.0
524.40234	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81009	0.6
53.03938	3.0
55.01869	2.2
55.05510	8.2
57.03445	5.1
57.14728	0.6
61.02916	1.1
65.03953	0.9
67.05505	15.2
69.03415	2.5
69.07059	4.2
69.74389	0.7
71.04998	1.6
71.53867	1.2
74.00816	0.6
77.03918	0.7
79.05494	23.6
81.03420	33.1
81.07054	16.5
83.04996	5.8
83.08624	9.6
85.02911	1.3
85.06555	1.2
85.84135	0.7
91.05480	22.4
93.07044	21.8
95.04966	15.5
95.08619	8.0
97.02883	2.3
97.06554	1.3
97.10167	2.1
99.04408	0.7
105.04528	0.9
105.07030	17.2
105.07706	1.5
107.04942	4.5
107.08595	9.1
109.02892	1.1
109.06528	3.7
109.10151	2.9
111.04423	1.2
111.08078	4.0
117.06998	2.7
119.08575	12.6
121.06513	2.7
121.10136	5.3
123.08054	1.9
123.11691	1.0
125.09607	1.0
128.06247	1.1
129.07002	9.6
131.08574	4.0
133.06494	1.9
133.10126	5.8
135.08057	1.2
135.11652	1.6
143.08575	3.2
145.10136	4.1
147.08063	2.2
147.11693	15.3
149.09625	1.9
157.10143	3.8
157.34171	0.6
158.86653	0.7
159.11787	0.9
161.09596	1.8
161.12013	0.7
161.13251	4.0
163.11203	1.2
165.12766	0.9
171.11668	8.6
175.11246	3.8
185.13258	0.7
189.12744	3.2
193.12239	7.7
207.13785	7.7
211.13342	1.0
249.14891	1.1
267.15915	27.3
268.16168	0.8
275.20096	0.9
281.17468	28.1
291.19614	1.1
391.19052	0.7
421.26355	1.0
471.00284	0.8
473.28992	100.0
474.29617	2.3
491.30060	2.1
515.29803	1.3
523.29004	0.9
558.35114	1.0
581.30627	1.0
720.41077	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01878	1.6
55.05310	1.3
55.05514	13.5
57.03436	12.5
57.07076	31.1
61.02913	4.3
65.65601	1.2
67.05505	22.9
69.03423	3.4
69.06772	1.2
69.07069	11.2
71.04974	3.0
71.08631	26.1
71.56824	2.6
71.81363	1.0
79.05489	14.6
80.41715	1.1
81.03419	40.8
81.07058	25.1
83.04980	9.1
83.08620	22.3
85.02901	17.2
85.06515	1.3
85.10175	13.6
86.09694	5.2
89.06039	1.2
91.05475	17.2
93.07043	8.7
95.04967	14.4
95.08603	26.5
97.02888	4.3
97.06512	2.5
97.10186	6.0
99.04408	1.2
99.08024	1.3
105.07033	12.3
105.62980	1.1
107.04947	3.5
107.08591	4.3
108.97668	1.1
109.09479	1.1
109.10148	9.9
110.77035	1.3
111.04487	1.6
111.08070	6.5
111.11671	1.4
113.05952	1.9
117.06985	1.5
119.08588	12.6
121.06510	1.8
121.10149	5.4
123.11709	4.7
124.99976	4.2
129.07011	7.1
131.08565	5.5
133.06488	1.6
133.10162	6.2
142.07816	1.7
147.08029	1.4
147.11693	9.7
149.09622	4.7
157.10168	8.7
165.12709	2.5
170.74049	1.2
175.11169	10.7
184.07353	20.2
193.12241	25.7
211.13283	32.9
211.15291	2.0
239.23691	4.6
257.24738	2.7
267.15921	13.9
285.16956	40.4
298.87091	1.3
313.27353	80.2
314.27518	1.7
401.28827	1.4
505.38934	14.5
523.39960	100.0
524.40265	1.9
590.37482	1.9
720.47229	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	719.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	17.9
55.01871	19.6
55.05516	42.9
56.96552	3.4
57.03440	16.5
57.07066	4.3
59.05008	4.2
61.02910	4.0
65.03944	4.6
67.05508	70.8
69.03435	32.2
69.07069	31.9
69.34571	18.6
71.01374	4.0
71.05001	13.4
77.08118	2.9
79.05494	62.4
79.05919	4.7
81.03425	100.0
81.06593	3.3
81.07064	63.2
83.04987	26.0
83.08624	30.8
85.02918	21.4
85.06536	4.7
91.05486	64.2
93.06486	4.3
93.07049	59.3
95.04969	27.2
95.08614	34.2
97.02899	29.4
97.06525	16.9
97.10168	22.0
98.97578	5.0
99.04450	10.4
103.05458	4.6
105.04546	2.2
105.07040	48.0
107.04954	16.0
107.08598	40.8
109.02890	20.5
109.06526	12.5
109.10162	31.9
111.04451	12.7
111.08097	7.5
115.05440	4.1
116.98660	2.5
117.07016	24.9
119.08583	34.9
121.06517	10.7
121.10154	22.9
123.04435	7.3
123.08067	13.7
123.11755	6.0
125.09623	18.1
127.03927	17.2
128.06244	4.8
129.05504	3.7
129.07013	16.9
131.08586	32.7
133.06477	4.4
133.10150	19.7
135.04498	3.4
135.08055	12.7
135.11707	17.3
137.06000	3.6
137.09639	6.1
141.06978	3.6
142.07813	3.6
143.08574	9.8
145.06493	6.5
145.10139	28.2
147.08067	9.8
147.11687	22.5
149.09679	15.7
149.13277	3.0
151.11201	3.4
152.97693	2.5
153.09178	3.8
153.12766	6.8
155.08574	6.6
157.10127	11.5
159.08012	3.6
159.11688	14.4
161.09636	6.2
161.13232	6.0
163.11192	21.2
165.05530	3.3
165.09094	3.5
165.12756	3.6
169.10158	8.5
171.08035	4.1
171.11682	5.6
173.04501	16.9
173.09700	4.8
173.11751	4.2
173.13268	5.7
174.76231	2.3
175.11212	10.9
181.10182	4.5
181.12241	7.7
183.11703	5.6
185.09721	3.3
185.13297	3.2
187.92157	3.0
189.11189	11.8
191.10728	4.7
193.12190	14.4
195.13857	4.6
197.09596	3.1
197.13345	4.3
209.11761	4.9
211.13246	20.1
211.14967	2.9
223.13287	7.7
227.12787	30.8
229.14352	10.6
230.14723	4.7
247.20636	4.0
249.14992	2.9
257.18912	7.4
267.15991	9.2
269.11874	14.3
269.17429	4.2
273.15607	3.2
273.18427	17.5
275.20074	44.9
276.20300	2.8
283.15442	16.3
285.10278	2.8
291.19543	46.6
293.21143	3.9
295.20645	3.7
301.14395	3.5
313.21490	5.4
331.22931	2.9
333.17505	2.6
347.22232	6.6
349.23828	19.9
351.18668	6.3
353.16034	3.1
355.17520	3.7
365.23398	3.0
366.18356	3.4
369.19501	10.2
410.26340	2.8
411.20395	3.4
423.27573	5.4
424.27740	10.7
427.19690	9.1
429.11652	3.2
483.31046	3.5
504.34073	3.3
539.33734	17.3
557.34808	43.6
575.35840	7.7
599.35809	4.4
665.36810	3.4
683.38135	5.4
701.39026	27.5
719.39990	75.9
720.40344	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01877	1.7
55.05514	22.7
57.03186	1.5
57.03442	13.2
57.07090	6.0
60.88519	1.0
61.02920	4.1
61.29773	1.0
65.03935	1.4
66.91663	1.0
67.05510	27.9
69.03437	2.5
69.07073	26.0
71.04995	3.9
71.08635	3.8
73.02898	1.7
79.05501	20.6
79.42441	0.9
81.03422	45.6
81.07063	37.2
83.04985	13.4
83.08624	33.7
85.02435	1.8
85.02911	21.5
85.06554	1.6
85.10202	1.1
91.03940	1.3
91.05483	19.9
91.06023	1.4
93.07050	19.9
95.04972	17.5
95.08613	20.8
97.02900	4.3
97.06537	5.4
97.10163	10.1
99.08107	1.4
105.07030	16.4
107.04966	5.0
107.08607	12.2
109.06509	2.2
109.10173	5.9
111.04446	1.9
111.08076	10.4
111.11713	2.2
113.06018	1.8
115.05502	1.1
116.28429	0.9
119.08602	13.4
121.06535	1.2
121.10165	14.9
123.08100	1.4
123.11717	3.9
125.09665	2.0
127.03990	1.3
129.07031	6.4
131.08580	7.9
133.06537	2.1
133.10138	7.7
135.11731	8.1
137.13309	1.6
142.07770	2.7
147.08063	1.9
147.11684	12.3
149.09569	5.2
149.13246	2.3
157.10143	12.0
163.11205	1.2
165.12822	2.6
166.91644	1.0
167.14366	1.1
175.11197	13.0
184.07361	1.1
193.12247	31.3
211.13293	54.5
237.22151	1.6
267.15958	15.8
283.15393	1.0
285.16977	69.5
286.17276	2.1
311.25830	71.7
399.99301	1.0
448.08176	1.1
503.37399	15.1
521.38409	100.0
522.38745	1.9
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
53.03917	0.8
55.01871	5.0
55.05513	10.6
55.05761	0.5
56.41206	0.3
57.03440	11.0
57.07076	24.8
59.05013	1.7
61.02925	4.2
65.79572	0.3
67.05504	11.5
69.03400	1.3
69.07072	7.0
69.07430	0.4
69.21042	3.3
70.31236	0.3
71.01317	1.5
71.04997	2.5
71.08634	16.5
73.02883	1.2
79.05492	10.9
81.03417	6.6
81.07056	17.6
83.00920	0.5
83.01337	5.8
83.04981	6.8
83.08617	12.4
85.02439	0.5
85.02901	5.9
85.06502	1.1
85.10182	9.8
86.09676	0.8
89.05994	1.3
91.03961	1.6
91.05479	6.5
93.07042	14.7
93.36794	0.3
95.04485	0.4
95.04966	4.3
95.08607	14.7
97.02405	0.4
97.02894	3.6
97.06548	3.1
97.10167	3.7
99.04476	1.6
99.11700	0.5
101.02272	0.3
103.07560	0.7
105.06420	0.4
105.07034	5.6
107.04973	4.3
107.07897	0.4
107.08592	7.8
109.02892	0.5
109.06507	3.7
109.09476	0.5
109.10158	5.8
111.04403	1.2
111.08057	1.1
111.11681	0.7
115.03832	0.3
117.07027	3.8
119.08581	5.0
121.06486	2.0
121.10152	4.5
123.08073	5.5
123.11685	1.8
124.99980	0.5
125.05960	1.2
125.09599	0.5
129.06982	0.6
130.07727	0.5
131.08536	1.5
131.10686	0.5
133.10088	1.4
134.09042	0.4
135.08015	1.5
135.11688	7.1
137.09608	1.0
137.13203	1.0
139.07523	0.7
139.11316	0.4
141.40649	0.4
145.06490	0.6
145.10117	9.4
147.08009	1.2
149.09627	0.5
153.12700	1.9
154.15184	0.4
155.08528	0.8
163.11186	15.8
173.09592	1.9
174.48262	0.4
181.12262	2.0
184.07339	2.9
185.07658	0.7
191.10654	1.6
206.28072	0.4
209.11746	3.8
210.72430	0.3
227.12798	2.6
239.23698	1.5
257.24777	1.4
283.15393	100.0
284.15747	0.9
313.27356	75.4
314.27722	1.2
326.60034	0.4
328.62106	0.4
434.95331	0.4
488.51300	0.4
521.38385	49.4
522.39099	0.6
548.36591	0.6
718.46094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01847	1.7
55.05515	7.8
57.03442	7.2
57.07080	24.5
58.28009	0.5
61.02909	1.1
65.03930	0.7
65.84171	0.4
67.05508	15.5
69.03407	1.0
69.07067	7.8
71.04967	1.8
71.08637	18.3
71.09006	0.8
73.02883	1.4
76.64116	0.5
79.05499	13.6
81.03379	2.1
81.07057	18.1
83.04971	2.7
83.08627	10.6
85.02863	1.0
85.06528	0.8
85.10188	12.4
89.06036	2.6
89.86826	0.5
91.05486	4.1
91.63132	0.5
93.07049	21.6
95.04967	3.3
95.08613	36.2
97.02892	3.8
97.06494	2.3
97.10177	4.1
98.21552	0.9
99.04460	2.6
99.04986	0.6
103.07554	1.7
105.07021	4.7
107.04964	6.0
107.08601	17.3
109.06487	1.2
109.10163	7.5
111.04431	0.6
111.11661	0.6
113.05959	0.8
115.07542	0.7
117.07024	5.8
117.08979	0.5
119.08579	7.1
121.06512	4.4
121.10146	8.2
123.08056	0.7
123.11669	2.0
125.05963	2.0
130.07805	0.9
133.02707	0.5
133.08549	0.7
133.10118	2.3
135.08038	1.5
135.11699	38.0
136.06160	0.7
136.12009	1.0
137.13196	1.0
139.07530	1.4
143.08614	0.7
145.10130	20.1
145.66425	0.5
153.12740	1.2
162.07724	1.3
163.11189	49.1
164.11447	0.5
173.09496	0.7
181.12251	8.6
195.55679	0.5
209.11694	0.8
227.12790	50.8
228.13141	1.2
229.23891	0.5
239.23717	1.2
257.24753	1.7
283.15408	89.7
284.15723	1.5
313.27374	96.0
314.27722	3.6
360.65079	0.6
521.38403	100.0
522.38861	5.0
566.06573	0.7
622.28204	0.8
718.43604	0.7
719.43597	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
53.34649	1.0
55.01856	5.0
55.05272	1.6
55.05515	18.6
56.96549	1.5
57.03439	11.6
57.07071	2.1
59.04993	3.6
61.02911	3.5
61.44430	1.1
65.03929	1.8
67.05508	100.0
69.03435	6.7
69.07069	16.0
71.05003	5.7
73.02903	2.5
73.94477	1.1
79.05493	23.0
81.03423	8.6
81.06599	2.3
81.07059	41.5
83.04977	6.4
83.08618	12.6
85.02904	5.4
85.06531	5.1
88.94023	1.2
91.03925	2.0
91.05481	25.4
93.07045	25.1
95.04961	5.2
95.08613	19.2
97.02907	5.8
97.06542	9.4
97.10180	7.7
99.04414	2.1
99.08094	2.4
105.07027	16.1
107.04947	4.3
107.08595	18.5
109.02869	2.8
109.06530	2.7
109.10160	72.2
111.08067	4.4
117.07035	8.5
119.08582	17.8
121.06498	1.9
121.10159	5.6
123.04462	1.2
123.08083	3.2
123.11687	1.6
125.09660	7.2
127.03894	2.5
129.05519	1.8
129.06969	4.0
131.08569	9.9
133.10149	11.5
135.08035	2.3
135.11710	9.1
137.09602	5.4
141.06880	1.5
143.08531	2.7
145.10136	8.8
147.08070	1.3
147.11685	5.9
149.09628	10.6
149.13226	4.7
151.11208	1.6
153.08936	1.3
155.08603	1.5
155.10675	5.9
157.10072	1.9
159.11711	6.3
161.09668	1.8
161.13287	1.6
163.11220	5.9
169.10101	1.4
171.11668	1.9
173.09471	1.5
173.11772	19.1
173.13214	2.7
175.14783	1.4
177.12762	1.5
179.14331	2.1
184.07336	1.8
185.13263	1.4
189.11206	3.1
197.13286	2.0
211.13307	1.7
227.12767	16.1
229.14346	67.9
247.20520	1.5
251.16367	1.2
255.15948	3.8
257.19073	6.6
269.11758	1.7
269.17459	9.4
275.20105	21.4
285.09912	1.2
293.21127	1.9
325.19745	1.4
349.17102	1.4
349.23694	22.4
367.24786	2.4
399.23846	4.3
407.27939	1.9
409.25879	16.9
423.27441	52.3
424.27792	1.8
477.28629	1.4
503.33691	40.4
504.34183	1.3
521.34900	7.4
559.35773	1.3
565.03534	1.2
567.31366	3.2
577.37256	2.1
718.36835	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34338	0.5
53.03941	1.7
55.01874	4.0
55.05511	15.1
56.02893	0.6
57.03196	0.9
57.03437	9.6
57.06844	0.5
57.07082	4.2
59.04980	1.7
60.08153	0.6
61.02925	4.0
62.03442	0.6
67.05509	16.5
69.03423	1.9
69.07071	15.4
69.69780	1.7
69.70206	1.9
71.01344	0.6
71.04977	2.2
71.08621	2.5
73.02892	0.9
76.58765	0.6
79.05497	14.5
81.03416	5.2
81.06599	1.3
81.07058	21.5
82.07368	0.8
83.01344	4.4
83.04982	5.0
83.08161	1.0
83.08624	15.2
85.02910	6.0
85.06533	1.6
85.10176	0.7
86.09705	1.4
87.04469	0.6
91.03940	1.7
91.05479	6.2
93.06490	1.1
93.07048	14.8
95.04976	3.4
95.08614	14.1
97.02879	2.6
97.06539	4.4
97.10184	6.9
98.20791	1.3
99.04424	2.0
99.08091	1.0
105.07025	5.5
107.04960	4.3
107.08603	11.0
108.08963	0.7
109.06509	3.5
109.10165	5.7
111.04456	1.6
111.08075	2.1
111.11700	1.7
117.07037	3.2
119.08581	4.2
121.06490	1.7
121.10146	12.4
123.08084	5.6
123.11703	1.7
125.00018	1.5
125.05964	1.3
125.09618	2.0
127.03939	0.7
131.08553	1.3
133.10109	1.7
135.08060	1.1
135.11703	10.9
137.09601	1.2
137.13275	0.9
143.08510	0.7
145.10110	7.1
147.08026	1.2
149.09573	0.9
149.13266	2.5
153.12764	2.3
155.08531	0.9
163.11189	15.3
167.23294	0.6
173.09631	1.3
181.12204	2.2
184.07335	6.9
191.10669	2.6
209.11760	4.0
209.94243	0.6
219.21037	0.7
227.12791	3.3
237.22154	1.3
272.16019	0.6
283.15402	100.0
284.15790	1.3
302.70984	0.6
311.25815	73.2
312.26031	1.0
335.25635	0.8
404.52271	0.6
519.36841	50.1
520.36566	0.9
544.36737	0.9
693.34595	0.7
716.42664	3.0
717.41504	2.2
733.55225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.05511	0.9
57.03425	1.3
61.02925	3.8
67.05508	1.9
68.98553	0.3
69.03436	2.5
69.07063	1.1
70.50651	0.7
70.50980	0.5
71.04978	0.6
73.02924	2.6
79.05489	2.8
81.03424	4.1
81.07066	2.6
83.04996	1.2
83.08638	1.7
85.02909	4.7
91.03960	2.4
91.05478	3.6
93.07045	2.2
95.04980	1.4
95.08619	0.8
97.02898	4.3
97.06538	0.5
99.04454	0.9
101.02388	1.6
102.22173	0.4
103.03970	0.7
105.07043	1.5
107.04955	0.4
107.08590	0.9
109.02872	0.7
109.06563	0.4
109.10159	0.5
111.08081	0.7
115.03920	0.5
119.08583	1.3
121.10144	2.3
123.08094	0.4
127.03934	1.3
129.07011	0.8
131.08554	0.9
133.10172	1.4
139.11197	0.6
143.49474	0.4
145.04944	0.5
147.11702	1.3
149.09616	1.8
157.10176	1.2
158.72542	0.5
175.11261	1.1
185.04335	0.4
193.12238	2.8
203.05263	0.4
211.13359	1.5
225.11069	0.5
243.08359	2.1
251.12595	1.5
267.16031	0.7
269.13699	1.7
285.17007	0.6
287.32547	0.3
302.09949	0.4
307.15131	0.7
325.16431	0.5
443.18927	5.6
447.22464	0.4
469.20465	12.1
487.21646	5.7
551.69952	0.4
671.32513	2.7
697.33923	1.8
715.35114	100.0
716.35425	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	715.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01878	0.6
55.05504	0.9
57.03426	2.1
59.18801	0.3
60.91725	0.3
61.02925	3.5
67.05507	1.9
69.03426	2.5
69.07064	1.4
69.27590	0.5
69.27998	2.4
71.01376	0.4
71.04996	1.2
73.02911	3.0
79.05492	2.5
81.03427	4.5
81.07059	3.0
83.04986	1.9
83.08609	1.3
85.02908	6.8
85.06535	0.4
87.04482	0.3
91.03957	2.5
91.05483	3.2
93.07042	3.1
95.04965	1.5
95.08608	1.3
97.02890	3.5
97.06541	1.1
98.20801	0.7
99.04433	0.9
101.02399	1.8
103.03941	0.4
105.07038	2.1
107.04964	0.5
107.08607	1.2
109.02882	0.9
109.06529	0.6
111.08096	1.1
112.57851	0.3
115.03917	0.4
115.05499	0.3
116.80183	0.3
119.04931	0.3
119.08607	2.1
121.10138	2.8
123.11709	0.4
127.03904	1.4
129.05511	0.4
129.07060	0.7
131.08542	1.8
133.09285	0.3
133.10100	1.8
137.06021	0.5
139.11186	1.1
145.04988	0.4
147.08156	0.4
147.11702	1.3
149.09601	1.6
157.10133	2.0
163.03954	0.6
165.12640	0.3
175.11224	1.3
177.05515	0.4
181.04924	0.4
185.04250	0.7
189.05537	1.2
193.12215	2.4
201.07532	0.3
202.53346	0.3
211.13306	1.0
225.11050	0.5
243.08418	2.8
251.12648	1.6
259.09784	0.4
267.15912	0.6
269.13571	1.6
281.13766	0.5
285.16965	0.7
307.15161	0.7
325.16159	0.5
330.82315	0.3
402.80283	0.3
433.12057	0.3
443.18900	5.7
469.20450	12.4
469.27203	0.6
470.20801	0.4
487.21603	4.7
541.23083	0.4
553.29181	0.5
671.32587	3.0
697.34064	1.4
715.35065	100.0
716.35461	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5512
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03925	1.2
54.77608	0.7
55.05516	5.9
56.05054	4.0
56.82526	0.7
57.07062	3.1
58.06600	1.0
60.04515	2.1
67.05193	1.2
67.05509	13.8
68.05023	0.8
69.07069	8.5
70.06580	1.8
71.08614	2.1
71.19099	1.4
76.85082	0.7
79.05499	10.6
80.05011	2.5
81.05768	1.3
81.07050	10.6
82.06585	7.1
83.08619	5.8
85.02900	2.0
85.10165	1.3
91.05487	7.8
93.07047	12.0
94.06570	16.4
95.04937	1.3
95.07359	7.6
95.07916	1.1
95.08018	1.2
95.08598	9.2
96.08127	6.2
97.02888	0.9
97.10171	3.3
105.07040	5.4
107.08601	5.1
108.08131	3.4
109.10168	4.0
110.09653	0.8
119.08589	6.1
121.08787	0.8
121.10146	6.1
122.09653	2.9
123.11720	1.0
133.10133	4.3
135.11687	3.0
147.11668	1.8
149.13251	1.6
160.75542	0.7
184.07320	0.8
233.22726	3.5
245.22632	4.1
250.25261	7.8
254.24902	1.1
262.25308	100.0
263.25806	1.2
264.27518	0.8
272.25891	4.9
280.26337	7.1
292.43127	0.7
313.77716	0.9
322.60825	0.7
328.98264	0.7
353.93347	0.8
442.54782	0.7
504.47751	5.6
516.47772	34.3
518.49261	5.0
534.48846	19.2
580.14636	0.9
604.27094	0.7
628.94818	1.0
696.54462	6.9
700.41443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01868	0.7
55.05511	0.9
57.03427	1.7
59.91351	0.3
61.02928	4.5
62.44571	0.3
67.05501	3.6
69.03426	3.5
69.07071	0.7
69.21616	0.6
69.22028	2.4
71.01342	0.3
71.04999	3.8
73.02921	3.5
79.05493	2.0
81.03408	3.2
81.07059	4.6
83.04984	0.8
83.08619	1.6
85.02904	6.3
85.03380	0.5
85.06527	0.6
91.03948	2.3
91.05476	3.7
93.07037	2.1
95.04993	1.4
95.08630	1.1
97.02888	4.3
97.06551	1.2
98.21607	0.3
99.04465	0.8
101.02363	1.5
103.03929	0.7
105.07037	1.9
107.04992	0.4
107.08625	1.4
107.23974	0.4
109.02909	0.7
109.06530	0.6
109.10164	0.6
111.04465	0.4
111.08138	0.5
115.03873	0.4
119.08620	1.1
121.10189	0.8
123.11726	0.9
127.03934	1.4
129.05421	0.3
129.07002	0.5
131.08594	1.2
133.10129	2.2
135.11668	0.6
145.10219	0.4
146.64037	0.3
147.11679	0.6
149.09650	0.4
149.13264	0.9
151.11160	1.5
157.10178	0.7
159.11725	0.8
163.14926	0.4
175.11180	0.4
177.12849	0.4
183.13892	0.6
185.04298	0.8
187.13383	0.5
189.05501	0.7
193.12311	1.1
203.05299	0.5
211.13281	0.5
217.10464	0.3
243.08377	2.2
251.12608	1.4
257.17548	0.6
267.15808	1.1
285.17261	0.4
323.18274	0.5
413.18213	0.4
448.56430	0.4
453.21109	1.2
469.20526	6.2
485.23584	8.2
551.28967	0.3
641.30408	2.9
667.32910	0.5
713.37256	100.0
714.37561	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	713.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29735	0.3
52.31584	0.3
53.03942	0.4
55.05516	0.8
57.03433	1.2
59.05013	0.4
61.02926	3.5
67.05505	3.7
69.03423	2.6
69.07079	0.7
69.47104	2.3
71.04999	1.3
73.02917	2.9
74.82075	0.3
79.05499	3.4
81.03417	3.1
81.07056	4.8
83.04990	0.5
83.08615	0.8
85.02905	3.6
87.04473	0.6
90.60878	0.3
91.03966	2.2
91.05487	2.8
93.07040	3.2
95.04989	1.2
95.08632	1.2
97.02887	3.2
97.06545	1.1
99.04459	0.4
101.02395	1.4
103.03967	0.6
105.07053	1.4
107.04991	0.5
107.08601	2.4
109.02885	0.8
111.08103	0.7
117.07101	0.5
119.08591	0.7
121.05522	0.3
121.10125	1.7
123.08060	0.4
127.03935	1.2
129.07031	0.5
131.08592	1.2
133.10167	1.2
135.08139	0.4
135.11737	0.4
147.11726	0.8
149.09660	1.2
149.13277	1.9
157.10162	1.0
159.11725	0.5
163.11214	0.4
175.11244	0.7
177.05458	0.5
189.05498	2.2
193.12343	1.3
195.13846	0.4
225.14864	0.4
235.13217	1.0
243.08441	2.4
267.15991	0.7
269.12344	0.4
269.17484	0.5
283.06329	0.4
283.15234	3.6
284.15625	0.4
291.15601	0.4
297.16855	0.3
339.18146	0.7
441.21396	0.5
453.20975	10.8
454.21411	0.4
469.20865	0.5
501.23029	9.1
551.32440	0.5
713.37219	100.0
714.37799	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	713.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
55.05508	1.0
57.03443	2.0
57.07077	0.7
61.02929	3.3
64.36100	0.3
67.05513	1.4
69.03432	2.0
69.07066	0.5
69.99279	1.5
71.04993	0.6
73.02921	3.0
79.05495	1.4
81.03406	2.3
81.07072	1.6
83.01086	0.7
83.04987	1.1
83.08627	0.9
85.02904	4.0
87.04451	0.6
91.03955	3.4
91.05489	1.3
93.07060	1.0
95.04971	0.5
95.08643	0.6
97.02890	3.2
97.06550	0.6
97.10198	0.7
99.04465	0.9
101.02400	1.1
103.03922	0.3
105.07058	1.1
107.08617	1.1
109.02940	0.6
109.10179	0.4
111.08098	0.4
113.06010	0.3
117.05501	0.7
117.07077	0.3
119.08608	1.0
121.10141	0.7
123.04227	0.7
125.09649	0.6
127.03901	1.5
129.05525	1.5
129.07021	0.4
131.08603	0.7
133.10225	0.7
145.04927	0.4
147.11722	0.8
157.04805	0.5
157.10136	0.6
163.11206	0.4
171.06635	0.3
175.11221	0.7
181.04753	1.3
184.03395	0.4
185.04202	4.7
193.12325	1.0
199.05850	1.0
199.13223	0.7
201.03726	2.1
201.14925	0.4
211.13329	0.7
221.11755	0.3
226.06717	0.4
227.05405	0.5
241.06940	0.7
243.08405	3.6
243.10754	0.4
251.12531	3.8
259.07907	0.6
267.12003	0.4
267.16251	0.3
277.14145	0.4
291.10852	0.4
291.15747	1.8
301.05557	0.6
301.08954	12.5
307.15210	0.6
313.08905	0.4
315.10541	3.1
327.10510	1.1
329.12222	0.8
341.12109	1.3
343.09894	0.7
343.13864	1.0
349.16238	3.6
355.13864	0.8
357.11230	0.4
357.15161	1.0
363.17856	0.9
367.17056	0.6
369.15253	0.7
371.16986	0.8
373.11075	4.5
383.16776	2.9
385.18332	8.2
387.12759	1.3
395.16837	2.5
401.14453	0.6
413.17987	0.4
415.15787	0.4
425.17783	0.4
429.17703	1.7
433.25790	2.2
439.19482	1.5
441.20966	0.9
443.18915	4.5
451.26425	0.4
457.20471	0.9
467.19028	1.2
469.20496	12.3
470.20670	0.4
479.26321	0.8
483.22046	0.7
485.19891	3.6
499.21173	3.2
511.21567	1.0
513.26917	0.4
527.28290	1.5
528.21808	4.3
541.22516	7.1
541.30145	0.5
555.23865	1.7
569.25085	1.9
583.30200	1.3
597.27179	0.4
611.30225	4.7
612.31128	2.8
641.31458	1.2
651.33691	0.9
653.32013	0.6
667.33173	1.8
668.33655	0.4
695.32324	1.4
696.33252	0.9
713.33417	100.0
714.33673	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	713.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02543	0.2
55.01878	0.6
55.05508	0.9
57.03440	1.6
57.07063	0.3
57.66869	0.3
61.02929	2.9
67.05509	0.9
69.03432	1.7
69.07057	0.6
70.78983	0.6
70.79319	0.4
71.01347	0.3
71.04987	0.4
73.02925	2.4
76.83144	0.3
79.05502	1.7
81.03422	1.8
81.07061	1.3
83.01122	0.4
83.04987	0.7
83.08619	0.8
84.80299	0.3
85.02903	4.0
91.03954	2.8
91.05495	1.3
93.07061	1.0
95.04998	0.5
95.08629	0.4
96.01905	0.4
97.02904	3.3
97.10184	0.5
99.04466	0.7
101.02397	1.0
102.75013	0.3
103.03972	0.4
105.07054	0.8
107.08615	0.7
109.02901	0.7
109.10152	0.7
111.08080	0.4
117.05491	0.5
119.08612	1.0
123.04209	0.7
123.08112	0.3
125.09644	0.8
127.03907	1.3
127.11201	0.4
129.05492	1.4
131.08586	0.3
133.10164	0.7
134.83607	0.2
135.11729	0.6
143.07182	0.3
145.04977	0.6
147.11795	0.6
149.09557	0.4
157.10178	0.4
163.11150	0.6
175.11263	0.5
181.04744	0.6
184.03438	0.3
185.04214	3.8
193.12302	1.1
195.06311	0.3
199.05798	0.9
199.13319	0.7
199.24414	0.3
201.03667	2.0
201.14925	0.3
203.05345	0.6
211.13258	0.4
221.11526	0.4
223.13210	0.3
238.65691	0.3
241.06863	0.4
243.08441	3.3
251.12505	3.7
256.98624	0.3
259.08087	0.5
267.15720	0.3
277.14227	0.7
291.10626	0.3
291.15717	1.2
301.08957	11.4
307.15179	0.6
313.09039	0.4
315.10553	3.5
327.10449	0.7
329.12262	0.7
341.12167	0.8
343.13675	0.7
349.16229	3.3
355.13864	0.6
357.15414	0.4
363.17841	0.7
367.17389	0.9
369.15277	0.3
371.16953	1.1
373.11060	3.6
383.16766	2.8
385.18317	6.5
387.12665	0.6
392.08670	0.3
395.16885	2.1
397.18518	0.5
401.14017	0.5
413.17941	0.6
415.11325	0.4
415.16089	0.4
429.17691	1.3
433.25729	2.4
439.19397	1.3
441.21100	0.8
443.18912	4.1
457.20593	1.2
467.19009	0.6
469.20490	10.4
479.26505	0.4
483.22311	0.8
485.19473	3.9
499.21350	2.6
511.21594	0.6
515.21381	0.3
527.28400	1.0
528.21722	3.6
541.22510	6.5
541.30121	0.5
555.24121	1.4
569.25098	2.0
583.30084	1.2
595.30450	0.4
611.30469	4.1
612.31042	2.5
625.31891	0.6
641.31647	1.3
651.33496	0.5
653.31378	0.9
667.32886	1.6
695.32678	2.5
696.33392	0.7
713.33392	100.0
714.33606	2.6
735.61426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
57.03431	0.6
61.02927	0.7
65.25893	0.3
67.05504	0.9
69.03410	0.9
70.09206	1.6
73.02929	0.5
79.05476	0.4
81.03430	1.3
81.07056	1.0
85.02917	1.4
91.03953	0.5
91.05503	1.0
93.07053	0.5
97.02891	1.1
101.66457	0.3
105.07026	0.5
109.10262	0.4
116.21851	0.4
119.08611	0.6
121.06514	0.4
121.10096	0.5
127.03992	0.5
168.54912	0.4
215.68596	0.3
243.08446	0.5
267.09027	2.1
285.10220	1.2
467.19159	1.3
469.20529	1.3
485.17194	2.1
493.74142	0.4
641.30933	0.5
677.29059	0.6
695.32367	1.8
713.31812	100.0
714.32257	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	711.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51017	0.3
50.96169	0.3
52.52001	0.3
53.03929	0.5
55.01878	0.6
55.05507	1.2
57.03439	1.6
59.04994	0.6
61.02924	4.6
61.69564	0.4
67.05501	2.5
69.03432	3.0
70.14063	1.3
71.01379	0.4
71.04988	1.2
73.02910	3.3
81.03412	8.8
81.07049	2.4
83.04996	1.0
83.08613	1.9
85.02902	5.1
87.04472	0.6
91.03953	3.0
91.05485	3.0
93.07041	1.5
94.45750	0.3
95.04964	2.6
95.08604	1.0
97.02885	4.5
99.04463	0.9
101.02374	1.6
103.03918	0.6
105.07012	1.9
107.05005	0.8
107.08611	0.9
109.02884	0.6
109.06514	0.3
109.10188	1.0
111.04482	0.6
111.08080	1.0
114.01791	0.4
119.08571	1.7
121.10146	1.6
125.09623	0.4
127.03921	1.6
129.05453	0.3
129.06996	0.8
131.08548	1.6
133.06531	0.6
133.10133	1.2
142.07816	0.5
144.48906	0.3
145.04971	0.7
145.10156	0.4
147.08156	0.4
147.11691	1.8
149.09653	1.5
157.10086	2.0
163.11247	0.4
175.11244	1.4
185.04224	0.5
193.12231	2.8
199.13193	0.3
200.73923	0.3
203.05212	0.5
216.21848	0.3
220.70473	0.3
225.14911	0.6
230.40161	0.3
235.13559	0.4
243.08331	1.9
267.15933	2.6
283.15125	5.0
339.17899	0.8
451.19434	9.6
469.20258	0.5
501.23029	7.9
525.26172	0.3
648.86719	0.4
650.45227	0.4
711.35590	100.0
712.35779	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	711.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68649	0.4
53.03923	0.5
55.01860	1.1
55.05497	1.7
56.96556	0.5
57.03436	2.8
57.07057	0.7
61.02930	4.6
67.05514	3.8
69.03415	1.8
69.07054	1.1
71.01349	0.4
71.04982	1.4
73.02924	3.7
80.05772	0.4
81.03408	2.7
81.07050	2.9
83.01086	1.2
83.04967	1.4
83.08620	1.7
85.02903	5.2
88.91534	0.4
91.03937	3.0
91.05485	2.6
93.07056	2.8
95.04965	1.0
95.08604	1.5
97.02899	4.3
97.06522	1.2
97.10184	0.4
99.04452	0.8
101.02362	2.0
103.03976	0.6
105.07017	1.0
107.08581	2.0
109.02848	1.2
109.06497	0.5
109.10161	2.0
117.07030	0.5
119.04919	0.8
119.08604	1.3
121.10157	2.0
123.04217	0.7
123.08071	0.6
125.09620	0.6
127.03904	1.7
129.05453	2.4
131.08594	0.6
133.10110	0.7
135.11711	1.7
143.08595	0.4
145.05054	0.7
145.10136	1.3
147.11769	0.5
156.03886	0.5
157.04785	0.7
159.77817	0.4
163.03857	0.5
163.11218	1.5
175.03886	0.7
181.04802	0.6
185.04196	4.8
190.40445	0.5
190.76410	0.5
199.13304	0.5
201.03741	2.3
203.05322	0.8
207.06453	1.2
209.11797	0.7
227.12814	0.7
229.14447	0.8
230.14635	0.5
241.06813	0.8
243.08434	4.8
249.11014	1.7
253.06984	0.4
259.07889	0.8
267.09055	0.6
269.17691	0.6
275.12622	1.1
283.15424	0.9
291.15634	0.5
301.08939	10.2
301.12228	0.8
313.09070	0.9
315.10547	3.1
317.08554	0.5
319.15137	0.6
327.10593	1.7
329.11978	0.6
341.12216	0.9
347.14642	1.4
355.13708	0.7
357.15280	0.9
365.15750	1.2
369.15317	1.5
371.16678	1.5
373.11023	6.2
383.16714	1.7
385.10797	0.6
385.18335	6.2
387.12582	0.9
393.15207	0.6
403.24530	0.6
410.41214	0.4
411.20035	0.6
413.17920	1.2
424.27753	0.6
429.17236	2.5
431.24063	0.6
439.19473	1.9
443.18924	0.7
449.25369	0.5
455.18958	2.4
457.20535	1.6
467.18851	11.8
469.20633	1.1
470.21399	0.9
485.19595	1.0
496.29675	0.6
497.19775	3.3
498.20599	2.2
511.21619	1.6
513.26990	0.8
525.24127	0.5
539.20593	4.3
553.22388	0.7
567.24316	1.1
581.29480	8.6
582.30072	1.3
609.28882	2.5
610.29224	0.7
637.31580	1.0
639.29895	7.0
651.30463	1.1
653.31342	1.2
665.31256	1.8
666.31793	0.7
667.32605	0.5
693.31042	2.1
694.31281	1.2
711.31812	100.0
712.32111	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.32
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01867	1.0
55.05505	1.8
56.96568	0.7
57.03439	2.7
58.80798	0.4
61.02924	4.2
65.03942	0.4
66.07016	0.4
67.05505	3.4
68.05850	0.5
69.03431	2.9
69.07077	1.1
70.06592	0.5
71.01363	0.5
71.04998	1.1
71.55463	0.4
73.02917	3.9
81.03419	4.9
81.07057	4.2
82.03764	0.7
83.04978	1.6
83.08632	2.4
85.02906	5.9
86.09669	0.6
91.03965	2.7
91.05491	4.1
92.05839	0.6
93.07043	2.0
93.35134	0.4
95.04969	2.8
95.08617	1.4
97.02882	4.1
97.03437	0.4
97.06526	1.0
97.10192	0.4
99.04461	1.1
101.02374	2.2
103.03931	0.7
105.07047	3.0
105.42586	0.5
107.04980	1.2
107.08607	1.6
109.02885	1.8
109.06536	0.8
109.10179	1.3
110.10549	0.4
111.04459	0.5
111.08082	0.7
115.03927	0.5
117.06940	0.5
118.31276	0.4
119.08599	2.5
121.06528	0.6
121.10146	0.7
123.08097	0.4
127.03917	1.7
129.05464	0.5
129.07065	0.7
131.08557	1.0
133.06509	0.8
133.10133	4.0
134.10477	0.5
135.04462	0.5
135.11685	0.8
137.05975	0.6
144.33904	0.4
145.10144	0.9
147.11653	1.3
149.09676	0.7
151.11197	1.0
157.10136	1.3
161.09663	1.3
163.03911	0.9
163.11182	0.8
175.11205	1.2
177.05412	0.4
183.06392	0.4
185.04224	0.6
189.05458	0.6
189.09137	0.7
193.12221	2.8
193.78819	0.5
194.12520	0.7
207.06525	0.6
211.13252	1.8
212.13660	0.7
225.11194	0.8
239.11383	0.5
243.08578	1.2
251.12646	0.8
255.09045	0.5
257.12448	0.6
259.08395	0.5
265.09201	1.0
267.09210	1.8
267.16013	1.3
268.16150	0.4
269.12399	2.7
283.05994	0.5
283.10382	1.5
285.10083	2.8
285.17053	1.2
286.17322	0.6
299.14838	0.7
301.11444	1.1
307.14960	0.5
329.14529	0.6
357.15564	0.6
357.66049	0.5
367.22369	0.4
374.16336	0.8
460.27850	0.7
467.19110	0.8
469.20587	5.4
478.28738	1.2
483.18011	9.4
495.29288	0.9
496.29810	1.4
549.26318	1.0
639.28760	0.4
711.31903	100.0
712.32269	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	711.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
57.03431	0.8
61.02913	1.6
67.05502	1.6
69.03442	1.1
71.04993	0.4
71.54960	0.4
73.02927	0.7
79.05498	0.9
81.03421	1.2
81.07060	1.7
83.05003	0.6
83.08631	0.8
85.02904	1.6
90.29951	0.5
91.03938	0.7
91.05499	1.5
93.07053	1.8
95.04962	0.9
95.08611	0.7
97.02890	1.7
97.06541	0.6
98.45952	0.4
101.02421	0.5
105.07023	1.0
107.04970	0.5
107.08591	1.2
109.10168	1.3
111.08132	0.4
115.22140	0.4
117.06959	0.5
119.08572	0.7
121.06515	0.5
127.03928	0.5
133.10155	0.6
135.11731	0.5
145.10161	0.5
151.11314	0.4
163.11166	1.1
189.05577	0.5
193.12204	0.6
209.11710	0.5
243.08562	0.5
253.14194	1.2
267.09085	0.9
267.15955	0.5
283.15408	0.8
285.10260	0.9
464.27652	0.6
467.18820	2.8
483.16000	0.5
485.17969	0.5
639.29761	1.5
693.30566	2.1
711.30206	100.0
712.30719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35038	0.5
53.03933	2.4
55.01853	2.0
55.05269	0.9
55.05507	8.8
57.03436	11.0
57.65231	0.5
61.02921	0.9
65.03916	1.2
67.05499	14.8
69.03436	3.4
69.07067	4.1
70.91048	1.2
71.04976	2.2
72.51096	0.6
79.05489	15.5
81.03413	76.9
81.06591	1.0
81.07050	17.1
82.03758	0.7
83.04980	9.7
83.08616	18.7
85.02895	10.0
85.06535	1.3
91.05476	22.2
93.06479	0.8
93.07038	11.6
95.04962	26.1
95.05568	1.4
95.08597	6.7
97.02891	4.1
97.06527	2.1
97.10161	4.5
100.53910	0.6
104.80888	0.6
105.07031	16.6
107.04958	8.1
107.08578	5.0
109.02847	0.6
109.06516	4.3
109.10161	3.5
111.04410	2.4
111.08072	7.8
113.05981	1.5
113.51151	0.6
115.05452	1.8
117.07010	2.5
119.04947	0.8
119.08578	15.7
119.29525	0.6
121.06499	3.4
121.10123	8.5
123.08061	2.2
123.11699	0.6
125.09647	3.5
128.06253	0.9
129.07013	9.9
131.04919	0.8
131.08568	10.6
133.06480	2.7
133.10115	7.9
135.08055	1.6
135.11729	0.8
137.06030	0.9
137.09578	1.3
138.97614	0.6
139.11174	0.6
141.06956	1.3
142.07745	1.7
143.08524	1.0
145.06480	3.9
145.10130	1.9
147.08073	3.6
147.11678	9.4
149.09613	5.4
151.04448	0.5
153.09125	0.6
155.08609	0.8
157.06474	1.2
157.10117	12.1
161.05983	0.7
163.11201	1.8
165.12758	2.3
169.10210	0.6
171.08029	1.1
171.11589	0.8
173.09540	0.9
173.13255	0.7
175.11172	11.5
183.11681	0.7
189.11218	0.8
193.12231	31.7
195.11577	1.0
197.13319	0.8
199.11183	1.1
205.12224	0.9
211.13260	15.9
215.14238	0.8
219.13811	1.0
227.12840	0.9
229.14261	1.0
233.15219	0.9
235.13182	0.8
237.12666	1.1
243.13705	0.7
245.65898	0.6
249.14899	1.9
255.13794	1.9
267.15903	100.0
268.16266	1.9
273.14786	3.8
285.16946	14.1
293.17526	0.8
301.14178	0.7
309.17105	0.7
339.23206	0.9
340.40210	0.7
341.21030	1.2
349.21475	1.5
367.22684	10.3
385.23621	9.8
403.24780	2.4
405.23956	0.8
433.25891	16.2
441.26260	5.8
452.40021	0.7
459.27386	71.4
460.27692	1.7
477.28455	46.2
478.28760	1.4
485.29959	0.7
495.29440	2.6
501.29166	1.0
519.29120	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01859	1.7
55.05318	0.5
55.05511	5.8
57.03440	10.2
57.07080	1.0
61.02920	0.7
62.05186	0.5
65.03954	0.6
67.05507	26.7
69.03423	1.4
69.07066	8.8
69.58391	3.6
70.08250	0.5
71.05009	2.9
79.05495	16.5
80.35203	0.5
81.03422	44.0
81.07056	35.6
83.04980	5.4
83.08160	0.9
83.08621	13.8
85.02891	2.0
85.06541	1.8
89.90491	0.7
91.05492	12.5
93.07047	27.4
95.04381	0.9
95.04976	13.8
95.08607	9.1
97.02887	1.0
97.06535	6.0
97.10150	1.6
98.20790	1.3
99.08114	1.4
105.07035	8.5
107.04958	3.8
107.08601	15.5
109.06520	2.3
109.10125	3.2
111.04417	1.1
111.08092	5.8
113.06040	0.6
115.05419	0.7
117.07030	4.4
119.08579	7.5
121.06526	2.4
121.10143	12.2
123.08081	0.7
123.11742	1.5
129.07002	4.5
131.08572	7.2
133.06508	2.0
133.10127	5.1
135.08063	1.2
135.11694	4.9
137.09615	1.0
139.11183	1.4
142.07782	1.4
147.08087	1.7
147.11678	4.6
149.09589	2.8
149.13255	15.6
157.10136	5.2
159.11713	6.0
163.11121	0.7
165.12764	1.5
175.11183	4.7
177.12845	3.0
193.12245	12.5
193.13899	1.0
193.35654	0.6
195.13802	3.2
211.13301	1.8
249.14745	1.1
267.15918	48.8
269.17487	48.6
270.17902	1.0
285.16940	0.8
410.55951	0.7
417.26416	1.0
435.27472	5.4
438.66791	0.6
443.27817	1.1
461.28998	100.0
462.29428	2.6
479.30182	3.4
503.30051	1.3
511.32309	0.9
708.33221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01865	2.3
55.05514	18.7
57.03437	12.5
57.07062	2.0
59.04993	1.1
61.02917	4.8
64.71303	1.0
65.03941	3.3
67.05504	64.4
69.03438	5.7
69.07074	11.5
71.04990	27.5
71.55041	1.9
73.02914	2.4
79.05492	32.5
81.03416	49.3
81.07054	100.0
82.07391	1.4
82.23901	1.0
83.04979	17.1
83.08620	26.0
85.02905	21.4
85.06549	10.2
87.04465	1.5
91.03941	2.4
91.05479	45.8
92.05823	1.3
93.07043	28.3
93.23773	1.1
95.04964	20.6
95.08606	15.0
97.02895	5.1
97.06535	8.5
97.10164	6.4
99.04479	1.6
99.08107	1.6
105.07035	24.3
107.04944	6.8
107.08573	17.1
109.06511	6.1
109.10164	10.3
111.04440	3.6
111.08076	8.7
113.05993	1.3
117.06989	5.6
119.08587	17.4
121.10143	10.6
123.08085	2.7
123.11703	14.8
125.09630	2.6
128.06287	1.4
129.06989	9.0
131.08571	15.6
133.06479	2.1
133.10130	28.7
135.11685	4.1
139.11128	1.4
142.07776	1.9
145.10069	4.3
147.08046	3.9
147.11694	11.0
149.09648	6.5
149.13245	5.8
151.11189	8.0
157.10121	14.4
159.11728	5.1
163.03729	1.1
163.11182	3.9
164.24788	1.2
165.12746	2.7
169.12169	1.4
175.11183	10.9
176.62640	1.3
177.12755	2.6
183.13812	3.7
187.13289	5.7
193.12234	31.3
195.13805	3.0
211.13309	29.0
213.62160	1.2
225.14821	3.2
229.14284	1.8
243.15880	3.4
244.75555	1.4
252.53883	1.4
253.17963	3.0
257.17426	3.2
267.15912	17.4
269.17435	12.7
283.15469	2.0
284.15704	1.8
285.16956	21.6
295.24969	1.6
301.16785	1.3
301.20013	21.5
349.23767	1.7
365.23477	1.3
417.26343	2.9
435.27423	32.6
453.28464	65.8
454.28937	2.1
461.28940	55.4
462.29398	2.3
467.30005	10.9
479.30054	63.7
480.30447	2.7
493.31723	3.6
511.32877	53.3
512.33337	2.2
529.28754	1.4
655.36871	1.9
709.27673	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31520	1.5
53.03933	6.4
53.28953	1.6
55.01871	19.2
55.05513	34.7
57.03203	1.9
57.03440	25.0
57.07063	2.5
59.05007	1.6
61.02909	6.9
65.03936	3.8
67.05506	51.7
69.03425	11.4
69.07068	11.4
69.24490	14.2
70.60564	1.4
71.04978	7.2
73.02898	8.1
79.05491	53.0
81.03419	100.0
81.06597	2.4
81.07062	47.7
82.04200	5.1
83.04980	29.9
83.08621	35.7
85.02441	2.2
85.02913	28.7
85.06517	3.1
86.31738	1.7
87.04481	2.0
87.52023	1.5
91.03931	2.8
91.04915	2.6
91.05487	48.7
93.07050	33.1
95.04382	2.8
95.04971	45.0
95.08609	17.1
97.02866	12.1
97.06531	11.9
97.10161	18.1
98.07294	7.1
99.04452	2.4
99.08086	3.2
105.07034	32.6
107.04973	15.4
107.08585	16.6
109.02870	2.3
109.06523	7.7
109.10169	13.1
111.04411	6.7
111.08083	22.0
113.06004	4.4
115.05434	2.3
116.04704	11.1
117.07007	5.7
119.08578	31.6
121.06493	3.5
121.10156	14.8
123.08087	9.7
123.11706	2.0
125.09637	18.8
126.98041	1.8
127.07503	2.4
128.06284	2.5
129.05486	34.4
129.06978	16.6
131.08589	18.6
133.06483	3.7
133.10121	18.8
135.08031	3.5
135.11707	4.0
137.09651	4.4
142.07777	4.1
143.07033	7.2
143.10651	2.9
145.10081	6.0
147.08020	6.4
147.11703	18.9
149.09630	9.4
153.09038	2.0
153.12723	5.2
155.10616	2.9
157.08586	13.8
157.10109	19.9
158.05759	1.9
163.11179	11.2
165.12793	5.9
171.06512	3.4
171.10170	7.2
173.09618	2.6
173.11674	3.7
175.11183	19.2
181.12244	3.4
189.11301	8.0
191.10635	3.7
193.12242	70.8
199.09607	2.1
199.13264	13.8
200.14087	2.9
209.11755	10.1
211.13293	87.3
227.12738	13.8
229.14389	4.0
241.73412	1.8
247.13371	2.2
255.15924	2.4
267.15936	27.5
283.15472	11.4
284.16174	1.9
285.16974	61.6
301.16461	59.6
302.50113	1.8
321.16949	2.6
322.68518	1.7
323.55109	1.8
339.17902	2.1
409.25427	4.8
427.26788	5.3
439.27026	13.1
459.27429	3.4
476.27435	3.0
477.28580	4.0
493.27914	14.2
494.28339	5.2
511.29022	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06039	0.9
54.18951	0.8
55.01875	6.1
55.05514	13.7
57.03439	7.4
57.07069	2.2
59.04998	3.8
61.02920	3.7
65.03951	0.8
67.05504	44.5
69.03425	3.0
69.07066	6.8
71.01362	1.9
71.04995	16.4
71.56152	1.2
79.05489	24.5
81.03420	15.7
81.07056	68.3
82.03762	1.0
82.07382	1.4
83.01343	5.2
83.04987	10.3
83.08623	11.6
85.02899	6.5
85.06544	6.0
87.04481	1.3
87.50758	0.8
91.05478	22.7
93.07043	25.3
93.07640	1.3
95.04976	6.4
95.08610	11.2
97.02877	4.3
97.06544	7.3
97.10177	2.3
99.04461	3.2
99.08094	1.8
105.07023	14.6
107.04961	9.3
107.08598	16.8
109.02901	1.3
109.06516	7.4
109.10142	8.6
111.04442	2.8
111.08081	2.6
115.90714	0.9
117.07017	7.0
119.08572	7.6
121.06499	3.0
121.10126	9.2
123.08088	6.2
123.11700	10.0
125.05975	1.1
125.09627	2.2
129.07030	1.7
131.08572	6.0
132.08878	1.1
133.10110	12.9
135.08081	1.6
135.11685	9.3
137.09602	1.2
139.07631	1.0
145.10121	10.1
147.08057	1.9
147.11711	1.9
149.09686	1.2
149.13248	4.5
151.11191	7.5
153.12735	2.2
157.10162	1.4
159.11690	4.4
163.11179	17.8
172.12097	0.9
173.09616	1.5
177.12755	1.7
181.12190	1.9
183.13742	1.6
184.07364	3.7
187.13368	2.9
191.10696	2.0
193.12335	1.3
195.13791	1.6
209.11760	5.2
223.13225	1.4
227.12827	2.2
229.14383	1.5
241.14571	1.1
265.14371	1.3
267.16086	1.4
267.37781	1.0
269.17551	7.4
283.15375	22.8
285.16693	0.9
301.20038	9.0
315.17972	1.1
337.11090	1.1
451.26901	77.5
452.26843	1.4
459.27213	5.0
465.28528	4.4
477.28436	29.0
477.51392	1.0
509.31155	100.0
510.31461	2.7
624.03217	1.2
657.95557	1.1
706.41803	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	706.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01865	4.7
55.05512	18.8
57.03438	13.6
59.05006	1.8
61.02915	3.7
67.05177	2.0
67.05506	21.2
69.03426	5.5
69.07062	6.1
69.41112	1.3
71.04981	3.8
71.54580	1.4
73.02914	3.9
79.05492	24.2
81.03419	85.3
81.07057	25.5
83.04999	6.3
83.08618	19.1
85.02914	5.1
85.06552	1.7
91.05482	22.2
93.07049	18.4
95.04971	27.0
95.08612	9.9
97.02894	6.2
97.06526	4.6
97.10173	14.3
99.04420	1.7
105.07028	19.4
107.04961	15.1
107.08597	13.5
108.14255	1.2
109.06503	9.3
109.10171	8.7
111.04465	2.7
111.08088	8.4
113.05998	1.3
117.07027	6.8
119.08587	17.4
121.06518	9.5
121.10162	8.3
123.04408	3.2
123.08070	5.4
123.11768	1.9
124.99988	1.4
125.09621	11.4
127.03937	1.8
128.06235	1.4
129.07014	12.3
131.04935	2.1
131.08582	14.3
133.06508	4.6
133.10155	7.1
135.08070	3.3
135.11690	3.8
137.09671	1.8
142.07782	2.1
143.08548	1.8
145.06462	6.0
145.10095	7.6
147.04430	1.5
147.08038	5.4
147.11711	9.8
149.09607	7.4
151.11200	1.7
152.06085	1.3
153.09076	2.8
153.12669	1.7
155.08499	1.6
157.06477	2.2
157.10129	11.0
159.08096	1.5
159.11699	3.0
159.99693	1.1
161.09625	1.6
163.11162	5.7
165.12782	3.0
167.10770	1.4
169.10133	1.4
171.08113	1.9
173.09630	1.8
173.13254	1.8
175.11176	8.7
181.10136	1.5
184.07382	2.4
185.06354	1.2
185.09610	1.6
185.13293	2.6
187.14783	1.6
189.11230	6.3
189.12769	1.5
193.12254	25.5
195.11784	1.4
197.13301	2.4
209.11526	1.6
211.13252	2.8
213.12872	1.9
215.14267	1.4
217.12245	2.2
219.13756	2.7
223.13094	1.6
227.12775	1.4
229.14456	1.6
233.15358	3.2
235.13243	2.9
241.14282	1.3
249.14767	1.5
255.13809	2.6
259.13333	2.6
267.09280	5.7
267.15918	96.3
273.14862	5.3
283.15536	4.2
285.10089	8.5
293.17664	1.8
309.16867	1.9
324.11472	4.5
324.61490	2.1
339.23193	2.1
349.21680	5.2
357.24255	1.5
367.22736	11.2
385.23703	18.9
388.14832	1.4
403.24585	6.8
441.26630	6.1
459.27414	100.0
460.27798	1.6
462.22031	9.8
462.71945	4.3
477.28470	63.0
478.28799	1.7
491.30130	6.9
501.28391	5.2
509.30716	4.6
527.28510	1.3
543.57959	1.7
544.37164	2.8
567.29279	4.8
585.29938	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61473	0.9
53.03944	3.5
53.09717	0.7
55.01868	3.3
55.05514	13.3
57.03194	1.3
57.03438	13.6
57.30967	0.8
59.05014	1.0
61.02912	1.4
65.03936	1.7
67.05505	23.0
69.03407	4.7
69.07074	5.7
69.61035	5.2
69.65103	0.7
71.04977	4.1
79.05493	22.4
81.03420	76.4
81.06595	1.5
81.07055	23.1
82.03722	0.8
82.82853	0.7
83.01359	1.3
83.04984	12.8
83.08620	23.0
85.02904	11.8
85.06546	1.2
91.05481	28.9
93.07045	17.3
95.04967	25.5
95.08616	8.1
97.02891	6.0
97.06524	3.7
97.10173	6.9
99.08110	0.9
105.07040	16.3
107.04956	9.0
107.08595	10.2
109.06528	6.4
109.10152	5.8
111.04444	3.0
111.08081	9.9
115.05487	1.9
117.07019	4.9
119.04971	0.8
119.08578	16.4
121.06528	5.0
121.10160	8.4
123.04398	1.2
123.08097	3.5
123.11734	1.4
125.09647	3.1
128.06172	1.0
129.07005	9.9
131.08577	10.5
133.06505	4.6
133.10139	9.5
135.08055	1.7
135.11736	4.0
137.05928	0.9
137.09631	1.4
142.07780	3.1
143.08650	1.6
145.06505	3.2
145.10115	4.5
147.08047	2.8
147.11694	10.4
149.09622	6.2
151.11108	1.4
153.09187	1.1
153.12790	1.0
155.08612	0.9
157.10144	12.2
159.08022	1.0
161.09558	1.2
163.11183	8.9
165.12756	2.9
171.08072	1.0
171.11597	1.2
173.09619	2.1
175.11179	12.2
181.12146	1.2
189.11183	1.2
189.12689	1.1
191.10709	1.3
193.12248	28.5
195.11745	1.0
204.70578	0.8
209.11694	3.6
211.13293	18.7
227.12770	3.8
229.14363	1.7
237.12787	1.4
243.13791	1.0
249.14793	2.4
255.13773	2.7
267.15921	100.0
273.14752	3.3
283.15369	12.8
285.16995	18.2
299.14783	2.0
301.16446	3.3
339.23004	1.1
349.21545	2.8
367.22720	7.5
385.23712	10.4
403.24762	2.5
405.24319	1.3
433.25824	13.9
441.26242	6.9
459.27417	68.4
460.27753	1.7
473.25546	1.1
477.28485	47.0
491.26303	9.0
509.27127	12.2
527.28436	1.5
585.30359	0.9
685.45380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63490	1.0
53.03945	3.6
55.01629	1.3
55.01875	15.6
55.05267	1.9
55.05514	24.0
57.03437	21.4
57.07059	1.9
59.04991	3.9
61.02931	7.2
67.05504	37.0
69.03431	5.9
69.07069	8.8
69.42889	8.0
71.01357	3.1
71.05002	5.3
73.02922	5.9
77.03960	1.5
79.05491	35.3
80.06306	1.1
81.03416	27.5
81.07053	27.4
82.04205	3.5
83.01337	8.1
83.04982	20.8
83.08615	18.6
84.02130	1.5
85.02911	10.2
85.06524	2.2
87.04475	1.3
91.03988	1.8
91.04907	1.4
91.05481	24.1
93.07044	33.7
95.04968	18.5
95.08613	13.1
97.02892	8.3
97.06528	9.7
97.10170	11.3
98.07301	4.8
99.04458	3.1
105.04527	1.4
105.07039	12.9
107.04956	14.3
107.08596	19.1
109.02902	1.5
109.06529	7.5
109.10153	11.5
111.04440	6.2
111.08076	5.0
113.75539	1.0
115.54468	1.1
116.04715	10.7
117.07003	9.4
119.08585	15.7
121.06490	5.2
121.10152	10.2
123.08074	11.8
125.05974	2.5
125.09622	13.6
127.11179	1.3
129.05493	21.9
129.07013	3.4
130.07788	1.7
131.08571	7.6
133.10101	6.8
135.08058	5.0
135.11679	17.1
137.09636	3.6
142.07759	1.1
143.07069	5.5
143.08591	1.4
143.10710	1.8
145.06454	2.0
145.10129	21.2
147.07961	2.2
147.11670	2.6
149.09616	3.2
153.09161	1.1
153.12744	7.0
155.08549	1.6
157.08615	9.9
157.09911	1.9
161.09654	1.2
163.11177	35.4
171.06465	1.2
171.10168	4.4
173.09718	7.0
173.11656	2.2
175.11191	2.4
181.12230	6.1
184.07401	2.0
185.11812	1.6
189.11203	5.6
191.10600	5.8
193.12262	2.1
199.13306	5.6
200.14085	1.2
201.14816	1.1
209.11711	14.6
210.12582	1.6
211.13327	2.5
213.15102	1.1
227.12808	17.8
227.14987	1.9
228.13330	1.3
229.14386	4.3
246.00990	1.1
255.15869	2.3
265.14438	2.9
267.15915	7.9
283.15390	100.0
284.15903	2.6
301.16443	71.5
302.16910	1.7
337.16431	3.4
365.19806	1.7
383.22214	1.8
407.24350	2.6
425.25647	1.7
430.33954	1.2
437.25409	9.9
457.25998	2.2
467.77124	1.2
473.29291	1.7
474.26175	1.3
475.27130	9.7
491.26300	7.7
492.27182	5.8
509.27444	87.7
510.27652	2.0
527.28528	3.4
536.65094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63263	0.6
53.03949	3.7
55.01874	5.5
55.05510	13.5
57.03164	0.8
57.03439	12.7
57.07063	0.9
59.04993	1.0
61.02915	3.1
65.03929	1.1
67.05507	30.7
68.63708	0.6
69.03431	5.5
69.07074	10.1
69.49779	5.1
71.01349	1.1
71.04987	4.8
73.02904	1.9
76.57130	0.7
78.81731	0.6
79.05495	24.4
81.03421	47.4
81.07057	29.7
83.01354	1.1
83.04983	14.7
83.08151	1.2
83.08618	16.5
85.02905	19.1
85.06564	3.4
91.03942	2.0
91.05485	38.3
92.48108	0.8
93.07047	20.9
93.07640	1.1
95.04961	19.0
95.08608	8.4
97.02892	5.3
97.06535	6.8
97.10173	3.6
99.04449	2.0
99.08082	1.8
104.74944	0.7
105.04475	1.1
105.07040	26.7
107.04957	7.7
107.08599	19.9
109.02866	1.9
109.06536	5.3
109.10161	23.2
110.68591	0.6
111.04442	3.3
111.08086	7.4
113.05997	3.7
115.05479	1.7
117.07027	3.3
119.04936	1.2
119.08593	13.7
121.06502	1.6
121.10143	8.6
123.04459	0.8
123.08079	4.0
123.11688	4.0
125.09637	2.2
127.03930	1.1
127.07547	1.8
127.14213	0.6
128.06241	0.7
129.07011	8.3
131.08568	8.5
133.06479	1.6
133.10135	43.2
135.08069	0.8
135.11658	4.8
137.09595	2.1
137.94278	0.7
139.03903	0.8
142.07774	1.1
143.08560	2.1
145.10109	5.0
147.07982	3.4
147.11699	9.1
149.09592	4.7
151.11182	19.8
153.12730	1.0
157.10129	9.3
161.09625	8.7
163.11154	6.3
165.12772	1.7
169.12251	2.3
173.09554	0.9
175.11174	9.4
176.25969	0.7
179.10692	2.8
184.07274	0.7
191.10783	1.0
193.12253	27.3
207.10127	4.9
209.11719	4.9
211.13298	40.4
215.12825	1.9
225.11183	0.7
227.12747	3.3
243.12285	0.9
253.14352	3.5
267.15945	15.5
281.13840	2.1
283.15421	12.7
285.16965	39.4
286.17450	0.9
299.14890	52.5
300.15277	0.9
301.16446	5.7
399.10651	1.1
405.48758	0.7
459.27417	0.7
473.25568	2.3
477.28531	1.0
491.26404	19.2
509.27475	100.0
510.27798	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	706.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	2.1
53.03946	3.0
55.01875	3.4
55.05516	13.7
57.03442	11.8
59.04987	2.4
61.02944	3.2
61.03205	0.9
63.50578	0.6
65.03945	1.4
67.05512	18.7
69.03439	4.2
69.07072	4.0
70.79631	1.6
71.01351	0.8
71.04995	4.3
73.02922	1.4
79.05499	16.4
80.05863	0.8
80.78908	0.6
81.03423	40.4
81.07063	22.7
83.04991	10.7
83.08626	21.0
85.02914	16.9
85.03349	0.4
85.03432	0.7
85.06537	1.9
88.95424	0.6
91.03960	1.1
91.05486	30.3
93.07053	19.7
95.04972	19.2
95.08606	7.9
95.69811	0.6
97.02892	7.2
97.06525	5.4
97.10181	3.3
99.00813	10.6
99.04464	1.3
99.08105	0.7
101.02368	1.0
103.05463	0.7
105.07035	19.3
105.89257	0.7
107.04967	9.3
107.08600	8.7
109.02895	7.4
109.06535	4.2
109.10150	5.2
111.04459	3.0
111.08090	8.5
113.06029	1.6
115.03933	1.9
117.07031	3.0
119.04993	1.2
119.08591	16.1
121.06508	5.9
121.10162	5.2
123.04430	1.8
123.08094	2.7
123.11708	2.8
125.09633	1.0
127.03950	1.3
129.07030	5.5
131.08566	6.8
133.06522	2.8
133.10144	28.7
135.08084	1.5
135.11694	2.6
137.06009	1.0
137.09598	2.4
139.07550	2.5
142.07764	0.9
143.08578	2.8
145.06459	1.1
145.10129	2.5
147.04410	0.8
147.08076	2.6
147.11711	7.6
149.09630	4.2
151.11179	8.6
155.08725	0.7
157.10156	7.4
161.09627	12.4
163.11270	3.3
165.12749	1.4
171.08057	3.0
175.11192	10.8
179.10706	9.1
189.05574	0.8
189.09106	6.6
191.10684	1.3
193.12253	26.4
197.11687	1.6
207.10197	2.6
209.11749	1.2
211.13303	37.6
219.13878	0.7
225.11249	6.7
227.12881	1.7
229.14430	1.0
243.12273	2.1
265.14337	1.9
267.15961	14.1
281.13879	3.7
283.15445	5.6
285.16986	36.1
299.14908	56.2
301.16327	1.6
399.11472	0.7
445.25916	0.8
463.26794	0.7
473.25281	2.7
491.26431	17.2
509.27487	100.0
510.27725	2.8
515.73322	0.8
736.17950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97739	2.0
53.03930	3.1
55.01862	4.0
55.05510	13.4
57.03420	6.7
61.02924	11.0
67.05507	27.7
69.03412	8.0
69.07058	8.4
71.04965	2.6
71.56665	2.4
72.94804	1.7
73.02905	4.3
79.05493	20.6
81.03411	19.9
81.07055	25.2
83.04968	7.3
83.08619	11.2
85.02895	10.5
87.48119	1.8
89.69898	1.6
91.03928	4.8
91.05480	20.8
93.07040	21.8
95.04989	9.6
95.08611	14.7
97.02896	11.2
97.06519	3.5
97.10143	8.6
97.63097	1.6
99.04436	3.4
105.07030	20.5
107.04935	5.9
107.08588	14.5
109.02885	3.9
109.10148	12.0
111.04438	2.0
111.08083	3.6
117.07018	9.7
119.08581	12.2
119.15167	1.6
121.06487	3.0
121.10115	7.6
123.08057	2.7
123.11721	3.3
125.09608	7.3
127.03873	3.3
129.07010	13.2
131.08571	16.7
133.10124	9.7
135.08069	3.8
135.11594	4.1
137.09575	2.7
141.06985	2.8
142.07707	2.5
143.08569	9.6
145.10120	12.9
147.08015	3.1
147.11661	6.5
149.09633	2.6
149.13258	2.8
153.09128	2.1
155.08507	5.5
157.10114	10.1
158.39891	2.2
159.08022	3.9
159.11665	6.6
161.13245	4.8
163.11153	2.2
167.08531	2.7
169.10074	8.6
171.11711	9.3
173.09660	3.6
173.13275	4.9
175.11096	4.0
175.14761	1.8
181.10112	3.7
183.11699	5.2
185.13219	6.1
189.05412	7.0
189.11203	2.5
193.12209	7.4
195.11607	3.1
197.13174	3.8
199.14851	2.4
209.13475	2.2
211.13283	7.0
211.15007	2.3
221.13208	2.5
227.12691	4.6
229.14256	2.7
253.14673	1.8
259.20547	4.3
267.15973	3.4
283.20428	1.9
285.16653	2.4
297.22037	2.8
299.23672	4.9
333.24426	3.4
340.20941	1.9
421.25732	2.4
433.31042	6.0
451.31891	4.2
469.33224	4.5
525.35693	23.7
529.07727	2.0
541.35779	3.1
543.36798	100.0
546.24347	1.9
567.36768	2.3
585.37427	3.5
633.38055	2.6
651.39093	2.7
669.39325	3.5
687.40686	8.7
705.30707	16.4
705.43427	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	706.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42596	0.9
53.03941	1.9
55.01878	5.1
55.05510	13.0
57.03435	14.2
57.07059	0.8
58.36874	0.7
59.04983	1.1
59.84008	0.7
61.02931	4.7
65.03952	1.3
67.05505	26.1
69.03437	4.8
69.07061	6.5
71.01344	2.9
71.04995	5.3
71.55984	0.9
73.02924	1.4
74.90249	0.7
79.05492	21.0
81.03418	41.5
81.06586	1.7
81.07055	26.2
83.04974	11.5
83.08613	16.6
85.02903	15.5
85.06538	2.6
87.04488	1.0
89.90236	0.7
91.03942	1.9
91.05477	28.6
93.07037	19.2
95.04967	18.3
95.08607	8.9
97.02884	5.9
97.06527	4.7
97.10152	4.4
99.04436	1.5
99.08094	1.5
103.40986	0.7
105.07032	23.1
107.04955	5.4
107.08598	18.0
109.02859	1.0
109.06522	6.8
109.10151	21.2
111.04447	2.7
111.08067	7.5
113.05995	2.0
115.05479	1.3
117.07027	2.6
119.04939	1.2
119.08571	12.8
121.06491	2.7
121.10132	7.9
123.08054	2.9
123.11701	4.5
125.09621	3.6
127.03916	1.5
128.06247	0.8
129.06998	7.3
131.08540	8.9
133.06458	2.2
133.10123	32.6
135.11742	1.4
137.05962	1.4
137.09596	1.6
142.07799	1.9
143.08560	1.7
145.02757	0.8
145.10146	3.0
147.04430	1.0
147.08044	2.7
147.11667	9.0
149.09595	4.5
151.11194	14.1
153.12779	1.5
157.10118	8.3
161.05988	0.8
161.09637	2.4
163.03908	1.7
163.11159	2.2
165.12776	2.7
169.12248	2.9
175.11205	8.7
176.32532	0.7
179.10686	2.6
181.12355	0.7
182.57201	0.8
189.11212	1.1
191.10600	0.7
193.12244	30.2
207.03426	0.8
207.10117	1.0
209.11734	2.0
211.13284	42.8
215.12762	2.2
225.11214	1.5
227.12804	2.1
243.12296	1.9
253.14305	1.8
264.22678	0.7
267.15912	15.1
267.18600	1.3
281.13736	1.3
283.15479	6.5
285.16965	36.1
299.14883	50.4
300.15085	0.9
301.16571	1.5
368.58841	0.8
399.10934	4.3
399.21594	0.9
459.27386	3.3
463.26794	0.8
473.25119	2.7
477.28406	3.1
491.26331	18.5
509.27451	100.0
510.27567	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	699.356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01875	0.6
55.05507	1.1
56.96561	0.5
57.03437	1.8
61.02930	3.7
67.05504	2.9
69.03434	2.1
69.07061	1.1
71.01356	0.5
71.04990	1.5
71.16754	0.3
71.53641	0.5
73.02917	2.8
79.05493	2.7
81.03423	3.5
81.07046	2.6
83.04980	1.0
83.08614	0.9
85.02905	3.5
85.06552	0.6
87.04469	0.7
91.03950	2.2
91.05478	2.3
93.07042	3.8
95.04967	1.9
95.08601	1.0
97.02887	2.5
97.06550	1.2
97.10159	0.4
99.04465	1.0
101.02399	1.4
103.03957	0.7
105.07047	1.7
107.08601	2.3
109.02877	0.7
109.10186	0.9
111.08095	0.5
117.07031	0.5
119.08603	1.3
119.12635	0.4
121.10136	1.6
123.08094	0.4
127.03932	1.2
129.07059	0.5
131.08594	1.1
133.06470	0.4
133.10127	1.2
135.11681	3.3
137.09624	0.4
143.08556	0.4
145.10172	0.6
147.11707	1.0
147.92183	0.3
149.09644	1.3
153.12730	0.4
157.10144	0.8
165.12766	0.4
177.43597	0.3
181.12271	0.6
189.05527	0.4
193.12325	1.0
203.05423	0.4
211.13403	0.5
221.11523	1.0
225.14925	0.7
240.87810	0.3
243.08406	2.0
245.06052	0.4
255.16043	0.6
267.16083	0.8
277.14282	0.4
283.15143	3.7
283.17633	0.3
316.61639	0.4
339.18030	0.9
439.19412	9.4
439.25262	0.6
441.20993	0.4
469.20825	1.0
501.22974	9.7
511.11783	0.6
699.35608	100.0
700.35773	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	700.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.1
57.03445	4.5
57.07079	42.0
61.02929	15.3
67.05507	12.3
69.03417	1.7
69.07074	7.4
71.04994	0.7
71.08636	30.9
71.55730	0.7
72.49512	0.6
73.02916	5.1
75.04477	2.7
78.52489	0.6
79.05486	1.5
81.03427	1.4
81.06589	1.2
81.07058	17.5
83.08173	1.1
83.08631	11.3
85.02902	16.0
85.06558	0.8
85.10188	18.9
86.09705	1.1
87.04430	0.6
89.06017	1.2
91.03965	14.8
93.07018	0.9
95.07986	1.3
95.08610	28.0
97.02895	7.9
97.10176	10.8
99.04451	1.6
99.08115	0.6
99.11728	2.2
103.07577	1.3
107.08548	0.8
109.02838	0.8
109.09470	1.1
109.10157	12.8
111.11733	4.1
113.13286	1.1
115.03922	1.5
117.09151	0.9
121.10104	0.7
123.11708	5.0
125.13277	0.9
127.03927	5.9
136.06235	1.6
137.13248	1.9
145.04970	7.8
151.14806	1.1
163.06032	15.2
165.16371	0.8
184.07367	4.5
249.25858	1.2
267.26831	18.2
285.27835	3.9
314.65323	0.6
341.30511	100.0
342.30847	2.2
359.31558	43.3
360.31812	1.0
431.60864	0.7
700.44678	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	697.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
54.58037	0.3
55.01885	0.5
55.05505	1.3
56.94062	0.4
57.03433	1.4
61.02923	3.2
62.58366	0.4
67.05496	1.5
69.03439	2.3
69.36640	0.8
69.37041	2.3
70.78971	0.4
71.01346	0.4
71.05003	0.8
73.02931	2.5
79.05490	1.8
81.03423	4.3
81.07055	1.5
83.04989	1.6
83.08628	1.3
85.02912	5.0
91.03965	1.8
91.05465	2.8
93.07056	1.3
95.04955	2.0
95.08613	0.7
97.02902	2.6
99.04469	0.4
101.02376	1.4
105.07047	1.8
107.04941	0.6
107.08613	0.7
109.02895	0.6
109.06511	0.7
111.08098	0.5
118.03892	0.4
119.08580	1.3
121.10139	0.6
127.03918	0.9
129.07037	1.1
131.08595	1.2
133.10120	0.9
147.11711	1.5
149.09564	0.6
157.10181	1.6
174.01016	0.4
175.11211	1.1
185.04472	0.5
193.12277	2.5
203.05576	0.5
211.13304	0.8
243.08504	1.7
251.12648	1.1
267.09027	0.7
285.10172	1.3
285.17053	0.5
307.15216	0.6
357.15750	1.2
466.32712	0.4
469.20535	12.1
682.50427	0.5
697.34058	100.0
698.34161	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	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.05511	28.0
57.03438	7.5
57.07075	18.9
57.61790	1.5
59.05009	1.3
61.02661	1.6
61.02929	24.4
67.05505	38.7
69.03425	3.3
69.07072	47.1
71.04988	3.6
71.08635	12.5
73.02940	7.2
75.04443	3.0
75.93897	1.5
79.05499	18.6
81.06599	2.9
81.07056	45.5
81.32107	1.3
83.08622	40.6
85.02902	30.0
85.06523	2.2
85.10187	7.2
91.03956	29.1
91.05486	4.2
93.07040	24.6
95.08606	49.7
97.02900	16.3
97.06521	7.3
97.10174	28.8
98.21545	2.4
99.04406	1.4
99.08124	1.7
107.08588	18.3
109.10162	25.8
111.08084	7.1
111.11714	8.5
119.08503	1.7
121.10148	42.2
123.11703	7.3
124.50368	1.6
125.09612	3.0
125.13264	4.0
127.03909	10.8
129.08984	1.5
135.11700	33.8
137.13237	3.5
139.11150	2.2
145.04971	11.2
147.11649	1.4
149.13266	15.0
151.14809	4.3
153.12663	2.5
163.06013	22.5
163.14807	6.8
165.16356	4.6
167.14290	2.6
177.16298	2.8
191.17935	3.3
247.24200	40.1
265.25253	87.7
274.20071	1.6
283.26279	18.8
339.28946	100.0
340.29041	2.1
357.29999	72.3
358.30707	2.3
501.34171	4.1
554.03082	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.2
55.05510	28.1
57.03443	10.4
57.06835	2.3
57.07074	18.5
59.06126	4.1
61.02927	30.5
67.05505	41.0
69.03406	6.3
69.07066	51.7
71.08634	11.5
71.55839	3.3
73.02904	11.7
79.05495	14.5
81.03400	3.4
81.07057	47.7
83.08615	50.2
85.02898	39.9
85.06541	3.9
85.07683	2.8
85.10155	8.2
91.03958	28.6
91.05452	5.0
93.07033	19.2
95.08600	48.2
97.02879	17.8
97.06496	9.1
97.10177	30.4
99.04414	3.4
99.08083	3.9
103.08688	4.8
107.08578	18.8
109.10149	24.4
111.08092	6.6
111.11720	7.4
115.03885	2.8
121.10147	38.3
123.11691	7.1
125.09608	4.0
125.13179	3.0
127.03915	13.9
135.11691	27.4
137.13266	4.7
139.11172	3.8
145.04938	14.9
148.42145	2.1
149.13235	12.1
151.14812	4.7
153.12737	2.7
163.06009	30.5
163.14822	5.5
165.16354	5.3
177.16348	2.9
184.07385	3.3
201.96451	2.5
246.04736	2.2
247.24194	37.9
261.07126	2.7
262.22900	2.3
265.25275	93.2
266.25427	2.3
283.26318	18.0
339.28918	100.0
357.30008	83.9
372.06940	2.4
485.20074	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96729	0.8
53.03942	1.0
55.05513	12.2
57.03430	4.7
57.07077	7.6
61.02929	21.4
65.03928	1.3
67.05508	52.4
69.03413	2.9
69.07072	17.2
70.91019	0.9
70.91348	1.8
71.04997	1.8
71.08641	5.2
73.02926	9.8
79.05495	14.4
81.03426	1.6
81.07061	67.4
83.04977	1.8
83.08154	1.0
83.08628	15.6
85.02909	25.5
85.06522	2.8
85.10159	1.7
91.03416	1.4
91.03961	22.5
91.05475	10.4
93.06489	1.2
93.07049	17.4
95.04983	1.1
95.08611	60.5
97.02387	1.0
97.02905	13.1
97.06535	5.0
97.10171	10.6
99.08097	2.8
105.07024	8.1
107.08609	14.5
109.02865	1.5
109.10160	34.8
111.08072	2.5
111.11736	2.0
112.91185	0.9
113.09646	1.8
115.03929	1.4
119.08585	12.1
120.53636	0.8
121.10152	18.3
121.11017	1.0
123.08043	1.6
123.11721	16.3
125.09615	1.5
125.13284	1.2
127.03928	10.7
127.11199	1.2
131.08615	0.9
133.10149	12.6
135.11685	11.1
137.09598	1.4
137.13237	6.9
141.12711	3.5
145.04965	13.4
147.11682	9.5
149.13274	10.3
151.11139	2.0
151.14845	6.0
155.14331	3.1
161.13264	12.4
163.06029	22.2
163.14827	9.9
165.12888	1.1
165.16409	8.7
174.58777	1.0
175.14804	8.4
177.02422	0.8
177.16347	2.6
179.17990	6.0
180.27400	0.9
181.15825	1.1
184.07503	1.0
189.16426	4.4
203.17915	1.9
217.19438	1.3
225.18396	1.0
245.22658	62.7
247.24176	1.7
263.23715	100.0
264.23996	1.6
265.25241	2.6
281.24506	2.0
329.66885	1.0
337.27377	41.9
338.27612	1.1
349.16852	1.6
351.25436	0.9
355.28427	14.4
422.40854	1.0
487.18103	0.9
499.32596	1.6
534.29474	1.4
556.46869	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01863	0.5
55.05506	0.8
57.03435	1.4
61.02927	2.8
67.05516	1.7
69.03428	1.8
69.07074	0.8
71.01350	0.3
71.04986	0.7
73.02924	2.5
79.05507	2.4
81.03423	2.6
81.07066	2.0
83.04985	0.7
83.08604	1.4
85.02911	3.6
87.04499	0.3
91.03958	2.4
91.05476	2.3
93.07056	1.8
95.04957	1.6
95.08620	2.1
97.02899	2.9
97.06519	0.5
98.20731	0.6
99.04466	0.7
101.02378	1.4
103.03969	0.3
105.07022	1.4
107.04954	0.7
107.08608	1.6
109.02885	0.5
109.06501	0.4
109.10186	0.2
111.04456	0.3
111.08121	0.3
117.07018	0.5
119.08581	1.4
121.06504	0.4
121.10177	1.0
123.08079	0.5
123.11723	0.2
127.03940	0.9
129.07045	0.6
131.08600	0.7
133.06482	0.3
133.10143	1.3
135.11681	2.2
145.10120	1.6
147.07988	0.4
147.11710	0.7
157.10109	1.0
163.11189	3.3
175.11171	0.6
181.12180	0.5
185.04277	0.4
193.12297	1.0
211.13351	0.7
219.09987	0.3
225.93073	0.2
227.12791	2.8
243.08434	2.0
249.10997	6.2
251.12650	0.7
267.68921	0.2
285.17267	0.4
291.01031	0.2
305.10574	0.2
305.13412	1.3
307.15396	0.5
423.64523	0.2
467.18939	8.9
469.20453	8.7
533.27496	0.5
559.78387	0.2
695.32471	100.0
696.32837	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	695.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55401	0.3
53.03941	0.5
55.01873	0.6
55.05493	0.9
57.03449	1.4
60.27480	0.3
61.02930	3.3
62.30656	0.3
65.64456	0.3
67.05511	1.8
69.03427	1.6
69.07064	0.4
70.12299	1.1
71.01334	0.5
71.04978	0.5
73.02912	2.4
79.05500	2.0
81.03418	4.0
81.07057	2.0
83.04972	1.3
83.08619	1.2
85.02902	4.6
91.03960	2.9
91.05490	2.0
92.55855	0.2
93.07040	2.1
95.04973	1.4
95.08604	0.6
97.02893	3.6
99.04478	0.7
101.02380	1.3
105.07037	1.3
107.04971	0.6
107.08594	1.0
109.02894	0.4
109.10164	0.4
111.08075	0.5
115.03927	0.5
117.07042	0.4
119.08579	1.2
121.10136	0.8
123.08101	0.7
123.11682	0.4
123.69302	0.3
127.03877	0.8
129.07016	0.6
131.08574	0.7
133.10123	0.7
135.11691	0.7
145.10136	1.1
146.04349	0.3
147.08156	0.3
147.11694	0.6
149.09654	0.4
157.10158	1.0
163.11180	1.4
175.11168	0.6
185.04231	0.6
193.12277	1.2
196.88242	0.3
203.24983	0.3
209.11664	0.5
211.13367	0.4
243.08365	1.6
249.11000	0.5
251.12514	0.8
267.15912	0.3
269.17383	0.4
283.15662	0.5
285.16922	0.4
347.52011	0.3
461.29031	0.3
462.29593	0.5
467.18842	5.5
469.20425	5.8
695.32440	100.0
696.32782	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	694.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.1
55.01865	8.7
55.05269	2.8
55.05515	38.5
57.03435	25.9
57.07064	4.2
58.43095	2.1
59.05002	3.8
65.03925	5.5
67.05508	100.0
69.03413	6.2
69.07070	34.9
69.74166	1.9
71.04985	20.5
71.56108	3.0
71.56537	2.8
77.03881	2.5
79.05495	81.2
81.03420	15.7
81.06590	4.8
81.07057	73.2
83.04971	11.5
83.08611	16.5
85.02903	5.5
85.06541	9.3
91.04907	3.4
91.05486	68.5
93.07047	88.9
95.04959	16.8
95.08605	53.1
97.06532	18.8
97.10178	22.6
99.04436	3.7
99.08054	5.0
105.07036	51.3
107.04931	7.3
107.08598	61.5
109.06503	11.7
109.10155	34.0
111.08080	14.6
111.11739	2.8
111.19445	2.7
115.05424	2.8
117.07035	21.8
117.16699	2.1
119.06060	2.0
119.08577	36.4
121.06445	2.5
121.10139	37.9
123.08057	9.9
123.11698	4.9
125.00025	2.5
125.09622	13.8
127.07513	2.9
128.06229	3.9
129.06990	12.7
131.08568	38.7
133.06476	2.1
133.10123	24.5
135.08037	9.3
135.11667	12.7
137.09593	6.4
139.11182	10.8
141.07031	4.3
143.08546	13.1
145.10121	33.7
147.07991	2.4
147.11697	18.4
147.84363	2.3
149.09601	13.2
149.13237	5.2
151.11133	4.7
153.09085	4.5
155.08557	3.5
157.10120	9.7
159.11681	20.6
161.09618	5.2
161.13269	6.0
163.11160	7.7
165.12793	4.1
167.10664	3.5
169.10081	3.0
171.11697	9.7
173.09673	3.4
173.11806	4.7
173.13243	9.2
175.11206	3.3
175.14769	4.0
177.12770	3.6
183.11678	4.8
184.07344	8.6
185.13261	12.6
187.14809	8.7
189.11205	9.4
189.12738	5.4
193.12282	3.1
197.13312	5.6
201.16422	3.7
203.12732	8.8
203.14366	7.5
205.15900	5.3
207.13612	2.4
213.14856	8.7
217.15941	2.7
219.17436	5.3
221.15399	7.6
227.12837	4.3
229.14365	6.5
229.19420	6.7
233.15468	3.9
235.16951	5.0
239.17892	4.4
241.14369	9.3
257.19028	13.1
275.20053	58.2
293.21121	11.5
319.22324	2.2
349.23654	12.3
367.24866	10.2
443.22849	4.7
505.35611	2.5
694.46002	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	694.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
55.01839	1.7
55.02081	0.6
55.05509	7.3
57.03438	12.1
57.07062	0.9
61.02919	2.8
63.69040	0.4
65.03931	0.8
67.05504	26.4
67.05849	0.9
67.21276	0.5
67.51229	0.5
69.03441	3.0
69.07072	7.5
70.55595	1.8
71.01344	2.5
71.04990	4.1
73.02884	2.1
79.05490	26.2
81.03416	46.8
81.07053	15.8
83.04976	6.9
83.08165	0.7
83.08614	9.6
84.67200	0.5
85.02891	4.0
85.06503	2.2
91.03919	1.5
91.05476	14.7
92.05790	0.5
93.07043	27.7
94.07362	0.8
95.04395	0.9
95.04967	15.3
95.08614	5.0
97.02879	2.8
97.06528	7.5
97.09653	0.6
97.10166	7.6
99.04439	1.2
99.08047	1.0
103.03884	0.5
105.07030	7.3
107.04413	0.4
107.04964	4.2
107.08593	18.5
109.02850	0.7
109.06484	2.1
109.10165	5.0
111.04415	1.1
111.08074	5.0
115.05428	0.6
117.07010	3.8
119.08571	9.2
121.06528	2.5
121.10121	6.1
123.08041	1.4
123.11700	0.6
125.09601	1.8
125.42494	0.5
127.03873	1.2
129.07013	3.8
131.08562	4.2
133.06468	1.3
133.10121	5.4
133.24509	0.5
135.11684	29.5
137.09575	1.6
142.07756	1.3
143.08553	0.6
145.10101	6.2
146.10535	0.6
147.08005	1.3
147.11685	4.2
149.09561	2.7
149.13306	0.6
151.11211	1.0
153.12750	1.2
157.10118	5.2
163.03880	1.7
163.11157	5.4
165.12749	1.1
167.08263	0.5
175.11168	5.5
181.12224	6.1
184.07339	1.4
193.10663	0.9
193.12248	11.6
199.13275	1.3
211.13245	1.4
229.14204	0.8
243.08391	0.9
249.10930	0.7
249.14857	1.2
251.12502	1.1
255.15904	63.3
256.16241	1.0
267.15906	39.4
283.15283	1.0
285.10040	0.9
285.16949	0.7
301.14230	0.6
329.21216	0.6
355.22885	0.6
403.24783	1.3
421.25830	7.9
439.27130	1.0
447.27408	100.0
448.27698	2.1
465.28421	4.9
467.18881	2.3
468.19150	1.8
469.20151	1.4
479.29645	1.7
489.28296	1.8
497.31091	0.7
541.36407	0.5
555.29486	0.7
694.31183	18.3
695.32318	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	693.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01870	0.4
55.05524	1.1
57.03443	0.4
59.04997	0.3
59.87507	0.3
63.02390	0.5
67.05507	2.5
69.03429	0.3
69.07066	1.2
71.55392	0.5
78.04729	0.4
79.05495	3.0
81.03426	1.6
81.07067	3.6
83.04997	0.6
83.08626	1.2
85.02911	0.8
86.09717	0.4
89.03922	9.2
91.05478	4.1
92.05787	0.4
93.07043	3.5
95.04955	1.7
95.08607	3.6
96.02384	0.3
97.06538	0.7
97.10183	0.6
97.64764	0.3
98.04408	0.3
99.37937	0.3
103.03609	0.3
103.34452	0.3
105.07039	5.0
106.04137	0.6
107.08600	3.8
108.08266	0.3
109.02879	0.4
109.06515	0.5
109.10174	1.8
111.08061	0.5
113.06012	0.8
115.05443	0.8
117.03386	25.3
117.07021	1.3
119.04900	0.5
119.08590	5.4
121.06526	0.7
121.10154	2.2
123.08068	0.7
123.11716	0.8
127.07516	0.4
128.06241	0.8
129.06975	1.3
130.07813	0.4
131.04887	0.3
131.08563	3.8
133.06502	0.8
133.10143	3.2
134.03633	1.9
135.04427	1.3
135.11684	0.7
137.06038	0.6
141.06990	1.1
142.07750	1.7
143.08551	3.0
144.09337	0.5
145.02850	59.3
145.10112	4.6
146.03198	0.5
147.04417	0.4
147.08078	0.6
147.11671	2.4
149.05984	9.1
149.09785	0.3
149.13257	2.2
153.05537	0.4
153.06964	0.8
155.08540	1.7
156.09355	1.5
157.10150	5.2
158.06027	0.7
159.08102	0.7
159.11687	3.5
161.06023	0.4
161.09677	0.6
161.13297	1.3
163.03908	2.7
163.11150	0.6
165.06978	0.8
167.08554	1.0
168.09349	0.9
169.10117	2.0
170.10910	0.4
171.11691	3.1
173.09641	0.8
173.13286	2.3
175.07558	0.5
175.11246	0.8
175.14824	1.5
177.05475	100.0
178.05843	1.0
179.08505	0.5
180.09346	1.2
181.10103	1.9
182.10899	0.4
183.08035	1.4
183.11658	4.0
184.07346	0.6
185.09605	3.0
185.13213	2.2
186.05501	1.7
187.07602	0.4
187.11237	0.7
187.14778	2.4
189.05397	0.5
191.14333	0.7
192.09380	0.4
193.10114	1.2
193.12204	0.7
194.10860	0.4
195.06534	8.4
195.08269	0.6
195.11629	1.6
197.09648	0.7
197.13254	2.0
199.11182	1.6
199.14771	2.2
201.12723	0.7
201.16394	0.7
203.14310	1.2
205.15857	0.9
206.10909	0.6
207.11751	0.9
208.12541	0.3
209.09683	0.3
209.13272	1.4
211.11205	0.7
211.13104	0.7
211.14882	0.6
213.09244	0.4
213.12752	1.3
213.16380	1.0
215.14339	0.5
217.15944	0.5
218.10913	0.4
219.11729	0.5
220.12428	0.4
221.13301	0.7
221.15291	0.5
223.11194	0.8
223.14824	1.1
225.12788	1.0
225.16245	0.4
227.10686	0.7
229.12315	0.6
231.10089	0.4
231.17218	0.5
233.13275	0.5
235.14734	0.5
237.12685	0.7
241.12273	0.7
241.15887	0.4
243.47125	0.3
247.11011	0.4
249.16342	0.4
251.14465	0.5
255.13797	0.4
265.15652	0.4
267.15787	0.4
267.67188	0.3
268.16296	0.7
281.15692	0.4
285.16864	0.9
286.17377	0.7
319.16794	0.4
381.25937	0.4
389.24542	1.3
399.26740	1.0
401.28644	0.6
407.25577	1.1
415.26257	0.6
417.27896	1.1
419.29422	1.2
427.26172	1.3
433.27304	0.7
435.28848	0.4
437.30692	0.6
445.27454	5.8
453.19510	0.4
460.27701	0.9
463.28378	3.3
477.27927	0.4
478.28787	1.5
481.29202	1.2
496.29657	0.8
657.33240	0.4
675.35352	2.0
693.31317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
53.78301	0.3
55.01872	0.9
55.05502	0.8
57.03447	1.8
59.04983	0.4
61.02925	3.6
62.15952	0.3
66.86276	0.3
67.05489	1.9
69.03426	2.0
69.07060	0.8
69.19527	0.3
69.36143	2.5
71.01350	0.4
71.04991	0.8
73.02924	3.2
77.72684	0.3
79.05488	2.8
81.03411	3.1
81.07059	2.2
83.01377	0.5
83.04977	1.1
83.08622	1.1
85.02905	4.5
87.04452	0.5
91.03954	2.3
91.05490	1.6
93.07040	3.5
95.04955	0.8
95.08612	2.7
97.02892	3.5
97.06541	0.8
98.96466	0.3
99.04450	1.2
101.02395	0.9
105.07028	0.9
105.70115	0.3
105.81093	0.4
107.04962	0.9
107.08588	2.8
109.02921	0.6
109.06513	0.6
109.10138	0.6
111.08092	0.5
117.07042	1.2
119.08593	1.8
121.06526	0.7
121.10168	1.6
123.08083	0.5
127.03952	1.3
129.07034	0.5
131.08522	0.4
131.14159	0.3
133.10165	0.5
135.11682	3.8
145.10114	3.2
147.11740	0.4
153.12740	0.3
163.11180	6.1
164.11522	0.3
173.09665	0.6
181.12231	1.0
191.10735	0.4
203.05365	0.4
209.11803	0.6
219.10007	0.4
227.12784	3.3
243.08420	2.4
249.10971	7.1
255.16039	0.5
267.15942	0.6
283.15491	0.8
285.10101	0.4
305.13644	1.9
439.19479	0.4
447.27518	0.6
467.18909	15.9
478.29016	0.7
495.29062	0.4
496.29825	1.2
531.25726	0.6
568.54773	0.4
611.19702	0.4
693.30890	100.0
694.31232	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01865	2.6
55.05513	13.8
57.03435	11.4
59.04974	0.7
61.02913	2.1
65.03926	1.6
65.06557	0.7
67.05503	19.5
69.03439	4.5
69.07066	6.4
70.12540	1.4
70.12923	1.4
71.04996	5.4
71.09550	0.7
73.02919	1.8
79.05495	22.7
81.03419	76.1
81.07058	26.5
82.03775	0.8
83.04985	16.9
83.08623	25.7
85.02909	29.3
85.06533	2.3
85.67175	0.6
86.09689	1.0
91.05484	28.4
93.06484	1.2
93.07048	16.4
95.04968	28.8
95.08619	9.5
97.02891	6.2
97.06534	5.6
97.10172	4.4
98.21520	0.7
99.08081	1.2
101.81776	0.7
105.07033	23.2
107.04955	6.6
107.08586	7.3
109.06535	6.1
109.10157	2.2
111.04453	2.5
111.08080	11.9
113.05992	2.6
115.05445	2.1
117.07013	2.3
118.72043	0.7
119.08583	22.4
121.06535	1.8
121.10158	10.9
123.08080	3.0
123.11694	1.8
125.09636	2.3
129.07007	12.6
131.08560	12.5
133.06494	3.0
133.10132	9.8
135.11707	1.2
137.09631	2.4
142.07764	2.7
145.10103	3.0
147.08092	4.1
147.11690	20.9
149.09651	7.3
151.11168	1.0
157.10141	19.0
163.11234	2.1
165.12730	3.9
175.11183	21.3
184.07359	3.6
193.12250	54.0
194.12674	1.6
197.45799	0.7
211.13292	73.6
212.13724	0.8
250.05991	0.8
254.67284	0.7
267.13004	1.1
267.15921	31.3
285.16968	69.3
367.22733	2.6
370.44476	0.8
385.23770	4.3
403.24942	1.5
433.25525	1.3
441.26395	1.4
451.26874	0.8
459.27423	29.5
459.33978	1.5
477.28476	38.3
495.29529	100.0
496.29996	1.6
639.33820	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22038	1.2
52.74444	1.3
53.03941	3.4
55.01881	7.2
55.05516	35.1
57.03430	17.8
57.07065	2.5
59.05003	4.6
61.02935	7.0
61.97728	1.0
65.03925	2.5
67.05508	100.0
69.03434	3.9
69.07070	17.6
70.28213	1.0
70.98304	2.0
70.98624	1.8
71.01357	2.3
71.04990	6.3
71.08619	1.1
73.02916	5.3
73.31575	1.1
79.05497	39.8
81.03429	17.7
81.07060	80.6
83.04987	11.9
83.08624	26.3
85.02919	16.3
85.06544	4.4
87.04480	4.0
91.03954	4.9
91.04918	1.3
91.05488	27.8
93.07045	44.8
95.04977	8.0
95.08067	2.0
95.08616	23.1
97.02888	8.8
97.06532	11.7
97.10176	16.7
99.04469	1.2
99.08129	1.8
105.07040	11.9
107.04958	4.2
107.08597	31.3
109.06548	2.6
109.10163	54.8
111.04453	2.1
111.08081	8.6
113.06014	1.5
116.04729	2.0
117.07014	10.7
118.16424	1.1
119.08588	11.1
121.06502	2.5
121.10143	13.1
123.08073	3.2
123.11697	4.2
125.09641	15.3
127.03913	1.5
127.19170	1.2
129.05487	6.4
129.06975	2.8
131.08563	8.7
133.06512	1.3
133.10144	14.8
135.08064	2.5
135.11694	14.4
137.09581	2.8
143.10724	1.5
145.10124	5.4
147.11700	5.2
149.13275	11.6
151.11206	1.7
153.12820	2.4
155.10715	3.7
157.10155	2.0
159.11685	9.1
163.11166	9.2
165.12778	4.0
173.09599	1.2
173.11748	13.9
175.11177	2.5
177.12804	3.9
181.12239	3.4
184.07516	1.5
191.10628	3.3
193.12274	5.2
195.13831	13.3
199.13286	8.1
209.11790	7.8
211.13290	3.6
213.14731	1.6
227.12813	9.5
229.14371	53.3
239.16446	4.8
261.14877	1.4
265.14212	1.4
267.15915	10.5
269.17484	58.3
283.15491	6.3
285.16998	1.4
301.16489	17.2
313.16360	1.7
323.18640	1.4
411.22614	1.3
411.27197	6.2
423.27481	32.9
431.27747	2.1
449.29071	2.6
477.28473	3.1
495.29541	66.8
513.30688	24.9
528.65417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66227	1.6
55.05513	12.8
57.03439	10.1
57.07071	6.5
58.65584	1.5
59.05001	4.1
61.02930	4.1
67.05508	70.0
69.03419	2.4
69.07072	22.2
71.04996	3.0
71.08627	2.1
71.55456	2.7
73.40633	1.6
79.05508	8.7
81.07066	23.2
83.08619	17.2
85.02895	3.4
85.06523	4.1
86.09696	8.4
91.05480	3.2
93.07052	8.2
95.08613	16.9
97.10169	9.8
99.82150	1.6
107.08582	4.8
109.10165	70.5
111.08070	3.0
111.11723	1.9
119.08611	6.0
121.10133	5.6
123.11755	1.8
124.99981	5.4
135.11697	5.0
143.28978	1.7
149.13252	2.7
155.10651	3.1
159.11392	1.6
163.14749	1.8
173.11751	16.4
184.07350	25.1
211.28198	1.7
229.14369	100.0
236.56816	1.8
265.25436	2.1
339.28973	83.0
340.29196	2.6
433.49582	1.8
490.41541	2.0
493.38892	70.6
519.36627	2.4
549.42120	2.3
601.20032	2.0
690.45837	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01886	3.4
55.05510	20.7
57.03440	17.0
58.34846	1.6
59.45914	1.4
61.02919	3.3
67.05507	29.3
69.03436	7.1
69.07063	9.7
70.79640	2.4
70.79971	3.4
71.04980	5.7
73.02917	2.2
79.05491	36.6
81.03416	89.0
81.06593	1.9
81.07053	32.2
83.04976	22.7
83.08621	36.0
84.60071	1.4
85.02901	33.9
85.06551	3.2
86.31353	1.7
91.03975	1.7
91.05477	45.1
93.07043	22.7
95.04965	33.6
95.08610	11.1
97.02887	6.6
97.06528	6.8
97.10167	6.3
98.20905	1.8
105.07030	27.0
107.04966	7.6
107.08600	9.1
109.06508	6.2
111.04469	3.2
111.08080	14.3
113.06000	3.1
115.05466	3.2
119.08581	29.0
119.09382	2.5
121.06505	4.0
121.10134	11.6
123.08076	3.4
123.11641	2.3
125.09661	2.8
129.07016	14.7
131.08569	13.0
133.06476	4.5
133.10144	15.6
137.09613	3.5
142.07788	4.0
147.08029	4.0
147.11676	22.9
149.09642	6.5
157.10117	19.7
165.12804	3.8
175.11203	22.8
188.98763	1.5
191.23825	1.8
193.12234	69.5
211.13284	100.0
238.90758	1.7
251.23979	1.3
267.15924	39.9
285.16953	99.0
367.22800	2.0
385.23886	4.1
459.27423	27.0
477.28482	32.7
495.29529	95.1
496.29810	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
55.05517	7.9
56.65436	1.0
57.03440	15.3
57.07078	19.0
59.07024	1.3
61.02919	2.5
67.05510	29.5
68.13828	1.0
69.07071	13.2
71.01350	2.2
71.04979	2.5
71.08631	15.3
71.55718	1.3
79.05085	1.8
79.05501	25.3
81.03413	4.7
81.07054	18.7
83.04970	5.2
83.08620	6.2
85.02901	2.7
85.06539	2.8
85.10188	9.9
86.09701	3.2
89.06058	1.6
91.05488	11.2
93.06493	1.7
93.07046	28.7
95.04939	1.5
95.08612	14.7
97.02879	1.4
97.06525	7.4
97.10178	10.3
99.08083	2.3
105.07006	2.1
107.08605	22.2
109.10178	8.7
111.08054	1.6
111.11735	1.7
117.06994	2.4
119.08622	5.1
121.06435	1.8
121.10171	5.6
123.11690	1.9
124.99963	2.0
125.09666	1.4
126.49657	1.2
133.10121	2.0
135.08022	1.3
135.11694	34.6
136.06187	4.6
145.10120	5.7
153.12735	1.2
163.11198	5.2
179.14272	1.3
181.12239	7.1
184.07330	12.8
187.14790	1.1
239.23607	1.6
255.15916	100.0
257.53928	1.4
277.21527	1.4
313.27350	44.1
493.38901	76.4
550.65454	1.1
609.44708	2.5
685.62128	1.1
690.48773	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	690.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01880	6.6
55.05512	16.2
57.03438	12.2
59.04992	1.9
61.02935	4.3
65.03935	1.0
66.39983	0.8
67.05505	18.6
69.03419	3.0
69.07070	5.0
71.01353	1.0
71.04984	3.7
73.02915	1.5
77.02241	0.7
79.05493	20.8
81.03419	41.9
81.07056	21.5
83.01345	4.3
83.04982	16.6
83.08155	1.3
83.08620	19.9
85.02901	19.0
85.06528	1.5
91.03953	2.7
91.05478	22.8
93.07042	20.3
95.04967	18.9
95.08604	8.5
96.05326	0.8
97.02892	4.9
97.06512	4.0
97.10148	3.1
99.04456	1.9
105.07027	15.8
107.04946	9.0
107.08588	10.5
109.06524	5.7
109.10150	2.7
111.04451	2.3
111.08075	7.5
113.06025	2.0
114.06877	0.7
115.05424	0.9
117.07024	5.5
119.08575	17.2
121.06509	3.0
121.10137	8.5
123.08047	7.6
123.11702	1.2
125.05997	1.0
125.09614	2.3
129.07028	6.3
130.07802	1.2
131.08585	8.6
133.06517	1.9
133.10107	8.2
135.08073	1.1
135.11700	7.4
137.09601	2.4
142.07768	1.6
145.06522	0.8
145.10130	9.1
147.08052	3.4
147.11678	10.8
149.09589	4.7
153.12697	1.1
155.08514	1.3
157.10126	9.0
163.11174	15.0
165.12729	1.8
173.09674	2.0
175.11177	9.8
181.12215	1.7
191.10739	1.2
193.12247	27.1
209.11743	3.2
211.13297	41.1
212.13705	0.9
227.12741	2.9
255.52269	0.8
267.15942	9.7
283.15384	46.6
285.16977	35.3
383.22104	2.8
457.25800	5.0
475.26920	16.5
493.27939	100.0
494.28348	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	690.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61610	0.7
53.03936	1.9
55.01871	3.8
55.05274	0.9
55.05513	11.1
57.03193	0.8
57.03439	9.2
57.07068	0.5
58.31643	0.5
59.04995	0.6
61.02906	1.5
65.03927	1.0
67.05138	0.6
67.05504	15.7
69.03427	1.9
69.07072	4.8
71.04991	2.4
73.02899	1.7
79.05495	21.8
81.03420	33.9
81.07058	22.0
82.03738	0.6
83.01358	1.0
83.04980	9.1
83.08148	1.1
83.08622	15.2
85.02911	13.1
85.06535	0.6
91.03962	0.6
91.05480	17.8
93.07048	25.1
93.07640	1.3
95.04971	16.6
95.08607	22.9
97.02894	4.4
97.06528	4.5
97.10200	2.7
99.04447	2.8
99.08081	0.8
105.07033	13.7
107.04963	8.9
107.08601	17.6
109.06498	4.1
109.10166	2.7
111.04431	2.8
111.08099	6.5
113.05987	1.5
117.07014	5.9
119.04984	0.6
119.08588	13.7
121.05801	0.5
121.06528	4.1
121.10145	10.5
123.08065	2.4
123.11699	0.8
125.05983	2.2
125.09617	1.2
129.07024	6.4
130.07774	1.3
131.08600	6.5
133.06502	1.4
133.10133	7.4
135.08073	1.5
135.11696	27.6
137.09610	1.1
137.13231	0.6
139.07532	1.1
142.07765	1.4
143.08461	0.8
145.10129	17.1
147.08038	1.8
147.11688	7.9
149.09645	3.3
153.12770	1.0
157.10133	7.5
163.11189	35.9
165.12764	1.8
173.09669	1.5
175.11197	7.7
181.12236	7.3
193.10483	0.8
193.12253	22.0
209.11801	1.7
211.13292	26.0
227.12782	36.7
249.14929	0.9
267.15939	22.3
283.15402	50.9
284.15625	0.9
285.16962	38.8
307.32639	0.6
315.36853	0.6
316.70340	0.6
348.40692	0.6
353.54242	0.6
457.25940	1.5
475.26935	23.4
493.27975	100.0
494.28271	2.7
618.52850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51783	3.0
51.09970	2.5
53.03943	3.3
55.05500	13.2
56.96580	2.9
57.03432	8.4
67.05512	33.2
69.03416	4.4
69.07079	7.2
71.04978	3.0
71.55031	5.1
75.04564	3.0
79.05492	46.5
81.03005	3.6
81.03427	49.7
81.07051	35.7
83.04984	12.6
83.08619	13.6
84.88990	2.4
85.02908	15.3
85.06564	3.5
91.05489	37.9
93.07044	44.1
95.04961	22.3
95.08610	19.5
97.02858	3.8
97.06544	4.4
97.10178	4.1
105.07036	36.4
107.04950	7.2
107.08587	15.5
109.06516	8.1
109.10161	4.7
111.08064	8.3
117.07020	5.4
119.08572	24.5
121.06522	3.4
121.10158	5.9
123.08073	4.9
128.06239	3.0
129.07014	14.8
131.08562	13.5
133.10118	17.2
134.01425	3.0
143.08562	3.2
145.10094	9.5
147.11693	28.5
149.09634	4.1
157.10115	9.4
161.13272	5.3
165.12805	4.2
171.11676	15.4
175.11176	8.9
189.12776	8.1
193.12190	18.4
203.41791	3.3
207.13770	10.6
211.13304	30.2
267.09027	3.5
267.15945	41.6
281.17480	54.3
283.15048	3.5
285.10138	5.1
285.16940	30.6
306.70541	3.3
473.29028	100.0
491.30249	76.6
543.89471	3.1
547.13336	3.4
637.97150	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	688.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.5
53.03922	1.8
54.38477	0.4
55.01873	4.4
55.05514	7.9
55.35403	0.4
57.03437	6.2
59.04968	1.3
61.02903	1.7
67.05508	9.5
68.49798	0.5
69.03392	1.4
69.07066	2.7
69.55984	2.9
71.05000	2.8
73.02905	1.0
73.41035	0.4
78.01855	0.4
79.05495	16.4
81.03422	5.4
81.06610	0.7
81.07057	12.4
83.00924	0.4
83.01350	4.3
83.04984	6.3
83.08626	7.6
83.38022	0.4
85.02923	2.8
85.06512	0.9
91.03930	0.7
91.05003	0.5
91.05490	7.6
93.07048	22.4
95.04970	4.2
95.08609	16.0
97.02887	2.8
97.06536	2.9
97.10144	1.1
99.04468	3.1
105.07033	6.4
107.04309	0.5
107.04964	6.5
107.08599	16.6
108.37963	0.4
109.06519	4.0
109.10146	1.9
111.04439	2.1
111.08073	0.9
111.47800	0.4
111.75523	0.5
113.05982	0.5
117.07021	6.9
119.08588	7.7
121.06514	3.7
121.09342	0.7
121.10140	9.6
123.07336	0.5
123.08070	4.9
125.05959	1.7
125.09590	0.8
129.06996	0.8
130.07762	0.9
131.08553	1.5
133.10123	2.3
135.08035	1.4
135.11696	26.3
137.09604	0.6
139.07539	0.9
143.08600	0.6
145.06442	0.8
145.10124	20.0
147.07971	0.6
147.11621	0.5
151.11052	0.5
153.12700	1.8
155.08551	0.9
163.11182	40.4
173.09563	1.7
174.94600	0.4
181.12228	7.1
191.10719	2.0
209.11749	5.1
220.63445	0.5
227.12782	29.1
235.75348	0.4
265.14392	0.6
283.15399	100.0
284.15817	0.8
473.25461	1.2
491.26410	75.5
492.26813	1.5
683.22650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
57.07065	2.6
67.05505	4.8
69.07059	1.5
71.08615	2.5
71.56586	1.1
79.05494	2.6
81.07063	4.2
83.08619	2.4
84.24303	0.6
85.10184	1.2
91.05482	1.6
93.07066	4.1
95.08598	7.0
105.07039	1.2
107.08604	1.9
109.10168	1.7
119.08585	1.3
121.10143	0.9
131.08589	0.9
135.11696	0.7
150.30884	0.7
158.54041	0.7
179.14349	0.9
182.74077	0.8
187.69063	0.8
313.27588	0.8
333.20636	1.1
335.21915	11.7
340.93204	0.7
347.50027	0.7
391.24738	4.7
468.37317	1.4
575.39368	4.6
575.49951	5.7
589.48529	2.0
687.38782	4.3
687.48077	100.0
688.48077	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	688.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35950	0.4
53.03931	1.5
54.17670	0.4
55.01881	3.8
55.05268	0.7
55.05511	8.8
57.03434	7.1
57.07076	0.6
59.05008	2.0
61.02922	3.8
67.05190	0.6
67.05512	7.3
69.03417	1.0
69.07069	2.2
70.79868	0.9
70.80192	0.4
70.85596	0.4
71.01336	0.7
71.04977	2.3
71.08620	0.5
73.02914	1.1
76.64677	0.4
79.05494	11.8
81.02930	0.7
81.03410	8.3
81.06609	0.6
81.07058	11.6
83.01337	7.2
83.04977	8.3
83.08150	0.7
83.08620	7.4
85.02908	6.1
85.06526	1.0
91.03960	1.6
91.05476	7.9
93.07045	16.7
95.04977	4.9
95.08605	4.8
97.02901	3.3
97.06512	2.4
97.10149	0.8
99.04436	2.0
105.07032	5.1
107.04954	5.4
107.08587	8.2
109.06528	4.6
109.10134	1.5
111.04452	2.6
111.08095	1.2
111.11662	0.5
117.07012	5.9
119.08579	4.9
121.06532	2.7
121.10146	5.8
123.08069	6.1
125.05984	1.6
125.09622	1.3
129.06970	1.0
129.15169	0.5
130.07776	0.7
131.04874	0.4
131.08549	2.0
133.10133	1.5
135.08025	1.6
135.11696	9.5
137.09605	1.2
139.07565	0.4
143.08556	0.6
145.06459	0.5
145.10110	11.4
147.08035	1.3
149.09607	0.6
153.12708	1.6
155.08553	1.3
159.73790	0.4
163.11177	20.2
163.12552	1.0
173.09666	2.6
181.12254	2.6
191.10661	1.7
209.11751	4.5
227.12805	2.3
245.58618	0.4
283.15393	100.0
284.15768	1.2
320.32419	0.5
443.04990	0.4
473.25226	0.8
491.26385	47.4
492.26645	1.2
618.31598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52477	0.4
51.47271	0.3
55.05512	2.1
57.03440	0.7
59.81213	0.3
67.05508	4.2
69.07065	1.4
70.02346	1.7
71.04984	0.4
71.08637	0.9
79.05495	2.2
81.07061	4.2
83.04993	0.5
83.08632	0.9
91.05486	1.2
93.07038	1.8
95.08607	2.8
97.10216	0.7
98.20782	0.6
99.08108	0.6
105.07044	1.2
106.69920	0.3
107.08596	1.4
109.10172	1.4
111.08142	0.4
119.08624	0.9
121.10152	1.5
123.11755	0.4
131.08606	0.6
133.10205	0.6
135.11751	0.4
147.11653	0.6
151.11247	0.5
171.79665	0.4
225.53531	0.4
319.22482	1.3
321.60474	0.4
333.20383	10.1
337.27487	1.0
338.27597	0.7
344.61972	0.4
357.87564	0.4
375.25226	0.6
389.22961	5.1
449.85614	0.4
473.20673	0.4
506.38702	0.4
521.25769	0.7
523.27020	1.4
532.40857	0.9
582.28265	0.8
587.17395	0.5
653.29498	1.1
685.46399	100.0
686.33496	0.7
686.46997	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	686.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.9
53.03946	4.3
55.01863	2.6
55.05272	0.8
55.05514	10.5
57.03437	4.9
57.07062	1.1
59.04987	1.5
60.32407	0.7
61.02921	1.2
65.03937	1.1
67.05510	20.8
69.03423	1.4
69.07073	5.2
71.04987	2.8
79.05496	33.3
81.03422	8.7
81.07059	21.1
83.01343	2.3
83.04543	1.1
83.04982	8.1
83.08623	5.4
85.02888	2.6
85.06544	1.7
89.43838	0.8
91.00510	0.7
91.03963	1.0
91.05482	26.2
92.05817	0.8
93.07050	36.4
95.04977	9.3
95.08625	10.6
97.02899	2.7
97.06544	3.8
97.10167	2.1
99.04446	1.5
105.07036	17.7
107.04967	7.1
107.08595	12.5
109.06528	5.5
109.10139	3.1
111.04441	1.8
111.08105	1.1
115.05397	1.0
117.07022	6.1
119.08597	12.4
121.06508	2.2
121.10158	6.1
123.08103	5.7
125.06043	0.9
125.09657	0.9
127.07537	0.8
128.06221	1.0
129.07027	7.2
131.08560	3.0
133.10150	6.3
135.11696	5.0
143.08556	3.8
145.10129	10.7
147.08003	1.7
147.11688	13.5
149.09697	0.9
153.12798	0.8
155.08499	1.2
159.11713	1.7
161.09586	1.9
161.13240	4.4
163.11172	11.3
171.11714	10.0
173.09641	1.0
181.12236	1.2
189.12766	4.7
191.10634	1.6
207.13815	12.3
209.11729	1.8
225.14922	1.3
227.12814	2.0
231.28697	0.8
265.14407	2.1
270.37103	0.8
275.20059	1.1
281.17487	36.7
283.15430	31.4
471.27460	4.2
489.28510	100.0
490.28787	1.3
567.19360	0.7
582.36774	1.0
607.58307	0.8
664.93768	0.9
668.38452	1.2
686.39514	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	685.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98724	0.8
53.03932	4.0
55.01858	2.8
55.05280	1.1
55.05512	14.5
57.03441	11.5
57.06798	1.7
57.07075	29.4
59.05007	0.9
60.80127	0.9
62.94481	0.9
65.03926	1.3
67.05505	21.7
69.03439	9.9
69.07068	10.7
70.21547	3.1
71.04984	4.1
71.08243	1.3
71.08633	25.7
73.02917	1.5
79.05077	1.0
79.05496	12.0
79.77721	0.9
81.03419	57.1
81.06602	1.4
81.07056	28.8
83.04981	29.0
83.08620	22.9
85.02909	13.7
85.10182	13.8
89.06023	1.5
91.05476	13.6
93.07049	9.0
94.44975	0.8
95.04967	17.0
95.08610	23.4
96.24890	0.9
96.94751	0.9
97.02896	12.4
97.06525	4.5
97.10158	5.6
99.04456	3.6
99.08142	1.3
103.07538	1.0
105.07034	11.7
107.04942	4.2
107.08582	6.0
109.02877	7.6
109.06510	3.3
109.10159	9.7
111.04440	11.2
111.08080	7.2
113.05968	1.2
119.08585	12.2
121.06486	1.2
121.10148	6.8
123.08083	1.6
123.11683	4.0
125.09621	1.6
127.03941	6.0
129.05475	10.5
129.07013	7.4
131.08592	8.2
133.06447	1.3
133.10115	5.0
135.11717	2.3
142.07735	1.4
145.10115	2.1
147.08105	2.4
147.11688	11.1
149.09624	4.2
153.12793	2.0
157.10150	8.4
163.11189	3.3
165.12744	3.4
175.00117	0.9
175.11191	10.6
175.42593	1.0
176.05493	1.0
176.11726	1.0
181.12239	2.9
191.10619	3.1
193.12241	32.8
193.81023	0.8
194.12599	1.4
201.07454	1.1
209.11606	1.1
211.13281	46.3
227.12758	5.2
229.14323	4.1
239.23688	3.6
249.15001	2.3
255.47270	0.9
257.24713	1.5
267.15906	15.8
285.17041	9.1
300.62268	0.9
301.14087	1.0
313.27359	55.2
319.15408	1.4
337.16376	2.1
355.17737	4.7
411.19870	3.0
429.21259	20.9
505.38956	11.2
523.39948	100.0
524.40002	2.8
614.28229	0.9
667.44080	21.6
668.44043	1.5
685.44733	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.0
55.01871	13.2
55.05514	16.6
57.03437	15.9
57.06792	2.2
57.07077	44.8
58.72861	1.0
59.04997	1.4
65.03932	1.3
66.91704	1.0
67.05503	37.5
69.03434	22.9
69.07069	14.6
71.04990	12.2
71.08632	35.3
71.09013	2.4
79.05492	18.4
79.21750	1.0
81.03419	100.0
81.07053	32.0
83.01345	2.2
83.04980	27.5
83.08620	16.0
83.45303	1.1
85.02903	9.0
85.06572	2.3
85.10179	20.2
91.05465	8.8
93.07049	24.9
95.04937	7.1
95.08607	33.0
95.64180	1.3
97.02895	30.5
97.03513	1.6
97.06532	7.1
97.10206	6.6
99.04457	11.2
99.08123	1.8
105.07028	5.7
107.04926	5.9
107.08600	13.9
109.02886	32.5
109.06523	2.2
109.10168	16.9
111.04446	32.6
111.08080	11.7
117.06993	6.1
119.08588	6.3
121.10141	9.1
123.04476	1.9
123.08062	1.4
123.11747	4.3
125.06009	3.0
125.09660	1.6
127.03917	27.3
129.05571	1.3
129.07022	2.4
131.08600	5.0
133.10144	2.1
135.08073	1.8
135.11697	17.2
137.06062	1.5
137.13263	1.6
145.10109	14.8
147.08025	2.0
147.11687	3.0
149.09595	2.9
153.12755	26.0
155.08611	1.9
163.11180	26.1
173.09604	5.6
181.12239	26.0
181.13716	2.0
183.06599	1.9
189.11075	1.6
191.10672	20.7
191.12299	1.2
209.11736	10.9
222.30473	1.3
227.12790	49.9
239.23705	6.7
241.19681	1.1
257.24826	1.7
275.12964	2.6
283.15372	23.5
285.11667	1.4
289.14297	2.4
301.16541	3.4
307.15366	1.5
311.25806	1.5
313.27356	97.9
314.28226	2.0
317.13940	2.1
333.20264	1.3
335.15048	3.1
341.26968	2.8
353.15979	20.4
389.22995	1.8
391.17361	1.3
409.18860	2.6
410.02634	1.3
421.29617	2.3
427.19632	49.3
428.19891	1.3
459.90063	1.3
493.38928	1.3
521.38428	18.6
539.39594	10.7
571.47052	4.2
665.42621	46.0
666.42981	2.7
683.44452	41.2
684.44305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	2.3
55.01865	5.1
55.05278	3.2
55.05516	37.3
57.03446	14.4
57.07076	13.4
59.04986	3.3
63.47765	2.0
65.06632	2.2
67.05507	100.0
69.03423	4.8
69.07066	41.9
69.34980	16.8
69.35391	5.0
71.04984	12.0
71.08637	34.7
73.06539	3.3
79.05016	3.0
79.05492	56.5
81.03408	4.9
81.07057	98.0
83.04974	12.6
83.08616	22.9
85.06534	6.4
85.10189	11.7
91.05474	40.9
93.06487	3.9
93.07048	64.6
95.04964	10.7
95.08609	85.4
97.06531	13.0
97.10182	13.0
99.08102	28.1
105.07030	37.8
107.08597	36.7
109.06510	7.6
109.10163	33.0
111.08065	5.1
111.11713	2.8
113.09667	16.1
117.07003	8.4
118.06519	2.4
119.08578	28.2
121.10150	37.6
123.08049	6.5
123.11703	10.4
125.09616	7.5
129.07004	4.6
131.08566	17.1
133.10158	16.6
135.08044	5.8
135.11713	19.4
137.09576	2.8
137.13258	3.4
139.11168	10.9
141.12741	3.9
143.08577	4.3
145.10135	17.7
147.11687	24.5
149.09619	8.9
149.13246	10.1
151.11205	7.2
153.12859	2.9
155.10670	4.6
157.10120	5.5
159.11676	6.7
161.13226	12.9
163.11171	6.6
163.14862	11.4
165.12778	16.5
167.10715	3.2
167.14442	2.4
169.12349	3.9
171.11705	4.9
173.11830	4.7
173.13268	8.3
175.14838	3.2
177.12839	2.6
177.16461	4.5
179.14293	8.8
183.13748	6.1
185.13274	2.3
187.14793	4.3
189.11223	3.9
203.12743	3.9
203.14383	3.3
213.14781	4.6
225.03270	2.4
229.14391	7.4
239.16435	7.6
241.14410	5.3
243.21123	8.4
245.22641	2.8
253.17993	3.4
257.19003	3.9
259.15363	11.8
259.20670	4.5
261.22095	10.2
267.15961	3.6
275.20163	17.0
277.21609	30.9
277.24396	3.6
279.23236	21.1
293.21030	3.4
295.22702	29.8
315.23019	2.8
333.24136	3.2
335.25760	10.7
337.27396	8.6
351.25317	19.5
353.26926	26.5
355.28470	5.4
367.24686	3.0
369.26337	6.6
553.40857	4.9
629.47784	3.9
682.51624	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	681.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05516	13.1
57.03446	2.1
57.07078	2.2
62.12083	1.4
67.05507	20.3
67.22813	1.1
69.07063	14.7
70.56223	1.1
70.68680	2.0
70.69022	2.6
71.04980	1.6
71.65784	1.4
73.02904	1.2
79.05089	0.9
79.05493	23.9
81.03464	1.7
81.06592	2.6
81.07059	49.7
83.04981	2.6
83.08623	11.3
85.02901	7.0
89.31010	1.3
91.05481	23.5
93.06488	2.7
93.07046	43.0
95.01325	13.4
95.04970	5.6
95.08611	59.7
97.02889	1.8
97.06538	5.1
97.10165	4.5
99.08097	11.8
103.03976	2.0
103.05499	2.3
105.07033	55.3
107.08595	66.6
109.06515	3.4
109.10161	30.0
111.08055	2.4
117.07027	8.2
119.08584	86.2
121.06513	2.3
121.10140	38.5
123.08068	4.9
123.11692	8.0
125.05976	1.7
125.09624	3.9
127.07560	2.0
128.06181	3.1
129.06999	8.8
130.07845	1.8
131.08569	44.1
133.10136	39.8
135.11691	21.5
137.09612	1.4
137.13237	2.5
141.01833	26.2
141.06984	3.7
142.07767	4.1
143.08565	23.8
144.09268	3.1
145.10126	67.0
145.86916	1.3
147.07925	1.6
147.11699	45.5
149.09636	1.7
149.13260	41.2
149.14401	2.8
151.07520	2.1
153.09100	2.9
155.08546	8.7
156.09320	5.6
157.10135	32.1
158.10875	2.1
159.02812	1.3
159.08064	3.1
159.11696	53.0
161.09618	3.9
161.13274	33.2
163.07578	4.2
163.11151	2.0
163.14832	12.8
167.08435	1.9
168.09396	2.3
168.37460	1.3
169.10126	14.4
170.10970	3.1
171.11694	26.7
172.12508	1.6
173.09744	2.1
173.13264	41.5
175.11235	2.0
175.14830	36.2
177.05438	1.7
177.09109	2.4
177.12730	1.3
177.16338	6.0
179.14294	2.5
181.10126	4.8
181.12238	1.5
182.10834	2.8
183.11707	15.5
185.09592	1.5
185.11627	2.2
185.13251	35.8
187.14822	58.9
189.12767	3.0
189.16385	20.1
191.14331	5.5
193.15898	3.6
195.11688	8.2
197.13242	12.4
199.14825	44.4
201.16391	56.7
201.18297	2.7
203.14325	17.4
203.17888	7.8
205.15900	13.5
207.11665	3.9
208.12495	1.7
209.13300	10.1
211.14839	14.4
213.16393	30.2
215.14351	4.6
215.17972	7.7
217.15897	11.9
219.13794	3.7
219.17421	10.3
221.13391	2.8
221.15356	7.1
223.14806	7.4
223.16803	1.9
225.16368	11.4
227.17935	10.1
229.15948	3.7
231.13934	2.8
231.17427	7.6
233.15393	6.7
233.18962	1.5
235.14821	3.7
235.17015	2.4
237.16425	9.7
239.17993	8.0
241.19539	5.8
243.21245	1.7
245.15393	12.2
245.19061	2.3
247.16997	9.0
249.14690	13.9
249.18654	2.0
251.17969	5.9
253.19455	8.9
255.21133	2.0
259.17004	7.9
263.17966	3.0
265.19580	8.6
267.21082	4.1
271.16858	3.7
277.19464	4.1
279.21030	8.4
281.22519	7.2
283.16910	2.1
283.20554	3.3
285.18570	1.9
291.21140	2.0
293.22568	3.2
295.24170	2.3
297.22040	2.6
299.20239	3.0
299.23755	3.4
305.22562	1.9
307.24164	3.5
309.21970	2.2
317.22552	2.6
319.24121	2.0
321.25888	2.2
325.21658	6.6
327.23206	2.9
333.25735	4.8
335.23505	1.7
347.27188	1.9
349.28830	7.3
351.23126	1.9
353.24704	4.1
367.26129	3.6
367.30005	8.8
375.30573	2.6
387.30490	21.4
389.32120	3.4
393.31744	2.8
395.29449	35.3
405.31531	75.9
406.31836	1.6
407.33167	6.5
411.32758	2.3
413.30417	13.1
421.30966	9.7
423.32611	44.8
425.34183	3.0
433.31061	61.2
434.31363	1.5
439.31961	5.2
441.33630	7.2
451.32083	100.0
469.33133	35.8
487.34180	6.8
563.33624	6.1
581.34534	8.2
591.33411	2.7
599.35443	2.1
609.34064	4.2
627.34924	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	681.346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
53.46672	0.4
53.96626	0.4
55.05506	1.0
57.03431	1.6
58.01051	0.5
61.02930	3.1
65.89797	0.5
67.05501	4.4
69.03409	2.0
69.07056	1.6
71.04980	1.0
73.02916	1.8
79.05496	2.6
80.95036	0.4
81.03424	3.0
81.07051	4.6
83.04980	0.8
83.08612	1.7
85.02917	3.7
91.03957	2.3
91.05482	2.0
93.07037	4.0
95.04958	1.4
95.08600	1.6
97.02892	2.9
97.06531	0.9
99.04470	0.8
101.02384	1.1
103.30035	0.5
105.07038	1.8
107.04957	0.8
107.08595	2.1
109.02896	0.8
109.06535	1.1
109.10138	0.7
111.08092	0.7
115.03989	0.5
117.07040	0.8
117.56412	0.5
119.08581	1.4
121.10154	2.2
122.02707	0.5
127.03896	1.0
131.08580	0.9
133.10123	1.1
135.11673	1.3
145.10123	0.8
147.11697	1.3
149.13260	2.4
157.10170	0.9
159.11717	0.7
159.53140	0.5
161.00946	0.5
161.80554	0.5
175.11192	0.6
177.12741	0.6
192.80521	0.5
193.12291	1.5
195.13766	0.5
211.13312	1.2
229.20279	0.7
235.13051	0.9
243.08463	2.0
251.12611	4.0
307.15192	0.5
451.31827	0.6
453.20923	10.5
454.21414	0.6
469.20529	5.9
681.34473	100.0
682.34772	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	680.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04347	2.8
53.03946	5.4
54.52009	2.8
55.01863	5.2
55.05511	35.6
57.03440	20.7
57.07068	5.7
65.03934	4.4
67.05508	100.0
69.03427	3.0
69.07069	31.8
69.29527	2.7
70.78779	2.8
70.79089	4.2
71.04998	17.0
71.08640	24.8
79.05499	63.5
81.03424	6.7
81.06594	5.5
81.07060	99.3
81.07538	5.4
81.24120	2.8
83.04987	11.4
83.08625	20.7
85.06544	9.5
85.10175	3.0
87.21032	2.5
91.05485	51.9
93.07043	74.0
95.04971	12.0
95.08611	74.6
97.06529	14.8
97.10163	13.6
99.08106	24.5
105.07030	47.1
107.04945	5.2
107.08596	54.8
109.06544	6.6
109.10165	38.7
111.08083	10.0
112.36864	2.9
113.09643	5.8
117.07035	16.7
119.08584	31.8
121.10153	37.8
123.08086	6.7
123.11704	7.8
125.09641	12.5
129.07018	7.9
131.08585	27.8
133.10101	17.4
135.08058	10.8
135.11699	12.8
137.13289	4.8
139.11201	9.5
143.08543	5.7
145.10107	20.9
147.11690	23.6
149.09625	10.0
149.13242	8.1
153.09085	3.4
157.10176	4.9
159.11720	14.0
161.13252	12.0
163.11176	7.8
163.14830	8.4
165.12744	6.0
171.11575	5.5
173.13286	11.0
175.11192	3.5
175.14818	5.4
177.12715	4.8
179.14247	5.8
180.56227	3.0
181.15834	2.9
185.13281	9.3
187.14839	9.2
189.11197	8.7
189.12671	6.8
203.12759	6.1
205.15839	5.9
213.14931	6.5
219.17471	6.6
221.15477	5.4
223.17068	3.5
227.12759	6.6
229.14371	6.0
239.17963	4.0
243.21048	5.2
253.17938	4.9
257.18988	9.5
261.22171	13.2
275.20065	41.5
277.21643	4.1
279.19791	3.8
279.23212	15.5
293.21158	14.8
294.21384	3.8
335.25815	7.8
349.23709	8.5
351.25613	3.5
353.26804	22.5
364.65814	2.9
367.24750	11.9
394.99969	3.1
433.10397	2.8
447.59760	2.8
501.96646	2.8
545.38226	4.1
645.46594	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	680.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
55.01860	4.4
55.05510	32.0
57.03438	17.8
57.07063	5.6
59.04982	1.7
65.03946	2.7
67.05504	100.0
69.03416	4.1
69.07066	38.5
69.88618	6.1
71.04990	12.0
71.08625	7.4
73.06577	1.6
77.03929	1.6
79.05490	63.5
81.03410	4.8
81.07053	82.0
83.04984	11.1
83.08619	18.9
85.06533	6.4
85.10186	1.6
91.04907	2.4
91.05481	48.6
93.07043	64.2
95.04967	7.7
95.08606	65.0
97.06530	12.4
97.10152	14.3
98.20818	1.5
99.08101	9.3
103.05472	1.3
105.04527	2.3
105.07030	40.3
107.04971	3.5
107.08592	50.0
107.09312	3.1
109.06516	8.3
109.07199	1.5
109.10155	37.8
109.10927	1.8
111.08092	9.3
113.09637	3.6
115.05473	2.3
116.07067	2.1
117.07011	14.7
119.08590	27.1
121.06487	1.9
121.10142	29.5
123.08059	5.3
123.11727	8.5
125.09625	11.6
129.07007	5.4
131.08556	22.0
133.10129	16.9
135.08049	4.9
135.11694	18.1
137.09592	4.4
137.13289	4.3
139.11169	10.6
143.08545	7.6
145.10126	21.4
147.08076	2.4
147.11688	17.0
149.09618	6.3
149.13278	8.1
151.11188	4.0
151.14697	1.9
153.09091	2.7
153.12714	2.9
155.08559	2.7
155.10652	1.8
157.10097	5.1
159.11697	12.1
161.09657	3.2
161.13246	10.2
163.11182	5.4
163.14784	5.6
165.12741	4.2
167.10632	3.2
169.10147	3.2
169.26108	1.6
171.10248	3.2
171.11700	6.2
173.11745	6.5
173.13266	10.9
175.11168	2.0
175.14842	5.3
177.12788	4.2
177.16158	1.4
179.14240	2.6
181.12175	2.2
183.11731	2.7
185.13205	8.3
187.14803	6.8
189.11195	10.8
189.12704	3.4
191.14278	2.9
195.13814	1.7
197.13239	1.9
199.14787	2.3
201.16359	3.4
203.12761	6.4
203.14299	3.2
203.18005	1.6
205.15906	4.4
209.15312	2.4
213.14732	8.2
219.17482	3.1
221.15318	3.9
227.12788	5.6
229.14291	8.5
229.19531	4.1
233.22639	1.8
235.16936	2.3
239.18025	5.1
241.14398	6.4
241.19624	1.6
243.21129	6.2
247.20601	1.9
253.17938	2.7
257.19040	9.3
259.20615	3.5
261.22144	11.9
275.20062	40.3
277.21646	6.1
279.23184	16.8
291.27280	1.4
293.21036	9.6
295.22580	3.1
309.20581	2.6
333.24240	3.1
335.25925	9.0
349.23663	9.0
351.25366	4.9
353.26880	33.1
367.24707	10.1
471.63342	1.4
627.45135	2.9
636.28137	2.4
645.46979	2.8
680.27307	1.9
681.43335	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	679.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73911	1.4
53.03944	2.6
55.01862	1.9
55.05276	1.8
55.05513	23.1
57.03444	9.6
57.07076	9.8
57.07719	1.5
60.45673	1.5
61.02931	17.8
63.20024	1.4
65.03926	2.0
66.04058	1.7
67.05505	78.4
69.03432	2.8
69.06729	2.3
69.07068	27.6
71.04980	3.5
71.08624	5.0
71.56327	1.9
73.02913	8.8
75.04462	2.1
79.05080	2.0
79.05500	27.6
81.03403	3.4
81.07056	90.9
83.04968	3.3
83.08231	1.7
83.08620	21.7
85.02905	23.1
85.06543	3.2
85.10165	4.0
91.03952	19.9
91.05479	19.6
92.37885	1.6
93.07045	25.8
95.04944	2.8
95.08606	71.8
97.02898	10.9
97.06526	6.7
97.10162	13.9
99.08086	3.1
105.07048	14.3
107.08596	18.7
109.02867	1.8
109.10158	37.0
111.08078	4.0
111.11703	5.9
113.09629	2.7
119.08569	15.3
121.10152	26.8
123.08107	1.9
123.11710	18.0
126.70997	1.6
127.03921	4.9
129.05486	2.1
133.10152	16.2
135.11685	13.6
137.09604	2.9
137.13268	11.5
139.11189	2.2
141.12717	3.3
145.04948	9.3
147.11691	11.5
149.13257	9.4
151.14803	9.4
155.14299	3.6
161.13289	16.5
163.03944	2.6
163.06044	14.8
163.14818	11.7
165.16368	8.5
175.14828	12.3
179.14233	2.7
179.17917	7.9
181.15924	2.0
189.16368	7.4
193.15898	3.1
216.84538	1.8
245.22665	64.4
263.23709	100.0
264.24121	2.5
281.24765	2.7
337.27368	73.1
338.27682	1.8
355.28253	11.4
467.71011	1.8
499.32666	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3301
Annotation	Toxiusol
Peak:m/z	Relative Intensity
51.29460	0.3
53.03945	0.8
55.01861	0.5
55.05522	1.5
56.96570	0.4
57.03431	1.5
61.02924	4.5
61.25079	0.3
65.38643	0.3
67.05194	0.3
67.05517	4.5
69.03428	2.5
69.07068	1.4
69.11678	0.3
69.39283	2.2
71.04987	0.9
73.02916	2.6
76.60751	0.3
79.05502	2.8
81.03408	1.7
81.07056	6.1
83.04973	0.9
83.08640	1.5
85.02908	4.0
85.06548	0.5
87.04508	0.3
88.76643	0.3
91.03961	2.3
91.05473	1.9
93.07043	5.2
95.04972	0.8
95.08588	1.9
97.02901	3.5
97.06530	0.9
99.04469	1.2
101.02375	2.0
105.07021	1.2
107.04968	0.4
107.08580	2.7
109.02903	0.7
109.06541	0.7
109.10165	0.4
111.08072	0.6
117.07031	1.1
119.08585	0.9
121.10162	1.7
123.08075	0.8
125.09646	0.4
127.03936	1.6
131.08577	0.7
133.10124	0.6
135.11713	1.2
145.10156	1.1
147.11774	0.5
149.13271	2.4
159.11740	1.2
163.11148	1.7
177.12750	0.4
185.04219	0.6
203.05339	0.4
209.11818	0.4
235.13084	0.6
243.08395	2.0
243.71336	0.3
249.11084	0.5
269.17496	0.8
283.15436	0.6
291.15424	0.6
369.26578	0.3
453.20993	10.0
454.31302	0.3
454.90112	0.3
465.68893	0.3
467.18817	4.8
517.27716	0.6
524.73291	0.4
559.06885	0.4
679.32990	100.0
680.33429	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.5
55.01875	7.1
55.05511	32.0
57.03438	31.4
57.07071	5.3
59.05007	2.6
60.27475	2.1
65.03939	8.2
67.05508	91.4
69.03426	3.9
69.07075	30.5
71.04991	14.4
73.42425	2.2
79.05500	94.2
81.03428	6.0
81.07065	94.9
83.04995	9.6
83.08640	18.7
85.06537	8.5
86.09735	5.2
86.69748	2.0
91.05488	76.5
93.07052	100.0
95.04984	9.9
95.08616	67.5
97.06545	11.8
97.10184	12.7
98.20096	2.3
99.08111	3.8
103.05496	2.5
105.04521	4.0
105.07037	64.2
107.04977	2.5
107.07883	3.7
107.08603	65.6
109.06540	8.9
109.10162	34.3
111.08092	12.6
115.05472	4.0
117.07031	28.1
119.07805	4.5
119.08588	48.3
121.06508	3.4
121.10143	42.1
123.08060	7.3
123.11710	7.1
125.09645	14.8
127.07425	2.9
128.06216	2.7
129.06989	13.7
130.07773	2.8
131.08557	41.0
133.10141	35.1
135.08060	7.5
135.11697	21.2
136.06226	6.0
137.09660	5.4
139.11238	5.3
141.07040	2.4
143.08632	10.9
145.10123	31.2
147.08098	2.3
147.11702	22.4
149.09654	6.8
149.13310	11.3
151.11197	2.6
155.08688	2.5
157.10159	9.5
159.11700	20.2
161.09613	2.6
161.13272	14.0
163.11189	5.5
163.14900	4.0
165.12788	2.1
167.10611	3.9
169.10081	4.6
171.11668	11.3
173.11853	3.8
173.13272	13.2
175.14842	6.0
177.12842	4.1
183.11719	3.2
184.07310	17.4
185.13208	10.4
187.14835	14.0
189.11189	4.2
189.12758	4.5
197.13190	2.5
201.16423	3.2
203.12799	4.7
203.14458	3.8
205.15895	7.9
207.13843	2.5
213.14841	5.1
219.17459	5.2
221.15378	4.4
221.19200	2.6
227.12718	3.1
229.14400	5.6
229.19487	3.4
239.18050	3.8
241.19475	6.5
257.19070	8.6
259.20593	18.2
273.18607	2.6
275.20123	41.8
277.21628	16.5
291.19547	5.0
293.21179	19.0
315.23154	2.6
333.24542	10.7
333.27814	2.4
335.25949	4.3
349.23840	7.8
351.25366	18.8
367.24860	5.8
545.38428	2.7
625.44019	5.0
643.45496	3.5
678.47632	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	678.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.2
56.05024	0.5
58.06339	0.1
58.06621	0.4
59.07392	0.2
60.08166	6.1
67.05503	0.4
70.06590	0.2
70.72232	0.4
71.07378	3.1
79.05503	0.3
81.03414	0.4
81.07045	0.3
83.04977	0.2
85.02910	0.2
86.09708	31.7
91.05473	0.4
93.07026	0.2
95.04898	0.1
95.08620	0.2
97.06528	0.1
98.98470	3.0
104.10748	2.6
105.07056	0.3
107.04951	0.1
119.08607	0.2
125.00008	21.0
131.08565	0.1
133.10143	0.3
134.48206	0.1
139.26437	0.1
147.11688	0.1
155.05612	0.1
162.93895	0.1
163.03850	0.2
164.70973	0.1
184.07346	100.0
185.07710	0.4
211.13245	0.2
281.45337	0.1
450.22214	0.2
463.27032	0.2
468.23776	0.2
481.28104	0.2
660.35028	0.3
678.36151	13.2
679.36511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01878	4.1
55.05511	5.7
57.03442	5.4
61.02911	2.2
65.03933	1.0
67.05509	20.6
69.03429	3.3
69.07073	6.8
69.35086	5.3
71.04980	2.8
73.02934	1.0
79.05498	10.9
81.03423	23.3
81.06591	1.4
81.07059	21.5
83.04990	8.9
83.08629	8.7
85.02913	9.0
85.06544	2.1
86.09676	1.3
91.05485	21.1
93.07048	11.1
95.04967	10.8
95.08621	4.8
95.28992	0.7
97.02886	2.9
97.06564	4.4
97.10171	0.9
98.20708	1.2
99.04461	2.1
99.08072	0.9
105.07039	17.3
107.04950	2.4
107.08597	15.1
109.06504	4.1
109.10162	27.5
111.04421	1.0
111.08083	4.0
113.05979	1.6
117.07014	1.8
118.03269	0.7
119.08588	6.8
121.10139	2.8
123.08087	1.5
123.11721	5.4
124.99965	1.3
125.09631	1.4
127.07589	1.8
128.06177	0.6
129.07013	4.4
131.08607	3.5
133.06464	0.7
133.10138	43.7
135.04854	0.6
135.08029	1.0
135.11699	1.2
137.09669	0.7
142.07735	1.3
145.10121	1.1
147.08009	1.4
147.11668	5.0
149.09627	2.2
151.11183	17.4
157.10158	5.3
161.09624	1.2
163.03937	1.3
163.11192	1.2
165.12723	1.2
169.12244	2.8
171.11707	0.7
175.11195	5.6
179.10667	1.2
184.07317	4.1
193.12257	17.3
211.13303	32.9
215.12733	1.4
219.09578	0.7
227.12680	0.7
229.14320	1.0
253.14368	100.0
254.14667	1.4
255.15831	1.0
267.15939	9.6
269.12161	0.9
271.15405	20.9
283.15460	1.5
285.16992	23.5
445.25900	6.2
463.27005	18.0
481.28000	62.4
482.28351	2.0
616.27673	0.7
657.20984	0.7
678.32227	1.4
679.33063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.39
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
51.77184	0.9
53.03936	3.3
55.01863	2.5
55.05267	1.1
55.05514	16.4
57.03440	14.1
57.07065	1.1
61.02935	3.8
65.03933	1.4
67.05505	42.2
69.03419	3.2
69.07068	16.4
69.18156	5.6
69.18583	3.0
71.04964	4.2
73.02939	1.1
75.68195	0.8
79.05492	31.2
81.03418	47.9
81.07053	54.0
83.04977	12.8
83.08617	28.1
85.02908	17.1
85.06535	2.8
91.03965	1.8
91.05479	28.8
93.07043	44.4
94.53919	0.9
95.04974	21.9
95.08607	14.8
97.02905	4.3
97.06529	8.0
97.10166	3.3
98.21510	2.2
99.04447	0.9
99.08092	3.5
105.07027	16.6
107.04964	5.1
107.08591	20.5
109.06518	4.3
109.10130	4.2
111.04430	2.8
111.08074	12.6
113.06031	2.1
115.05410	1.2
117.07018	5.6
117.91190	0.9
119.08572	14.6
119.09356	1.1
121.06503	2.4
121.09324	1.5
121.10152	18.5
123.08093	1.5
123.11680	2.0
127.07546	0.8
129.07021	6.4
131.08583	13.0
133.06522	2.0
133.10130	10.1
135.08058	1.2
135.11685	4.4
137.09608	1.7
139.11137	0.8
142.07761	1.8
145.10138	1.2
147.08043	2.9
147.11676	13.1
149.09575	4.8
149.13257	20.0
151.11197	0.8
154.17078	0.8
154.37511	0.8
157.10115	12.5
159.11691	7.9
163.11261	0.9
165.12764	2.5
175.11203	12.6
177.12766	3.4
193.10477	1.3
193.12248	33.2
195.13777	6.4
211.13287	45.4
249.14932	0.9
267.15909	32.8
268.16299	0.8
269.17480	68.4
270.17920	1.3
285.16959	34.2
435.27066	1.9
443.28094	0.9
444.57007	1.1
459.28735	0.9
461.28998	73.5
462.29285	2.6
479.30038	100.0
480.30276	3.3
623.34052	1.2
676.26581	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	676.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
53.50303	0.8
55.01860	1.4
55.05506	3.7
55.70594	0.9
57.03436	4.7
58.06591	1.1
59.37238	0.8
61.02926	8.5
67.05511	7.1
69.03410	3.4
69.07053	2.1
69.90527	4.6
71.04974	2.0
73.02907	3.8
73.51565	0.8
74.42405	0.8
75.04496	1.5
79.05502	8.5
81.03422	81.8
81.07064	7.3
83.04984	4.4
83.08619	20.9
85.02914	11.1
91.03963	7.4
91.05479	10.6
93.07040	5.7
95.04971	26.6
95.08592	1.7
97.02894	7.6
97.06531	3.5
97.10165	1.2
97.16342	0.8
98.20761	1.4
98.97574	1.4
99.04464	1.3
105.07045	7.9
107.04961	6.6
107.08619	3.2
109.02890	1.9
109.06506	2.5
109.10133	1.3
111.04450	2.4
111.08086	10.1
115.05486	1.4
117.06988	1.3
119.04899	1.6
119.08595	9.1
121.02733	0.8
121.06516	2.1
121.10144	5.2
123.04422	3.1
123.08088	1.8
125.09632	1.4
127.03884	2.7
129.07005	6.4
131.08563	7.7
133.06514	2.0
133.10127	3.7
137.09610	1.2
145.04959	4.0
145.10100	1.7
147.04413	3.6
147.08061	3.2
147.11688	7.6
149.09659	5.5
157.10126	13.6
161.06038	1.1
163.05981	5.7
163.11189	2.2
165.12762	2.2
175.03922	1.1
175.11206	16.2
177.05502	1.2
189.05432	1.8
189.12697	1.4
193.12257	76.9
194.12593	1.6
207.06496	1.3
207.13861	1.9
208.06972	1.2
211.13240	7.0
225.07695	1.4
235.13298	5.3
239.11702	1.1
249.14886	1.3
259.09756	1.9
259.13345	2.1
267.15927	46.8
273.14816	1.8
274.29092	0.9
285.16971	100.0
286.17175	1.2
301.14423	2.2
308.64542	0.9
309.16995	20.1
327.17886	1.9
351.18011	2.9
363.18018	5.0
375.17831	4.6
393.19128	3.2
411.20032	3.3
429.21237	13.6
495.91098	1.1
535.19006	1.6
591.25488	1.5
620.38568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01861	1.2
55.05502	2.9
56.96523	0.9
57.03427	2.6
60.30201	0.7
61.02927	6.6
63.05723	0.7
67.05505	6.0
67.75652	0.8
69.03419	2.7
69.07050	1.7
69.21124	6.8
70.06577	2.5
71.04980	2.0
73.02914	2.1
79.05500	4.2
81.03420	63.2
81.07059	5.0
83.04974	2.6
83.08156	1.0
83.08621	15.4
85.02914	9.5
90.49208	0.7
91.03960	6.2
91.05482	6.5
93.07037	3.7
95.04973	20.4
95.08591	2.0
97.02895	5.9
97.06509	2.9
98.06898	0.7
105.07013	4.9
107.04955	4.9
107.08597	3.0
109.02866	0.8
109.06522	1.8
109.10183	0.9
111.04439	1.7
111.08085	7.6
119.04913	0.9
119.08579	5.6
121.06495	1.8
121.10133	3.7
123.04375	1.5
127.03915	2.1
129.07024	5.4
131.08560	5.3
133.06493	1.3
133.10095	4.0
135.08099	0.8
142.07755	0.8
145.04939	3.1
145.10097	1.4
147.04384	1.8
147.08020	2.4
147.11722	5.6
149.09647	4.2
149.22920	0.8
154.41650	0.7
157.10127	7.4
163.06039	5.3
163.11232	1.5
165.12781	1.2
175.11186	10.1
181.04994	0.9
189.05438	1.5
193.12247	57.0
211.13264	3.8
217.12169	1.3
224.37044	0.8
226.08012	0.8
235.13295	2.5
259.09586	1.1
259.13422	1.6
267.15933	28.7
273.14758	0.9
285.16968	100.0
286.17285	1.9
287.05524	5.0
288.05832	1.1
299.18567	1.8
301.14218	1.3
309.16977	15.3
313.12106	1.0
327.17969	3.6
345.04684	1.3
351.18097	3.4
363.18054	4.7
375.18018	2.7
393.19153	3.7
411.20233	2.2
429.21249	1.6
471.07324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85880	0.5
55.01871	4.6
55.05511	11.3
57.03194	0.8
57.03440	9.5
57.07066	1.6
59.04991	1.3
61.02919	2.0
65.03926	1.0
67.05507	26.9
69.03427	1.6
69.07066	10.6
71.01359	0.7
71.04982	3.5
73.02952	1.2
79.05498	21.6
81.03424	6.3
81.07058	36.5
83.01347	4.7
83.04984	7.5
83.08621	9.9
85.02899	4.3
85.06539	1.8
91.03960	0.8
91.05484	11.7
93.07047	33.4
95.04961	4.0
95.08611	11.3
97.02896	2.4
97.06526	7.5
97.10144	1.5
98.20750	1.3
99.04485	0.9
99.08090	1.5
101.70094	0.6
105.07028	6.6
107.04975	3.6
107.08600	18.8
109.06528	4.3
109.10167	1.7
111.04430	1.6
111.08083	3.9
111.11763	0.6
117.07011	6.9
119.08584	4.3
121.06496	2.7
121.10140	12.0
123.08077	4.0
125.09693	0.6
127.03918	0.8
127.37097	0.5
129.06995	0.8
131.08569	5.1
133.10127	4.7
135.08081	1.7
135.11684	9.6
137.09599	0.6
143.08569	0.8
143.92709	0.6
145.10138	8.4
147.04457	0.9
147.08144	0.6
147.11678	1.2
149.02362	2.4
149.09641	1.0
149.13252	15.2
153.12755	2.0
159.11670	5.7
163.11179	12.8
173.09628	1.6
174.12836	0.5
177.12737	3.2
181.12218	1.5
186.61139	0.6
191.10698	1.7
193.04973	1.5
195.13800	4.6
209.11703	2.5
213.14844	0.7
227.12779	2.3
228.23341	1.7
229.11433	0.6
254.30675	0.7
265.14395	1.1
267.15945	0.9
269.17480	63.5
270.17947	0.8
283.15405	37.4
348.65405	0.7
385.09323	0.8
428.28104	0.6
459.27567	3.2
477.28494	100.0
478.28873	1.6
621.33063	0.7
674.35992	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	674.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01867	4.8
55.05512	17.2
55.15541	1.5
57.03444	13.0
60.62528	1.5
61.02925	2.2
65.03934	1.7
66.10962	1.7
67.05506	25.6
69.03428	12.0
69.07059	9.3
70.59590	4.2
71.01333	1.8
71.04995	6.3
79.05486	31.7
81.03416	100.0
81.07053	34.2
83.04978	23.8
83.08618	30.6
85.02901	23.5
85.06545	3.7
91.05481	41.2
93.07040	25.8
95.04969	27.5
95.08609	12.4
97.02901	18.2
97.06527	8.7
97.10158	6.6
99.04451	2.9
105.07035	28.8
107.04958	11.5
107.08590	12.8
109.02892	8.7
109.06503	5.9
109.10156	5.8
111.04470	8.8
111.08097	10.5
113.06003	3.1
115.05453	2.5
117.07038	3.2
119.04879	2.6
119.08577	25.2
121.06501	2.8
121.10139	15.4
123.08063	2.8
123.11692	3.0
125.09646	2.6
127.03886	8.3
129.05481	3.1
129.07019	14.8
131.08569	15.1
133.06497	4.5
133.10146	17.9
135.04419	1.4
135.11682	1.9
137.09592	2.2
142.07822	4.2
145.05072	1.4
145.10120	6.7
145.17039	1.6
147.08067	4.6
147.11661	21.7
149.05971	1.4
149.09593	8.9
151.11131	1.6
157.10126	18.9
163.11159	3.3
165.12766	6.6
173.04466	2.9
173.09573	2.2
175.11197	17.1
181.12247	3.3
185.62079	1.4
191.10703	1.7
193.10471	2.9
193.12244	60.0
211.13287	72.4
227.12784	4.5
229.14325	2.0
267.15924	38.7
269.17722	1.9
283.15518	3.7
285.16959	59.6
319.15390	2.7
337.16089	3.0
355.17581	3.0
367.22656	3.4
384.77966	1.7
385.23700	5.1
393.19156	1.9
411.19901	4.7
429.21228	19.9
459.27414	34.7
477.28494	50.0
495.29514	50.7
557.30756	1.9
603.31714	4.3
621.32416	9.3
639.33612	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.0
54.34758	2.3
55.01864	8.5
55.05512	31.5
57.03440	20.1
57.07064	2.7
61.02912	6.0
61.10464	2.1
65.03945	4.6
67.05508	74.5
69.03439	19.5
69.07077	14.1
70.06586	4.3
71.01344	2.3
71.04987	10.2
71.55812	3.8
73.02900	7.0
77.03942	2.9
79.05495	52.0
81.03420	100.0
81.07059	54.9
83.04983	39.9
83.08219	2.6
83.08628	28.6
85.02904	29.4
85.06544	7.3
87.04463	3.7
87.61650	2.3
91.05486	50.7
93.07047	42.1
95.04974	37.6
95.08607	20.9
97.02899	25.3
97.06538	25.0
97.10181	15.1
98.97536	3.3
99.04421	8.3
105.07039	26.6
107.04948	27.3
107.08595	29.0
108.08905	2.2
109.02857	16.8
109.06503	6.8
109.10153	38.1
111.04466	25.7
111.08070	13.2
113.06038	3.1
115.03996	2.5
115.05455	3.0
117.03337	2.1
117.07017	15.7
119.04931	3.8
119.08581	32.5
121.06513	8.5
121.10152	30.0
123.04424	7.5
123.08026	3.9
123.11697	4.2
125.05999	2.5
125.09616	12.6
127.03928	13.8
128.06194	2.5
129.05444	7.3
129.07011	15.6
131.08594	21.0
133.06488	7.4
133.10153	15.0
135.08070	4.3
135.11690	21.1
137.05910	2.9
137.09644	3.9
139.11159	2.5
141.06880	2.4
142.07782	3.4
145.06453	7.2
145.10144	34.0
147.04317	2.7
147.08080	5.5
147.11678	20.0
149.09630	13.2
153.12749	9.1
155.08554	6.6
155.10605	2.8
157.10127	16.1
159.11642	2.9
161.05992	2.9
161.09665	2.6
163.03836	3.9
163.11191	23.4
165.12741	6.0
168.53787	2.2
171.11697	2.6
173.04475	3.8
173.09621	15.9
173.11714	5.6
175.11208	12.6
177.05531	3.6
181.03215	2.5
181.12196	10.3
187.11137	2.5
189.05463	4.1
189.11209	3.5
191.10645	20.3
193.12254	36.3
209.11761	14.8
211.13286	52.2
214.52812	2.4
227.12805	20.1
229.14276	15.2
235.13222	2.6
258.24069	2.2
259.09744	2.8
259.15610	3.0
265.14337	47.8
267.09302	4.6
267.15942	23.0
283.12924	2.7
283.15466	34.8
284.15649	2.5
285.10056	4.0
285.17041	11.5
287.05432	6.3
301.16629	32.1
303.92691	2.5
309.17126	4.0
311.12741	3.5
324.38159	2.8
349.23972	2.4
355.17386	3.7
376.31497	2.5
421.25604	2.8
429.21085	9.4
439.26572	10.9
454.19385	4.6
457.25912	9.6
461.28104	4.5
472.42929	2.8
473.55243	2.6
475.27029	32.5
493.27951	30.4
511.28940	10.5
583.29968	4.4
619.30786	7.9
637.32141	18.8
655.33514	23.7
673.34009	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	673.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.4
55.01871	9.7
55.05515	21.1
57.03439	21.0
57.07067	1.8
59.05001	2.9
61.02917	3.3
61.86183	1.5
65.03947	4.3
67.05506	69.7
69.03429	23.7
69.07071	6.8
71.01357	3.6
71.04993	9.0
73.02919	24.2
79.05497	30.7
81.03423	68.4
81.07059	28.0
83.04976	19.5
83.08619	21.9
85.02909	43.2
85.06541	3.5
87.04443	2.0
91.05483	22.9
93.03432	1.4
93.07047	14.8
95.04976	23.4
95.08611	10.6
97.02898	18.1
97.06544	8.8
97.10165	6.7
99.04446	5.3
101.02359	2.6
102.03859	1.4
103.03938	2.4
105.07040	16.7
107.04964	17.3
107.08590	6.5
108.05239	1.7
109.02889	9.8
109.06503	4.0
109.10162	57.6
111.04453	9.2
111.08077	13.4
113.06033	2.8
115.05466	1.6
116.04718	2.2
117.07000	2.0
119.08582	16.2
121.02793	1.5
121.06502	2.4
121.10104	8.1
123.04438	3.0
123.08054	2.5
123.11751	2.4
125.05947	2.1
125.09627	4.4
127.03887	9.4
129.05473	5.8
129.07028	9.1
131.03413	4.9
131.08537	7.0
133.06454	2.4
133.10124	6.7
135.04410	10.7
135.11742	3.0
137.05975	1.9
137.09619	4.7
142.07784	2.0
143.08533	1.6
145.04916	2.2
145.10139	2.5
147.08040	4.3
147.11705	12.2
149.09622	5.2
149.33240	1.6
152.00914	1.6
153.05515	4.4
155.10661	6.4
157.08864	2.6
157.10068	12.5
163.03882	2.6
163.11147	3.6
165.12740	2.8
173.04422	2.8
173.11731	12.3
175.11205	11.0
181.04965	2.8
193.12247	33.8
199.06036	4.6
199.13361	2.5
209.11784	3.5
211.13284	49.2
212.13814	1.3
217.07092	6.3
227.12798	2.7
229.14359	52.1
235.13145	1.7
249.15013	1.7
267.15930	19.0
283.15305	4.2
285.16998	28.1
301.16458	6.5
413.17999	2.6
421.25830	17.1
429.21371	1.9
439.26947	100.0
440.27411	2.1
465.41492	1.5
475.26801	1.8
493.28012	3.3
494.27954	1.7
501.22769	2.0
511.29233	2.7
655.32788	3.6
673.34155	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	672.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01873	6.3
55.05517	11.7
57.03439	14.2
59.05008	2.1
61.02924	3.8
67.05505	16.4
69.03413	4.4
69.07053	3.5
69.78494	7.5
71.01340	1.3
71.04980	2.0
73.02908	1.2
77.29871	1.0
79.05489	16.9
80.08360	1.2
81.03416	56.7
81.07052	14.1
83.01345	3.2
83.04969	8.5
83.08614	12.7
85.02910	7.4
91.03936	2.9
91.05470	16.0
93.07046	17.3
95.04964	20.7
95.08627	6.7
97.02881	4.1
97.06532	3.5
97.10160	6.2
99.04449	2.3
105.07018	10.9
107.04955	9.0
107.08587	10.3
109.06517	4.6
109.10155	3.4
111.04425	3.0
111.08075	4.1
117.07011	5.6
119.08556	14.1
121.06483	3.4
121.10128	6.7
123.04436	2.4
123.08062	4.9
125.09638	5.1
127.03902	1.3
129.07007	6.5
131.08527	9.4
133.06485	2.7
133.10139	3.2
135.08058	1.8
135.11703	6.3
137.09657	1.5
143.08583	2.1
145.06519	2.1
145.10110	9.9
147.08083	4.8
147.11691	4.3
149.09605	2.9
153.12750	3.7
154.80899	1.2
157.10074	6.5
161.05968	2.6
163.11203	12.5
173.09729	2.7
175.11133	4.5
181.12257	2.0
189.11238	2.9
191.10742	2.1
193.12233	13.0
209.11749	2.0
227.12820	3.4
229.64471	1.3
231.13889	1.4
249.14914	1.7
267.15912	44.1
273.14789	1.8
283.15372	31.4
289.14484	2.3
355.22672	2.0
365.21069	3.4
383.22211	19.8
398.06512	1.4
401.23392	8.3
403.20938	1.5
419.24158	2.8
439.25064	1.7
457.25818	29.5
475.26913	100.0
493.28085	6.8
511.55939	1.5
517.28387	2.1
571.29065	1.5
672.33533	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01856	4.2
55.05508	23.6
57.03426	6.9
57.07076	12.9
59.88659	2.2
61.02932	2.9
65.03935	2.8
67.05502	27.4
68.24025	1.9
69.03425	14.1
69.07067	59.8
69.27711	16.0
69.28118	4.1
70.06592	4.7
70.90407	1.9
71.01368	2.2
71.04990	6.2
71.08619	9.6
73.02926	4.3
79.05486	15.9
81.03425	15.8
81.07055	93.6
83.04994	3.5
83.08616	37.2
85.02902	43.5
85.06530	8.2
85.10186	3.6
87.04475	4.4
88.80885	2.2
89.03881	2.6
91.05477	15.7
93.07052	29.7
95.04963	10.5
95.08606	100.0
97.02882	15.2
97.06541	8.4
97.10168	26.8
99.08087	7.6
103.05467	2.6
105.07020	9.5
107.04941	6.3
107.08591	26.0
109.02861	9.2
109.10159	64.0
111.04433	4.5
111.08065	7.9
111.11736	22.5
113.09616	2.8
114.34451	2.2
117.03352	2.7
119.04958	3.8
119.08566	8.1
120.08138	2.7
121.06435	3.1
121.10147	15.8
123.04366	2.7
123.08031	3.8
123.11713	41.1
125.09679	4.2
125.13284	15.3
127.03924	12.2
127.11232	2.3
131.04936	12.6
131.08543	5.5
133.10121	4.2
135.08087	3.2
135.11693	12.7
136.07574	8.7
137.05977	5.8
137.07916	2.9
137.13240	32.2
139.14825	3.8
143.14331	3.4
145.02887	5.9
145.04930	11.6
145.10072	3.6
146.06020	4.4
147.04408	5.0
147.07990	2.6
147.11662	2.9
149.06007	2.6
149.13261	38.3
151.07538	3.2
151.14804	18.9
155.14297	7.6
157.15915	2.9
161.05978	2.8
162.05484	5.3
163.03926	10.7
163.06099	6.3
163.11221	3.1
163.14783	11.0
164.07068	5.3
165.16399	10.6
167.07068	3.9
167.14304	22.5
169.15855	8.1
175.03764	2.9
177.05428	11.9
177.16466	5.0
178.05832	4.6
179.17949	6.6
183.17546	3.6
189.05435	4.7
193.19554	6.0
205.19452	3.2
207.06535	3.1
209.08232	2.3
209.11732	5.2
215.07083	2.7
219.21123	5.6
223.20773	2.9
237.22057	3.4
239.06807	2.2
249.25687	2.8
250.16531	2.8
259.09686	5.4
267.09082	3.7
275.27365	21.0
281.28366	6.7
285.09918	3.8
293.28375	53.5
293.31424	2.0
311.29431	23.7
325.11417	4.3
329.30472	6.9
470.85559	2.6
627.29889	4.4
636.26721	5.3
653.25677	8.4
654.28229	14.1
671.28357	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	671.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00328	1.2
53.03933	3.0
55.01867	1.5
55.05511	21.1
56.96561	2.2
57.03424	3.1
57.07074	13.7
61.02915	2.8
67.05505	30.9
69.03428	8.6
69.07067	64.4
71.01361	1.2
71.04979	2.8
71.08622	6.6
71.29123	1.5
72.08160	1.4
73.02914	1.7
74.54879	1.2
79.05485	11.2
81.03403	8.3
81.07056	100.0
83.04999	1.8
83.08162	2.5
83.08621	38.1
85.02905	35.3
85.06539	10.2
85.10165	2.3
86.09688	2.3
91.03948	2.2
91.05478	7.6
93.07045	21.2
95.04967	2.3
95.08607	94.2
95.20827	1.3
96.08942	1.5
97.02884	14.7
97.06518	5.8
97.10173	24.3
99.04455	3.0
99.08080	10.2
105.07011	5.5
107.04955	4.1
107.08599	25.1
109.02858	4.7
109.06467	1.7
109.10156	66.3
111.08091	6.0
111.11720	26.8
113.09637	3.0
115.03865	1.4
115.05505	1.3
117.03441	1.2
119.08563	4.1
121.06487	2.6
121.10140	17.7
123.11706	45.6
125.09613	3.6
125.13267	18.8
127.03928	7.4
127.11246	1.4
128.18472	1.4
129.06985	1.4
131.08513	2.0
133.06444	1.4
133.10080	2.7
135.04410	3.1
135.08096	2.0
135.11711	14.2
136.07573	1.4
137.05965	3.2
137.09607	1.5
137.13255	34.7
139.11177	1.7
139.14763	4.8
141.09081	1.6
141.12669	1.4
143.00174	1.2
145.02826	2.0
145.04962	13.6
145.10156	3.1
147.04366	3.9
147.11678	2.7
148.11217	3.9
149.05937	2.4
149.09648	1.7
149.13260	37.9
151.03867	1.7
151.14824	14.0
153.12741	2.5
155.14284	8.8
157.15788	1.7
159.11771	1.2
161.13258	2.2
163.03946	6.5
163.05981	7.3
163.11142	1.6
163.14816	11.9
165.09076	6.6
165.16406	10.3
167.14334	20.2
169.15871	4.2
173.05861	1.5
177.05469	5.8
177.16299	6.1
179.17946	9.9
181.15906	1.6
183.17415	2.6
189.05394	4.4
191.17867	2.2
193.19527	7.0
197.18971	2.1
205.19511	2.4
207.06427	1.5
207.21045	1.8
219.21016	4.9
249.25668	4.8
259.09509	2.4
263.27304	3.1
267.09015	2.3
275.27316	25.9
281.28357	4.6
285.09909	1.9
293.28375	72.5
294.28674	1.6
311.29462	28.2
325.11127	5.7
329.30548	2.2
333.11768	1.4
346.00229	1.6
357.71552	1.4
399.34457	1.6
437.32587	2.6
446.17990	2.3
455.33347	1.3
459.27051	2.3
462.52264	1.3
473.34521	2.0
477.28473	1.7
633.09668	1.5
671.28241	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	671.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.5
55.01876	9.7
55.05267	3.1
55.05513	33.2
57.03438	12.7
57.07079	2.0
59.04993	2.7
61.02917	2.3
67.05507	47.5
69.03411	14.9
69.07061	11.4
71.04998	12.3
71.55466	1.8
71.55863	2.7
73.02900	2.7
79.05495	46.9
81.03420	68.3
81.07055	40.8
83.04982	20.7
83.08620	27.7
83.09074	3.2
85.02903	12.3
85.06536	2.1
91.05479	33.9
93.07045	38.1
95.04972	28.4
95.08600	15.3
97.02893	14.2
97.06521	8.2
97.10168	25.2
99.04428	4.0
105.07030	22.7
107.04967	22.5
107.08611	24.9
109.02894	10.8
109.06524	13.8
109.10160	17.5
111.04443	8.0
111.08080	5.0
115.05488	2.3
117.07032	10.3
119.08575	20.0
121.06521	14.4
121.10140	19.3
123.08075	7.7
123.11703	4.2
125.06010	2.9
125.09640	23.0
127.03957	8.7
127.04747	2.0
129.05475	5.2
129.07014	12.2
131.04854	2.6
131.08563	16.7
133.06503	5.2
133.10114	11.9
135.04388	2.6
135.08055	6.8
135.11696	8.3
137.06081	2.1
137.09615	2.1
139.11218	1.9
141.06996	3.5
143.08578	7.7
145.06441	6.3
145.10146	12.3
147.04379	3.0
147.08063	6.2
147.11679	10.1
149.09639	8.9
153.09160	5.3
153.12701	5.0
155.08600	2.3
157.06516	3.0
157.10150	11.0
159.08034	6.6
159.11728	3.2
161.06000	3.9
161.09647	4.6
163.03880	3.8
163.11183	7.7
165.12729	3.0
169.10097	3.2
171.08069	3.5
171.10252	2.2
171.11671	4.7
173.04466	6.5
173.09645	6.5
173.11865	2.5
175.11203	8.1
177.12817	2.1
181.12222	2.8
183.08136	2.0
183.11696	3.8
185.09685	2.0
185.13402	2.8
187.11148	2.1
189.11269	8.4
191.10794	3.4
193.12238	22.4
195.11755	3.4
197.13318	2.0
199.13187	1.9
205.15997	2.1
209.11694	4.5
211.13222	12.7
215.14279	2.1
219.13832	5.6
227.12755	16.4
229.07347	2.0
229.14354	5.3
231.13641	2.0
233.15337	11.4
237.12602	2.2
237.14883	2.5
249.14917	5.7
255.13625	3.1
258.10019	2.0
259.13123	2.3
267.15936	34.5
273.14621	9.3
283.15436	6.9
285.17017	2.2
293.17584	3.4
319.15604	2.0
339.23224	3.2
349.21600	5.8
357.24139	3.0
367.22641	26.0
385.23752	32.1
396.09464	1.9
403.24750	11.5
411.19846	2.4
429.21777	2.0
435.27386	1.9
437.25278	3.4
441.26175	11.5
447.82449	1.9
459.27438	100.0
477.28442	97.2
478.28473	3.4
491.30508	19.4
501.28253	2.4
509.31409	16.6
527.32330	2.4
603.31305	2.4
621.32599	10.6
653.34119	7.2
671.32800	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	669.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24296	0.4
54.99958	0.4
55.05506	0.8
57.03429	1.6
57.07077	2.4
57.07304	0.5
61.02928	3.9
67.05502	5.5
69.03417	1.6
69.07047	1.3
69.71361	0.4
71.05016	0.8
71.08640	2.1
71.56150	0.6
73.02909	2.8
81.03411	1.7
81.07050	1.9
83.08615	1.2
85.02918	3.7
85.10179	0.7
91.03942	3.2
95.08610	1.7
97.02895	3.8
97.10188	0.5
99.04465	0.5
101.02377	1.8
109.02890	1.1
109.10151	6.9
115.03943	0.5
123.11682	0.5
127.03920	1.7
142.54068	0.4
143.59001	0.5
173.11758	1.3
183.69547	0.5
185.04265	1.1
195.09875	0.7
200.99176	0.4
203.05339	0.7
229.14389	1.5
243.08464	2.1
313.27390	1.0
413.17816	8.8
413.23108	0.7
461.99515	0.4
497.30884	4.8
542.90869	0.5
556.53534	0.6
589.58417	0.5
665.33429	0.4
669.41791	100.0
670.41846	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
55.01867	2.5
57.03444	3.2
58.08060	1.7
58.82478	1.7
61.02917	4.2
63.98128	1.5
67.05526	1.9
68.98286	2.7
69.03439	12.1
71.54693	1.6
72.57330	1.6
73.02900	5.6
75.24616	1.5
79.05495	6.3
81.03395	1.9
82.99846	2.3
84.68338	1.6
85.02422	3.2
85.02898	26.9
87.04430	2.3
91.03963	3.1
91.05486	15.0
92.05786	1.8
95.04980	2.9
97.02879	10.4
99.04464	2.0
101.00271	3.0
101.00883	29.5
104.07150	2.1
105.03345	2.0
107.04987	2.3
108.89318	1.8
109.02885	3.1
110.33273	1.7
113.00883	5.0
115.02455	2.1
119.01923	28.7
119.04952	20.0
121.02803	2.3
123.04440	1.9
127.02422	5.4
127.03931	12.7
129.00331	2.2
129.03294	2.7
131.01941	8.8
131.04913	4.1
133.03456	3.1
135.04361	3.0
139.02393	4.7
143.01898	85.8
144.02011	2.8
145.03552	14.9
145.04932	9.9
147.01308	3.2
147.04410	28.4
155.01884	18.9
156.02509	1.9
157.01610	2.5
157.03467	19.3
161.02953	79.9
161.05959	6.9
163.02591	2.5
163.03868	2.2
165.05453	5.7
167.01892	5.8
169.03473	3.5
173.02982	20.3
175.04068	14.3
177.05444	4.4
179.07053	3.0
180.07417	1.8
181.03499	10.1
183.01393	4.7
183.05031	4.9
184.04533	3.0
185.02959	14.3
186.03098	2.6
187.02673	2.4
188.22328	1.9
189.03967	4.7
189.05476	45.9
190.05777	3.7
193.03409	3.8
193.04984	4.4
195.05106	2.6
197.02930	4.5
203.04027	31.0
205.03485	8.6
205.05542	9.4
207.04832	9.2
207.06644	18.7
208.06877	2.1
209.02832	2.4
211.06068	2.4
213.02477	2.1
215.01979	4.0
215.04065	2.9
217.03450	3.3
221.02992	4.5
221.05052	14.6
221.06749	2.2
223.04524	11.7
223.06653	10.2
225.07695	16.0
226.08003	3.0
227.04005	4.6
229.03520	3.2
231.03366	11.5
233.02953	22.3
235.04573	9.1
237.06001	5.7
239.03709	1.8
241.03394	2.0
241.07738	2.9
245.02803	3.3
245.05029	23.2
246.05275	10.7
247.04527	20.8
247.06615	2.3
249.04333	3.2
251.03946	7.2
251.06186	3.1
253.05673	3.4
257.02887	32.8
257.05124	3.5
259.04590	4.3
261.06113	4.9
263.06119	5.9
264.07678	9.2
264.57675	8.8
265.05469	11.0
265.07800	68.8
269.02921	4.8
273.04559	13.1
273.08051	4.4
273.58279	5.3
273.81342	2.1
275.03903	15.6
277.05463	2.7
283.06757	2.5
286.07776	5.9
286.57947	5.0
287.06125	10.2
289.05621	12.7
293.05069	6.8
295.78854	1.9
301.05533	2.2
305.07571	9.3
306.07300	6.1
307.06531	24.8
308.50021	2.1
311.06192	2.6
317.05139	5.8
319.06723	3.1
325.07785	9.1
331.06677	6.8
337.07858	1.9
347.06229	2.2
349.03714	2.4
349.07721	29.5
355.11163	2.6
359.06076	6.3
367.11081	10.9
376.11005	1.9
377.07053	7.2
379.08621	5.1
385.61838	4.2
391.08752	3.9
395.08176	15.1
407.10532	2.1
407.95126	2.3
409.09879	14.2
425.11276	1.9
426.11932	4.1
427.10980	14.8
445.11926	14.6
447.13336	9.9
469.11990	9.0
487.12994	100.0
488.13010	2.2
529.14099	7.7
609.18390	7.8
683.52100	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.1
57.07072	0.7
59.59195	0.8
59.87529	0.6
67.05513	4.4
69.07068	1.5
70.59970	2.1
79.05505	2.8
79.05923	0.6
81.07067	4.0
83.08622	0.8
85.07558	0.6
91.02485	0.6
91.05504	2.0
93.07047	2.8
95.08597	2.5
97.69212	0.7
105.07041	1.9
107.08581	0.8
109.10176	1.1
171.11717	1.1
238.60852	0.7
247.13028	1.0
309.14264	0.7
333.20386	10.4
335.25726	0.8
389.23227	4.4
396.58054	0.6
420.58630	0.7
555.35608	0.8
667.45453	100.0
668.45587	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	667.3301
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
53.03950	0.6
55.01878	0.5
55.05505	1.2
57.03436	1.9
61.02932	3.2
67.05509	3.8
69.03442	2.3
69.07066	0.9
69.97100	1.0
71.01304	0.3
71.04996	0.8
73.02925	2.4
79.05489	3.0
81.03421	4.3
81.07069	2.8
83.04987	1.2
83.08611	1.1
85.02908	4.6
91.03938	2.4
91.05482	2.8
93.07045	3.0
95.04994	1.4
95.08606	1.1
97.02888	3.3
97.06522	0.9
97.10166	0.8
99.04456	0.6
101.02370	1.5
102.85178	0.3
105.07019	1.8
107.08601	2.1
109.02888	1.0
109.06509	0.5
109.10174	0.8
111.04488	0.4
117.06991	0.6
119.08567	1.8
121.10159	1.2
123.08106	0.5
127.03899	0.9
129.07033	0.6
131.08517	0.7
133.10124	0.9
135.08067	0.7
135.11679	2.9
145.10124	0.8
147.11703	1.5
148.11269	0.5
149.09590	0.6
157.10159	0.8
163.11238	1.0
175.11179	0.9
181.12393	0.7
184.80296	0.3
185.04272	0.5
189.05559	0.6
191.79057	0.4
193.12260	1.5
211.13304	0.8
221.11522	1.1
243.08363	1.7
251.12560	0.8
277.14172	0.8
285.16916	0.4
307.15131	0.4
439.13965	0.7
439.19412	5.5
469.20490	8.2
667.32983	100.0
668.33484	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.6
53.03746	0.7
53.03947	6.7
55.01877	3.7
55.05512	16.1
57.03438	8.4
57.07078	38.4
59.75688	0.7
65.03960	1.4
67.05506	28.4
67.06276	0.9
69.03088	1.2
69.03432	14.1
69.07069	13.1
70.20784	2.8
71.04990	6.0
71.08633	25.4
73.02904	0.8
79.05493	15.8
80.36604	0.8
81.03420	77.6
81.07059	34.3
83.04984	13.1
83.08624	20.7
85.02911	11.2
85.06551	1.0
85.10186	12.8
91.04908	1.2
91.05482	22.0
93.07049	11.6
95.04971	16.0
95.08608	27.8
97.02898	19.7
97.06534	3.9
97.10163	7.0
99.04459	5.4
99.08099	1.3
99.11768	0.9
100.05268	0.8
103.05479	0.8
105.07035	14.2
107.04953	5.8
107.08607	5.8
109.02885	16.5
109.03603	1.3
109.06531	2.6
109.10159	11.1
111.04453	9.3
111.08067	5.3
111.11716	0.8
115.05463	1.7
117.07024	3.2
119.08588	12.0
121.06509	2.1
121.10143	6.6
123.04459	2.8
123.08080	0.9
123.11712	6.4
125.09644	1.0
127.03912	12.7
128.06252	1.2
129.05533	1.3
129.07024	7.9
131.08572	8.1
133.06500	3.4
133.10147	7.7
135.08051	1.3
135.11710	2.9
137.05968	1.5
137.09593	0.9
137.13274	1.6
140.52570	1.0
141.07085	0.8
143.08545	1.4
145.06410	1.1
145.10124	3.6
147.08084	2.3
147.11685	13.3
149.09636	2.9
151.11169	0.8
153.12766	1.5
155.08595	1.0
157.06425	0.9
157.10127	7.1
161.05905	0.8
161.09657	0.9
163.11166	4.2
165.12746	4.7
171.08055	1.1
171.11694	1.0
173.04468	2.9
175.11180	7.3
181.12297	2.6
183.13774	0.8
188.81572	0.8
191.10741	3.1
193.12242	25.8
199.11137	1.4
199.15273	0.9
211.13295	36.5
216.10948	0.7
217.12395	1.1
227.12688	4.9
229.14413	2.5
235.13380	2.7
237.12708	1.0
239.16240	0.8
239.23698	6.4
249.14816	1.1
255.13895	2.2
259.13538	1.2
267.15894	11.4
267.52161	0.8
273.14948	2.7
283.15607	1.1
285.17093	2.4
286.61197	0.8
291.16092	0.8
301.14420	2.9
313.27359	28.6
319.15347	1.7
337.16516	5.9
341.26996	1.7
355.17480	9.3
365.97195	0.7
375.17975	1.2
383.23495	0.7
383.27786	4.2
393.19153	2.0
411.20111	13.8
505.38766	6.7
523.39978	13.8
575.22986	1.4
585.41016	1.3
635.24396	1.0
649.43085	3.4
667.44189	100.0
668.44312	1.2
675.55328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28330	2.3
53.03922	2.2
54.08204	2.7
55.01864	5.6
55.05515	19.3
57.03436	8.6
57.07067	11.5
65.03934	3.3
67.05187	4.9
67.05511	71.2
69.07071	27.0
70.97099	2.2
71.04953	2.8
71.08639	17.0
71.47357	4.0
79.05493	41.9
79.80444	2.3
81.03397	3.2
81.06593	4.6
81.07059	77.1
83.04968	10.1
83.08630	17.5
85.06552	4.0
91.05475	29.8
93.07048	42.3
95.04955	8.0
95.08059	4.4
95.08608	52.7
97.06516	8.9
97.10156	7.0
99.08077	8.5
99.79027	2.9
105.07041	17.0
107.08598	22.0
109.10168	18.6
111.08100	3.7
117.07027	9.6
119.08584	11.7
121.10133	14.5
123.11701	10.4
123.45608	2.5
125.09639	2.7
131.08565	8.9
133.06458	2.5
133.10075	15.1
135.11696	10.6
137.13167	2.8
145.10178	3.4
147.11668	7.3
149.13229	8.4
151.11223	7.2
159.11661	5.4
161.13277	5.1
163.11241	3.6
165.12752	5.2
179.14227	4.4
195.13661	3.2
201.16222	2.7
212.90500	2.7
227.12732	9.2
229.14308	3.0
269.17514	9.0
276.23267	3.0
277.21664	7.7
279.23257	5.5
291.19589	3.3
294.24249	3.2
322.26236	2.8
328.08029	4.0
335.25864	5.4
337.27414	31.6
339.28683	3.2
351.25235	10.4
353.26721	7.8
387.56924	2.8
393.22348	2.5
428.83279	3.2
498.27722	3.1
531.40448	100.0
554.33545	5.6
610.39417	4.1
613.47754	11.5
631.48914	3.4
634.44263	2.6
648.51758	5.3
666.52368	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	664.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
55.01869	7.1
55.05514	42.3
57.03440	24.4
57.07069	14.2
57.40044	3.2
58.06606	5.0
65.03945	6.9
67.05507	100.0
69.07075	42.1
71.05002	18.4
71.08645	4.9
71.55737	3.5
74.11632	3.2
79.05495	68.4
80.05029	4.6
80.60150	3.4
81.07055	98.9
83.04993	8.5
83.08619	33.4
85.06560	5.9
87.04484	4.3
91.05487	55.4
93.07049	71.8
95.04980	12.0
95.08614	75.7
97.06533	18.7
97.10188	22.8
98.98438	4.6
105.07046	40.2
105.16511	3.8
107.08597	53.2
109.06523	8.8
109.10174	35.9
111.08098	8.6
117.07016	23.0
119.08594	40.6
121.06539	5.6
121.10155	36.6
123.08115	6.1
123.11694	7.9
125.09598	8.4
129.07002	10.3
131.08600	29.0
133.10155	23.9
135.08076	6.1
135.11691	13.7
137.09616	8.4
139.11191	6.6
143.08559	12.2
145.10129	29.9
147.11691	17.4
149.09624	10.3
149.13211	3.7
157.10214	8.4
159.11711	15.8
161.13191	4.1
169.10202	3.4
171.11688	9.8
173.13260	10.2
185.13264	10.0
189.11279	5.9
189.12825	4.2
203.12761	6.9
212.78259	4.1
213.14822	5.4
219.17442	5.3
221.15457	5.0
227.12816	4.0
229.14381	5.3
241.14476	6.8
257.18881	18.1
273.00278	4.0
274.21631	4.4
275.20041	43.6
284.25592	3.6
293.21103	15.7
313.27338	11.7
327.07861	6.1
328.07867	4.6
337.27374	89.5
349.23712	10.8
367.24780	11.0
552.33301	6.4
629.47357	10.9
646.50043	11.7
664.52203	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.3
57.03160	0.5
57.03438	11.2
57.06794	1.0
57.07076	21.1
59.05001	3.3
61.02929	4.8
65.03951	1.0
67.05505	59.5
68.05848	0.4
69.03440	1.0
69.07066	4.8
69.42197	2.2
69.42612	1.1
71.04992	2.3
71.08633	16.9
73.02917	1.3
79.05496	1.8
79.81746	0.4
81.03379	0.6
81.07056	14.4
83.08620	8.4
85.02901	4.0
85.06548	1.8
85.10184	9.8
87.04478	0.6
89.06046	1.1
91.03954	2.4
91.05479	3.6
93.07051	2.9
95.04978	0.4
95.08604	13.8
97.02891	1.9
97.10175	3.4
98.21584	0.7
99.08109	0.8
99.11708	0.6
103.07573	0.8
105.07028	0.7
107.08598	1.5
109.10155	62.3
109.46410	0.5
111.08094	1.9
111.11739	0.5
111.65054	0.4
119.08588	5.0
121.10147	0.7
123.11723	2.2
127.03909	0.9
127.11162	0.6
135.11656	0.5
137.09601	2.7
137.13275	0.9
151.14777	0.6
155.10663	5.6
159.11766	0.4
173.11739	15.8
179.14375	0.7
184.07367	0.6
186.22215	0.5
229.14348	100.0
230.14769	0.6
239.23712	1.6
257.24750	1.6
269.65970	0.4
313.27362	77.9
314.27765	0.8
467.37335	60.8
468.37558	1.0
516.63013	0.6
576.71387	0.4
607.21313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	51.6
57.07339	2.7
58.06564	0.7
67.05480	1.2
70.29434	0.6
70.91239	1.5
77.03951	0.8
81.07002	1.8
87.04455	1.6
91.05486	6.4
93.07008	0.9
95.04937	0.8
95.08553	1.4
105.07000	1.9
108.80659	0.6
112.79169	0.5
112.92471	0.6
113.92258	0.6
117.06973	0.7
119.08552	1.4
119.37173	0.6
120.42730	0.5
126.56361	0.6
147.11694	7.5
148.02266	0.6
152.06168	1.0
153.06960	2.6
164.55197	0.7
168.11935	0.6
171.08003	0.8
177.04489	0.6
228.09315	0.8
233.03600	5.3
251.04686	15.2
290.14114	0.7
307.10886	1.8
327.07797	100.0
328.07922	1.0
383.14050	78.6
384.14548	0.8
439.20331	81.8
440.20834	1.9
494.71146	0.7
495.26590	71.0
496.26926	0.8
520.40948	1.0
536.28979	0.8
551.32843	98.7
552.33087	1.6
607.39075	85.9
608.39655	1.2
648.42493	3.1
663.45447	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.8
57.03446	2.8
57.07079	3.5
67.05499	14.3
69.03400	2.6
69.07068	16.9
79.05494	20.7
81.07059	34.0
83.08623	19.5
85.02892	7.7
91.05477	22.6
93.07035	34.9
93.83929	2.2
95.01316	8.6
95.07986	3.3
95.08599	60.5
97.06502	3.4
97.10168	3.1
99.08058	3.4
105.07027	66.1
107.08588	49.9
109.06500	4.3
109.10155	29.8
111.08071	6.3
113.02325	3.9
117.07047	6.3
119.08580	100.0
121.10139	38.2
123.11723	9.8
125.09614	3.6
129.06966	5.5
130.07788	3.8
131.08562	40.0
133.10138	61.1
135.08096	5.2
135.11671	22.1
137.09613	3.2
137.13235	2.6
141.01839	17.7
142.07803	4.6
143.08577	20.4
145.10121	58.0
147.11685	41.0
148.11205	23.9
149.09615	2.8
149.13246	20.5
151.07523	3.1
153.09071	3.7
155.08549	6.2
157.10130	25.2
158.10873	3.7
159.11676	55.0
161.09653	2.8
161.13248	41.5
163.03867	3.1
163.11168	3.6
163.14816	8.9
165.09111	2.8
165.12802	2.7
169.10106	7.1
171.11705	20.7
173.02435	2.9
173.13240	45.0
175.14801	36.0
177.12810	3.8
177.16364	21.0
179.14352	4.1
183.11696	10.2
184.12468	3.3
185.13254	39.2
187.14787	44.1
189.16376	30.9
191.14320	10.2
191.17914	6.1
193.15889	8.3
195.11781	3.1
196.12355	2.8
197.13298	14.1
199.14828	34.0
201.12915	2.4
201.16391	63.0
201.18259	3.2
203.14313	19.4
203.17917	19.9
205.15909	17.6
207.17479	4.0
209.13272	7.1
211.14775	7.3
213.16360	23.3
215.14355	5.5
215.17966	15.4
217.15952	15.6
219.17467	16.3
221.13377	2.9
221.15356	3.5
221.18924	2.8
223.16911	5.4
225.16391	7.3
227.14368	3.2
227.17900	7.5
229.15891	5.7
231.17461	9.1
233.15340	5.7
233.18958	6.2
239.17810	5.9
241.19624	3.9
245.15411	5.1
247.16998	10.7
249.14833	32.2
251.18132	3.9
253.19513	3.3
261.14920	10.1
263.16437	5.4
267.20834	3.1
275.16272	3.6
277.17853	2.8
287.20023	3.8
331.24008	2.3
343.22498	3.3
347.27490	3.8
387.30399	8.9
389.31955	5.1
393.27682	3.5
405.31570	28.3
407.33246	5.6
411.28882	12.0
421.30978	11.8
423.32486	16.8
425.34180	3.9
433.30966	25.8
439.32004	24.2
451.32080	78.3
469.33160	52.8
487.34076	11.9
563.33344	4.4
573.67053	2.7
627.34998	4.9
645.35498	4.4
663.37610	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	663.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.2
53.03932	0.4
53.05346	0.2
55.01880	0.2
58.06601	24.5
59.06940	0.3
59.07383	13.6
60.08164	33.0
61.83160	0.2
63.02361	0.2
66.62798	0.2
71.06739	0.5
74.02434	1.0
79.05485	0.6
91.05480	13.5
93.07059	0.8
95.04980	0.7
103.05466	12.6
104.06250	0.8
104.71745	0.2
105.03378	1.5
105.07027	3.3
106.06568	1.1
107.04968	1.1
115.05447	1.3
116.04992	1.6
117.05766	1.7
117.07016	0.7
118.06547	4.6
119.04948	2.8
119.06473	0.3
119.07330	7.4
120.08105	31.9
120.30965	0.2
121.06498	0.5
123.04456	1.1
128.04964	2.8
129.07008	0.5
130.06531	4.6
131.04930	21.9
131.07301	0.6
132.08087	0.8
133.08923	0.2
134.06035	0.7
134.09625	0.3
135.06799	0.3
136.07582	10.1
141.06990	0.5
142.06522	0.4
144.04492	0.4
144.08096	0.8
145.05223	5.1
145.06360	0.4
146.06009	19.8
147.04375	1.1
148.07564	1.5
148.11197	2.7
152.77208	0.2
153.07008	0.4
154.07770	0.3
156.15240	0.2
158.06027	1.3
159.06778	0.3
159.10420	0.4
162.05507	4.4
163.03920	0.6
165.05481	1.3
165.07037	0.7
166.07774	0.8
167.08566	1.2
169.10112	1.4
170.06020	0.3
172.03947	0.8
175.08690	0.7
177.05525	0.5
178.07829	0.8
179.08566	1.7
181.06488	1.5
181.10117	1.6
182.08157	0.6
182.09680	0.3
183.08080	0.5
187.08705	0.4
188.07097	0.3
190.05089	0.4
191.08516	1.1
193.10179	0.8
195.08102	0.8
196.08870	1.1
196.11243	0.2
197.09586	1.3
203.08476	1.0
205.10196	0.8
206.09569	1.1
207.08061	2.3
207.14861	1.1
208.11290	1.9
208.12985	0.3
209.09628	0.6
211.07570	0.4
218.09682	0.5
219.08112	0.7
219.78862	0.2
220.11205	2.0
221.09645	1.0
221.11816	0.4
222.12761	2.4
223.07611	0.7
224.10677	2.3
225.09206	0.4
228.10216	1.0
230.09673	0.3
232.11183	0.5
233.09604	0.4
234.09216	0.5
235.07549	0.5
235.09901	0.3
236.10738	3.0
238.12379	1.1
246.09230	0.8
248.10725	3.1
249.11517	2.2
250.12299	1.5
253.08687	0.6
253.13272	0.6
262.08652	0.9
263.11774	1.2
264.10229	0.7
265.08661	0.7
265.13385	0.7
270.11234	4.8
273.80576	0.2
275.11676	0.2
276.10217	1.8
279.11325	0.5
281.12881	0.9
282.11160	1.2
284.12689	0.3
291.11377	0.5
293.12952	0.4
308.09106	0.4
308.18854	0.8
309.12399	4.0
309.19513	1.2
327.16385	0.3
338.15536	0.4
339.13660	0.3
343.91257	0.2
357.19724	0.3
366.14886	0.4
367.18066	0.6
383.17456	0.3
395.17426	0.8
401.18567	0.6
411.16913	0.6
417.17990	0.3
426.18021	0.9
429.18222	0.7
457.17615	0.5
576.24731	0.7
593.16046	0.3
604.24457	11.2
605.24963	0.3
635.32251	10.0
636.31750	0.3
663.31738	100.0
664.32074	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	662.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.4
55.01870	3.6
55.05282	2.1
55.05514	27.4
57.03435	16.5
57.07061	6.0
65.03937	6.5
67.05505	100.0
69.03080	1.8
69.07070	25.5
69.20782	2.8
69.21181	17.5
69.33904	1.8
71.04976	4.9
71.08618	2.3
79.05495	73.7
81.03416	3.1
81.07058	92.8
83.04973	6.0
83.08611	11.1
85.06535	3.6
87.04467	23.7
91.04911	3.2
91.05483	65.0
93.07044	82.4
95.04945	9.3
95.08611	60.1
97.06539	10.1
97.10158	7.1
98.20740	3.7
99.08089	4.7
103.05464	2.5
105.07034	50.0
107.04919	2.0
107.08596	49.4
109.06506	8.8
109.10156	28.7
111.08074	4.3
115.05446	3.6
117.07041	19.2
119.08593	39.4
121.06487	3.2
121.10140	32.8
123.08063	3.7
123.11691	7.7
125.09631	5.4
129.06999	7.8
131.08557	24.0
133.10126	30.8
135.11696	21.4
137.09549	3.7
139.11200	2.1
143.08540	6.9
145.10107	18.5
147.11694	15.5
149.09598	2.7
149.13245	12.2
151.11227	3.0
157.10123	4.0
159.11685	18.9
161.13260	7.8
163.11134	4.7
171.11688	4.4
173.11861	4.0
173.13258	9.3
177.12759	3.0
179.14333	2.0
183.11717	4.0
185.13228	5.9
187.14847	4.9
199.14821	2.6
213.16400	2.4
219.17372	2.3
227.12856	2.4
229.14296	5.6
235.16833	2.3
239.17880	3.3
241.19547	3.7
255.15866	3.2
257.18906	3.8
259.20551	9.7
261.22113	5.3
267.62762	2.0
269.17365	6.3
275.20065	17.3
277.21600	10.5
293.21146	3.1
309.20657	2.6
319.78711	2.6
333.24216	8.2
335.25800	62.3
349.23734	11.5
351.25330	18.0
367.24942	2.9
417.20963	3.3
459.21622	7.3
475.20944	2.2
489.35986	4.9
515.36969	6.9
519.24072	2.6
529.38879	40.7
547.26837	5.5
569.41864	10.8
606.28278	12.8
607.28857	6.1
609.44891	10.4
622.27673	10.1
627.46228	5.5
662.45203	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	662.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.3
55.01869	1.8
55.05512	14.2
57.03439	17.4
61.02922	4.1
64.79446	1.1
67.05508	45.0
69.03429	2.5
69.07077	10.6
70.19167	4.0
71.01347	3.2
71.04989	5.3
79.05497	40.6
81.03424	54.3
81.07059	30.3
81.50160	1.1
83.04981	14.5
83.08620	19.9
85.02913	15.8
85.06528	3.6
91.05485	29.4
93.07048	40.1
93.07641	2.0
95.04972	22.7
95.08612	9.8
96.26774	1.1
97.02897	3.5
97.06537	10.5
97.10184	9.8
99.04422	1.5
99.08070	2.2
105.07040	18.8
107.04963	5.3
107.08595	26.8
109.06523	3.3
109.10161	6.2
111.04446	2.3
111.08086	9.8
113.05976	1.4
115.05448	2.7
117.06993	4.3
119.08571	17.0
121.06483	1.8
121.10151	9.5
123.08067	2.6
125.09640	1.9
129.07002	8.2
131.08551	8.6
133.06523	2.2
133.10141	8.9
135.11703	37.9
135.12733	2.6
137.09593	1.5
142.07799	1.7
142.79446	1.0
145.10115	8.2
147.08040	2.6
147.11670	11.4
149.09625	4.6
154.18991	1.1
157.10149	11.2
163.11188	5.3
165.12770	2.0
175.11180	10.4
180.87730	1.2
181.12289	6.5
193.12267	30.4
211.13298	48.4
211.84152	1.2
249.14777	1.8
255.15935	68.0
267.15933	22.4
285.16965	30.9
285.20200	1.6
421.25983	3.3
429.26578	1.4
447.27438	75.8
465.28513	100.0
466.28766	2.6
630.22015	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	1.8
65.23444	1.4
67.05482	3.9
68.80276	1.6
76.15219	1.4
79.05498	2.3
81.07034	2.9
87.04472	21.0
91.05478	2.2
93.07069	1.7
95.08599	2.2
95.91644	1.4
95.92324	1.5
98.21547	2.7
98.44094	1.5
107.08579	1.7
121.06534	1.7
125.52601	1.6
134.02223	1.6
155.45468	1.9
217.97243	1.6
312.14926	1.5
389.17267	2.1
416.61511	1.6
417.20993	2.7
429.16559	1.7
431.18262	3.6
433.23849	4.8
444.19034	3.0
445.19839	8.3
446.17239	5.8
447.17838	4.6
459.21841	48.4
460.22684	7.3
461.23102	5.5
473.23172	2.0
475.21298	16.8
476.21405	3.9
487.20508	2.7
506.99637	1.7
519.23730	9.7
531.23785	3.3
533.21948	2.8
535.22723	2.1
545.25330	5.0
547.27283	25.0
563.26898	2.9
574.25677	2.2
591.25598	3.5
593.23737	6.2
605.27216	5.9
606.28357	100.0
607.29102	12.1
622.27783	68.9
623.28235	2.9
630.27026	2.8
662.29736	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	660.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18377	1.0
53.03935	2.2
55.01868	3.2
55.05516	9.9
57.03436	10.6
57.07067	1.4
57.22721	1.0
61.02934	1.8
67.05508	23.2
69.07063	5.1
71.01358	3.6
71.04984	3.6
71.54760	1.8
79.03001	1.1
79.05495	22.6
81.03422	7.5
81.07054	12.6
83.01345	4.0
83.04963	8.2
83.08614	6.2
85.02911	3.1
85.06544	2.1
91.05476	10.7
93.07049	27.2
95.04958	2.5
95.08629	5.7
97.02889	2.7
97.06526	6.1
97.10179	6.1
99.04474	1.3
105.07037	4.8
107.04971	5.1
107.08586	15.6
109.06511	2.2
109.10133	2.5
111.04428	1.5
111.08086	1.4
117.07021	6.5
119.08584	6.7
121.06498	1.5
121.10145	7.1
123.08061	3.1
131.08542	2.1
133.10144	2.0
135.11696	27.2
143.01778	1.2
145.10136	11.5
147.08086	1.8
153.12817	1.6
163.11189	13.9
173.09738	1.5
181.10835	1.5
181.12196	6.3
191.10651	1.2
209.11737	3.4
227.12727	2.6
255.15907	55.8
274.20139	1.1
283.15396	33.4
334.67499	1.2
445.25739	3.4
463.26855	100.0
464.27057	1.7
651.96771	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2262
Annotation	Sorocein B
Peak:m/z	Relative Intensity
55.05498	4.0
56.98447	4.1
57.07073	4.5
67.05499	6.9
69.72175	13.7
69.72585	7.3
75.74670	3.7
81.03403	5.7
81.07048	7.7
85.78070	4.2
89.06017	17.9
91.05476	4.5
91.19128	4.2
91.99547	4.2
93.07047	5.7
97.89200	4.2
98.21538	4.0
105.07028	8.6
114.23681	4.3
133.08585	11.2
133.10112	6.0
136.06133	5.8
149.79176	4.5
177.11285	6.7
177.38708	4.0
184.95074	4.4
184.96703	4.7
313.27081	5.3
315.46838	5.1
336.67316	4.3
379.83389	4.7
459.27972	6.1
558.02185	4.7
576.84552	4.3
659.22803	100.0
665.36499	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	658.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.2
55.01866	2.3
55.05516	17.0
57.03199	1.2
57.03444	11.5
57.07080	33.2
59.04995	2.3
65.03934	2.1
67.05509	66.4
69.06732	1.5
69.07074	21.2
69.83711	6.3
71.04996	2.3
71.08639	27.0
79.05496	17.4
81.06593	2.3
81.07060	42.7
83.04975	1.9
83.08626	19.1
85.06526	3.3
85.10194	15.3
89.06041	6.3
91.05490	14.0
93.07049	20.6
95.04961	3.4
95.08611	36.4
97.06514	3.8
97.10184	11.2
98.00159	1.1
98.20816	1.8
99.08084	1.9
105.07031	13.3
107.04971	2.4
107.08595	19.1
109.06532	2.3
109.10164	48.0
111.08054	3.7
117.06995	4.9
119.08600	13.8
121.10151	7.5
123.08092	1.7
123.11702	5.1
125.09655	8.8
129.07031	1.5
131.08539	6.4
133.08606	3.4
133.10110	8.7
135.08057	4.6
135.11661	3.4
137.09599	2.6
145.10097	6.4
147.08090	1.5
147.11693	5.8
149.09625	3.9
149.13271	4.9
155.10684	3.6
157.10191	1.4
159.11674	4.1
161.13220	2.0
163.11185	2.9
173.11729	9.3
173.13272	3.3
177.11266	2.3
179.14304	1.7
183.11668	1.2
189.11235	2.7
195.13765	2.5
227.12801	19.5
229.14366	58.6
239.23555	2.0
247.20558	2.0
257.19110	4.4
257.24695	1.5
269.14862	2.0
269.17487	18.1
269.86191	1.1
275.20068	26.7
293.21048	3.9
313.27386	100.0
349.23715	20.4
367.24875	15.4
404.73981	1.1
445.49362	1.2
459.28128	2.4
467.37378	38.1
491.40747	1.4
493.21689	1.2
507.33429	2.0
507.40530	30.3
546.38324	5.3
547.39673	3.0
587.37354	1.1
587.46637	22.9
605.47729	16.0
658.37567	3.9
664.10278	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01870	1.4
55.05510	7.0
57.03436	10.3
57.07067	3.1
61.02922	3.3
65.03925	1.8
67.05508	30.2
69.03417	2.2
69.07066	9.6
70.06588	1.9
71.04993	1.7
71.08615	1.5
71.55161	1.4
72.93281	0.9
73.02904	1.5
79.05495	15.6
81.03422	41.5
81.06598	1.6
81.07060	31.4
83.04988	5.4
83.08620	15.3
85.02895	2.5
85.06557	2.0
88.07617	2.2
91.03979	2.7
91.05484	15.0
93.07044	26.3
95.04977	11.9
95.08609	8.8
97.02888	3.1
97.06508	5.2
97.10168	2.4
98.38005	1.2
99.04501	1.1
99.08112	1.1
100.82528	1.2
102.09181	2.5
105.07032	9.3
107.04950	2.2
107.08590	17.3
109.06509	3.0
109.10199	2.5
111.08102	5.7
117.07004	4.4
119.08585	7.6
121.06517	2.3
121.10140	11.1
123.08051	1.4
123.11692	1.3
125.09655	1.1
125.51877	1.1
127.03964	1.5
129.06996	2.9
131.08612	6.3
133.06451	1.4
133.10120	5.0
135.08119	1.4
135.11691	4.0
147.08066	1.3
147.11682	3.6
149.02364	4.3
149.09737	2.5
149.13263	13.9
157.10133	6.1
159.11665	6.6
163.06064	1.2
175.11172	4.8
177.12701	2.5
193.04965	6.9
193.12280	11.7
195.13890	5.5
237.07585	1.7
256.26324	5.0
267.15921	52.4
269.17477	60.0
299.25754	4.5
317.26709	2.3
328.13339	2.1
341.06787	1.7
359.07642	1.4
385.09155	4.7
429.11887	4.5
435.27295	3.8
458.30719	1.3
461.29013	100.0
462.29132	1.6
479.30072	1.5
503.29999	3.6
658.35602	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	658.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.4
57.07073	7.0
58.06604	2.1
60.53043	0.3
65.03938	0.6
65.87518	0.3
68.05051	0.3
69.07038	0.3
69.58489	0.6
69.58899	1.2
70.06591	16.5
71.08624	2.4
72.08125	0.6
76.81945	0.3
84.08112	0.5
85.10153	1.0
88.07626	19.7
89.49557	0.3
91.31084	0.3
95.04941	0.4
96.73875	0.3
102.09176	15.7
103.55441	0.3
105.03362	0.4
121.02825	0.4
131.04872	0.3
132.10228	0.3
134.12495	0.3
147.04398	0.4
148.81773	0.3
149.02338	35.2
161.02190	0.3
175.03876	1.0
177.05486	0.9
179.01358	0.3
187.74606	0.4
193.04953	41.2
194.05339	0.6
212.23752	0.8
219.06459	1.3
225.05486	0.7
237.07567	11.4
256.26337	41.5
257.26614	0.5
269.04471	1.4
274.20126	0.3
297.03925	2.2
300.28937	1.1
313.07019	2.3
341.06549	9.3
343.08200	0.6
359.07614	7.1
385.09180	19.0
403.10449	0.4
429.11792	25.6
640.34808	1.0
658.35822	100.0
659.36169	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01864	5.8
55.05516	22.1
57.03183	1.9
57.03446	11.2
67.05507	26.9
69.03432	14.5
69.07059	7.7
71.04971	6.5
73.02897	2.6
79.05084	2.3
79.05500	27.3
81.03422	100.0
81.07059	33.1
83.04984	28.7
83.08617	24.7
85.02914	25.3
85.06541	2.0
88.77831	2.0
91.05486	35.2
93.07046	17.3
95.04972	27.8
95.08608	13.9
97.02905	14.6
97.06522	5.2
97.10152	7.3
99.04449	2.5
105.07033	24.5
107.04951	11.8
107.08584	14.4
109.02894	11.4
109.06513	5.2
109.10134	8.0
111.04440	10.9
111.08076	12.6
114.75970	2.2
117.07014	9.0
119.04937	2.6
119.08582	22.0
121.06465	3.4
121.10173	10.6
123.11678	2.7
125.09645	4.2
127.03922	6.2
128.06172	2.1
129.05453	6.6
129.06995	15.1
131.08595	14.4
131.14583	1.9
133.06512	4.6
133.10187	11.9
135.08058	3.9
137.05936	2.7
137.09554	2.5
142.07797	2.1
144.44820	2.0
145.06354	2.4
145.10104	5.5
147.08069	2.9
147.11702	16.7
149.09639	9.4
157.10132	14.3
163.11127	6.2
165.12762	5.7
169.10129	2.5
173.04330	3.4
173.09509	2.8
175.11174	14.1
178.06526	2.1
191.10750	4.2
193.10443	2.9
193.12245	56.1
204.05753	2.2
209.11742	2.4
211.13306	77.0
227.12770	7.3
229.14232	3.2
267.15894	26.3
285.16959	31.4
301.14148	3.4
337.16153	3.5
355.17386	5.6
359.22018	4.7
385.23825	5.5
393.19052	2.9
411.20248	4.5
429.21097	10.8
431.28302	2.8
433.25864	2.6
451.26804	3.7
459.27249	21.6
477.28363	23.8
495.29575	33.5
585.30304	2.5
603.31439	4.9
621.32397	7.8
639.33868	30.8
657.32349	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	657.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.3
59.06116	2.0
67.05493	3.5
69.07059	1.5
69.78741	4.4
69.79147	2.5
76.54537	1.4
79.05518	2.2
79.10987	1.3
81.07056	3.9
91.05479	2.9
93.07036	4.5
95.08617	1.6
98.20735	1.4
101.07185	1.5
106.53341	1.2
107.08590	2.1
108.59168	1.4
109.10160	2.2
128.67480	1.3
133.10150	1.6
145.10184	1.3
163.11264	1.5
165.91417	1.6
208.09741	1.3
247.12328	1.7
249.14049	1.5
261.13846	1.9
273.13632	3.1
290.16803	1.5
340.18188	1.8
350.16248	1.4
362.16461	1.7
364.17535	2.0
365.17725	3.6
366.19470	1.9
377.17798	2.8
379.19421	3.6
391.19366	3.0
392.20331	2.7
393.16785	2.4
393.21393	2.7
394.17599	2.1
394.21960	2.4
405.21213	1.8
407.22409	3.9
408.19534	3.4
409.20117	4.9
410.18085	1.7
419.18393	2.2
421.20157	4.8
421.24808	2.1
422.20770	3.7
423.21918	16.5
424.21915	1.9
433.19971	2.1
434.21094	1.6
435.21982	10.1
436.22479	4.6
437.23245	4.2
442.21518	1.7
446.21161	2.1
449.23764	2.9
450.25049	2.2
451.20844	3.3
452.22659	1.6
454.20163	4.6
460.23001	1.6
461.23227	5.5
463.21207	4.7
465.23105	3.0
467.24371	5.9
468.25803	2.3
477.22943	4.5
478.23538	2.6
479.25262	6.7
481.22266	2.3
493.22275	5.0
494.22919	3.8
494.26404	4.1
495.23752	14.2
496.24683	3.8
507.23761	2.7
508.24692	16.1
509.25906	11.0
510.26477	9.6
511.27106	12.3
516.24689	2.1
521.24915	4.2
522.25909	2.6
523.23401	4.5
526.28766	1.7
537.25085	17.9
538.25867	7.8
539.26715	2.1
545.38519	7.1
553.28290	8.4
566.24420	1.7
570.28149	5.0
581.27515	18.4
583.25391	4.5
597.27118	48.8
598.27838	7.8
607.24731	1.9
613.30237	80.5
625.26611	100.0
626.26813	1.9
657.29034	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	657.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35667	1.1
52.78263	1.0
55.05508	1.5
58.29832	1.2
59.06106	4.4
60.05637	4.0
67.05484	1.6
71.55547	1.5
79.05476	2.5
81.07072	2.4
93.07024	2.1
95.08580	1.2
105.07014	1.5
107.08544	1.4
109.10179	1.2
132.08208	1.2
135.63721	1.3
152.47014	1.4
166.18517	1.1
221.10764	1.6
223.12329	1.5
232.09557	1.1
247.12299	1.7
249.13951	2.0
274.13611	1.2
287.15048	1.4
314.16434	1.4
318.15921	2.0
337.15540	1.4
352.18182	1.6
354.19849	1.5
364.17453	1.5
375.16745	1.5
377.17542	3.6
378.18973	2.2
379.19315	3.7
379.24039	1.4
381.20844	1.5
389.18008	1.7
391.19061	3.7
392.20428	1.6
393.16745	2.1
393.21152	2.4
405.21014	2.7
405.90790	1.2
406.21896	1.5
407.18219	3.1
407.22794	2.6
408.19366	4.0
409.20309	7.0
412.20071	1.2
417.17178	1.2
419.18665	1.7
421.20096	3.7
422.20764	3.3
423.21722	19.5
434.21140	1.4
435.21820	7.3
436.22272	3.1
437.23343	3.8
438.21030	1.3
446.20203	1.4
449.19006	2.5
449.24118	2.0
450.24457	2.2
451.21127	4.5
454.20029	4.9
461.23367	7.8
463.21411	3.6
464.22699	1.3
465.22672	5.0
466.20663	1.3
467.24402	2.7
468.24802	2.2
477.22723	4.4
478.23300	2.4
479.24774	6.9
481.22305	3.0
493.22144	5.1
494.26566	4.6
495.23727	10.5
496.24716	4.0
508.24722	14.3
509.25638	9.7
510.26456	9.1
511.27255	10.8
519.23663	1.6
521.25250	3.7
522.25244	2.0
523.23151	4.6
525.28210	1.8
537.25092	14.5
538.25854	7.4
545.38220	2.6
553.28461	8.4
565.24188	2.6
570.28162	3.2
581.27649	15.5
582.24371	1.4
583.25354	5.6
597.26978	37.8
598.27509	5.7
613.30164	59.0
614.29877	1.8
625.26520	100.0
626.26929	2.7
657.29333	9.2
657.50311	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	656.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24558	2.4
53.03946	9.2
55.01873	8.7
55.05515	20.4
57.03443	19.9
57.07078	50.7
65.03944	4.6
67.05509	63.6
69.07072	65.1
70.80049	4.1
71.05002	24.8
71.08638	38.1
73.02924	3.8
73.59779	3.1
78.80134	2.7
79.05502	43.9
81.03416	11.9
81.07057	66.2
83.05006	13.9
83.08624	17.7
85.06556	5.7
85.10183	21.8
85.79230	2.5
87.04530	2.6
91.05489	36.1
93.07051	46.2
95.04971	15.2
95.08618	54.8
97.05933	5.0
97.06537	100.0
97.10176	8.7
99.08090	5.0
105.07032	28.3
107.04976	7.4
107.08599	26.2
109.06512	12.4
109.10160	24.1
111.08073	4.4
113.05999	3.6
115.07578	51.5
115.08376	3.5
117.07017	13.6
118.82710	2.6
119.08590	15.9
121.06561	5.5
121.10145	12.5
123.08033	3.6
123.11731	7.4
125.09634	3.1
129.07030	8.3
131.08591	23.0
132.85986	2.7
133.06622	2.8
133.10161	20.2
135.08029	9.6
135.11681	6.4
137.13274	4.3
145.10114	10.1
147.08035	5.6
147.11693	5.1
149.09615	3.8
149.13252	8.1
151.11220	4.4
157.10080	6.6
159.11681	10.5
161.09677	6.9
163.11220	6.0
169.10223	2.7
173.09662	3.5
173.13303	4.6
175.11194	4.3
177.12740	9.8
185.13322	4.2
187.11194	2.8
195.11923	2.8
195.13731	6.9
199.14877	3.1
217.15865	11.7
221.15573	2.8
227.18025	4.8
233.15305	4.2
239.23781	4.8
245.19077	6.1
249.14987	2.8
253.14258	7.8
269.17484	10.9
273.18475	39.1
291.19522	23.1
297.17001	4.8
307.19284	3.9
313.27393	91.1
341.26819	12.9
347.22177	15.8
365.23004	12.8
383.24533	3.0
493.38452	4.8
507.33459	4.8
507.40485	66.9
519.07306	2.8
535.39526	7.9
544.40497	5.5
585.44952	3.8
603.46582	17.9
621.46735	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	655.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
55.05508	5.4
57.03427	5.3
57.07080	37.9
58.42012	1.1
61.02930	13.6
67.05504	14.0
69.03418	1.5
69.07069	7.5
71.08633	30.4
72.48347	1.1
73.02901	4.8
75.04462	2.6
78.84242	1.0
79.05470	3.2
81.03395	4.1
81.07058	17.6
83.08633	11.4
85.02905	17.0
85.10184	17.3
86.83016	1.0
91.03956	15.1
91.05470	3.9
93.07028	4.2
93.78068	1.1
94.49723	1.5
95.04978	1.4
95.08607	27.5
97.02914	7.1
97.10155	6.1
105.07010	2.1
107.08591	1.4
109.10159	12.0
111.11679	1.1
119.08549	1.6
123.11707	5.7
125.09566	1.4
127.03925	5.4
135.11646	1.2
137.13272	1.3
143.08559	1.3
145.04951	7.5
147.04359	1.7
147.33127	1.2
147.55296	1.4
163.06001	9.5
171.06770	1.2
239.23705	30.5
256.89313	1.3
257.24725	3.6
274.93195	1.2
298.27362	1.4
313.27365	100.0
331.28418	21.4
379.28333	1.2
477.54428	1.3
543.36511	2.6
619.25482	2.3
637.25916	4.0
655.27045	12.2
655.38947	3.6
665.36963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00273	0.8
54.63433	0.7
55.01898	0.7
55.05513	5.2
57.03445	5.4
57.07079	36.4
59.06118	0.9
61.02660	0.8
61.02933	9.3
67.05506	11.7
69.03403	1.2
69.07067	7.2
69.41172	0.8
69.61022	4.4
71.08241	1.5
71.08633	28.4
73.02900	3.1
75.04479	1.1
79.05479	2.2
81.07054	15.7
83.08624	10.9
85.02908	8.0
85.10189	17.2
91.03504	0.9
91.03965	9.7
91.05477	1.1
93.07047	1.4
95.08610	22.5
97.02904	6.0
97.10181	6.8
99.04449	0.9
99.08085	1.2
99.11745	1.5
103.07575	1.2
105.07021	1.2
107.08603	0.7
109.10164	11.7
111.11715	2.0
119.08527	1.9
123.11678	4.5
125.13300	1.0
127.03902	3.2
135.08011	0.8
137.13246	2.7
145.04997	5.1
163.06007	5.5
179.36591	0.8
221.22629	1.4
239.23714	22.8
257.24719	3.5
313.27374	100.0
331.28442	18.9
403.01788	1.0
475.32367	2.6
511.35382	1.0
655.28033	1.1
655.40070	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3321
Annotation	Sordarin-1-glucose ester
Peak:m/z	Relative Intensity
53.03947	9.8
55.01868	10.3
55.05510	26.1
57.03437	16.6
59.04992	2.0
59.40106	1.6
65.03950	3.1
65.14378	1.5
67.05504	31.8
69.03433	19.3
69.07062	9.0
70.10381	6.4
71.01365	2.5
71.05012	10.1
72.12726	1.7
72.70824	1.5
73.02917	3.2
79.05491	36.1
81.03419	100.0
81.07054	35.5
83.01344	4.2
83.04984	42.7
83.08620	25.4
85.02901	23.6
85.06554	2.0
90.90390	1.7
91.05485	35.4
93.07046	35.5
95.04964	22.7
95.08601	13.9
97.02888	20.4
97.06517	8.2
97.10181	6.2
99.04453	8.4
99.08067	2.0
101.02359	2.1
105.04567	1.9
105.07036	22.4
107.04934	11.2
107.08585	18.6
109.02873	14.5
109.06541	8.2
109.10144	8.0
111.02938	1.5
111.04444	19.7
111.08083	11.4
114.13734	1.5
117.07013	7.4
119.08570	18.8
121.06531	5.7
121.10149	16.2
123.04423	3.2
123.08064	7.0
123.11724	2.5
125.06010	2.7
125.09647	4.8
127.03919	10.5
129.05473	7.2
129.07033	11.0
130.07846	2.7
131.08571	13.3
133.06499	3.8
133.10143	11.1
135.08020	3.2
135.11685	14.3
142.07797	2.1
143.08557	3.0
145.06467	2.3
145.10104	13.6
147.04434	2.1
147.08046	3.1
147.11702	15.1
149.05934	1.5
149.09619	6.8
153.12776	9.9
155.08543	3.6
157.10118	12.1
161.06096	3.0
163.03891	2.3
163.11191	25.1
165.12732	2.6
173.04424	1.9
173.09621	4.9
175.11200	13.3
181.12218	11.7
189.11259	1.8
191.07870	1.5
191.10628	9.1
193.12256	33.6
197.79095	1.6
209.11720	9.2
209.33813	1.8
211.13303	53.7
213.05481	1.7
227.12761	23.3
229.14339	2.5
249.14970	2.4
265.14359	2.7
267.16016	12.6
283.12418	3.2
283.15421	42.5
284.00208	1.8
285.16968	13.4
302.60049	2.0
319.15576	2.0
337.16544	2.2
353.15854	4.7
355.17468	2.6
383.21783	2.1
411.20026	3.6
421.12592	1.8
427.19785	4.4
429.21060	8.6
457.25507	2.6
461.29166	2.2
475.27002	18.8
493.27954	67.6
494.28079	2.2
511.28830	2.9
619.30811	3.1
637.22778	3.1
637.32214	34.0
655.33380	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	655.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.2
53.04606	1.3
55.01871	13.7
55.05267	2.1
55.05511	29.6
57.03436	17.1
57.07056	4.5
59.04991	2.8
65.03925	5.0
67.05505	57.3
69.03080	2.5
69.03432	34.4
69.03808	1.7
69.07063	10.8
69.41518	3.3
69.41920	7.9
71.01347	3.9
71.04983	9.7
73.02906	6.8
79.05492	42.1
81.03417	100.0
81.07056	40.6
82.04225	1.7
83.04985	25.9
83.08617	23.2
85.02439	2.2
85.02913	28.7
85.06510	3.2
85.51087	1.5
91.05486	43.1
93.07043	27.1
95.04969	35.5
95.08598	13.9
97.02896	32.2
97.06534	9.7
97.10184	14.8
98.21580	3.0
99.04459	6.8
99.08088	2.0
101.02370	1.5
101.99252	1.6
103.03930	2.0
103.05436	2.0
105.03387	1.8
105.06378	2.8
105.07030	26.6
107.04960	17.8
107.08596	19.8
109.02876	16.5
109.06504	6.4
109.10154	22.6
111.04435	16.1
111.08088	14.0
113.05988	2.0
115.03907	4.9
115.05445	3.0
117.07019	8.7
119.08575	23.5
120.08099	6.7
121.06533	7.2
121.10143	13.3
123.04422	6.9
123.08044	4.2
123.11696	2.4
125.05993	1.8
125.09627	13.4
127.03928	11.2
128.06194	2.2
129.05537	2.9
129.07002	11.9
131.08568	15.0
133.06454	5.1
133.10143	10.6
135.04446	4.4
135.08040	3.3
135.11691	6.8
137.06023	2.6
137.09627	2.3
142.07791	3.2
143.03395	3.0
143.08504	3.6
145.06479	2.3
145.10161	8.0
147.08067	5.4
147.11668	16.5
149.09657	8.8
153.05507	3.2
153.12718	3.3
155.08499	1.8
155.70552	1.5
157.10132	13.1
159.11693	3.3
161.06030	1.7
161.09608	1.4
163.07309	1.9
163.11182	11.6
165.12729	4.7
171.06551	2.4
171.08041	1.6
173.04512	10.3
173.09615	3.9
173.11749	3.7
175.11209	15.7
181.12218	5.5
189.05489	3.3
189.11226	5.1
189.12740	1.7
191.10660	6.0
193.12245	39.7
197.09596	1.5
199.06000	4.9
199.13290	2.7
209.11682	14.1
211.13277	41.0
227.12732	13.0
229.14304	15.7
247.13383	2.5
249.14989	1.7
255.15834	1.9
261.14856	1.7
267.15948	17.7
268.13394	1.6
283.15369	9.1
285.17026	11.1
289.14435	2.6
295.15372	1.6
313.16281	1.7
341.94281	1.6
353.15872	3.5
383.22070	2.0
401.23303	1.8
409.25830	2.0
411.20151	2.9
421.12549	1.7
421.25818	13.6
427.19604	3.5
427.26840	1.8
429.20490	2.5
439.26920	12.2
457.25452	2.4
475.26883	11.8
476.27518	1.9
493.27979	10.2
511.29028	2.9
619.30341	2.4
637.32581	9.1
655.32739	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	655.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52463	1.7
61.56797	1.7
69.19022	1.8
71.55937	3.2
81.07022	2.2
88.02094	2.0
92.68698	1.7
97.48212	2.2
110.74030	2.0
139.94016	2.3
166.66138	2.1
225.10117	3.2
227.11981	2.7
237.13814	2.2
266.14215	2.3
274.02008	1.9
303.67978	2.0
321.82999	1.8
356.14053	2.1
358.73178	1.9
373.01541	1.8
387.15430	2.0
447.17099	3.3
447.22467	3.7
458.17007	2.3
461.19290	3.6
475.21445	15.4
476.21683	3.4
477.22906	4.1
503.20935	2.6
519.19592	2.2
535.23749	7.1
547.23492	2.5
562.25299	2.1
563.26129	7.5
579.25500	3.1
593.26105	2.3
595.25006	5.9
609.26752	4.6
622.27814	100.0
623.25684	4.1
637.26349	4.3
638.26892	3.9
655.27570	4.3
660.10541	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
67.05495	1.8
71.55365	0.5
74.59261	0.4
75.04491	0.5
79.05499	0.7
81.03420	0.6
81.07047	0.8
83.04951	0.5
91.05471	1.0
93.07040	0.8
94.43420	0.5
95.04992	0.5
95.08604	0.7
105.07013	0.8
107.08595	0.5
119.08591	0.7
171.11687	0.5
360.13828	0.6
391.19162	1.2
392.19833	0.8
405.17154	1.7
407.22495	3.8
419.18262	2.6
420.19125	0.9
421.19952	1.1
432.19412	0.6
433.20715	4.0
434.21066	5.2
435.21902	7.4
436.22394	0.8
447.17340	1.1
447.21985	2.0
448.18713	1.1
449.19269	2.1
461.19867	1.5
462.20181	4.3
463.21222	4.4
475.21332	2.1
476.21915	1.3
477.22693	1.5
478.23267	0.5
479.20618	1.2
489.22650	1.3
493.22397	1.3
494.22873	0.5
495.23914	1.5
506.23199	0.6
507.19623	0.6
507.24591	1.1
508.25150	1.8
509.25443	2.5
521.25696	11.7
535.27246	0.5
540.27380	0.6
549.24988	17.3
550.24451	0.6
553.24591	1.5
563.26746	3.5
564.26953	0.7
567.25891	0.7
577.23901	0.8
580.25409	0.5
581.27740	3.5
595.29333	11.3
607.28448	0.5
609.26941	10.9
623.28888	1.6
655.31049	100.0
656.31342	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04158	2.0
53.03947	13.9
55.01871	19.2
55.05508	20.6
56.96542	1.7
57.03436	13.4
58.84947	1.5
59.04987	2.8
61.02924	2.0
65.03915	2.1
67.05505	37.4
69.03435	21.5
69.07053	9.0
69.34820	7.7
69.35246	4.6
71.01335	2.4
71.04997	12.9
73.02911	2.0
74.96819	1.6
77.03959	2.3
77.75311	1.5
79.05076	2.1
79.05497	32.0
79.60318	1.6
81.03418	100.0
81.07053	30.0
83.01344	8.0
83.04974	38.5
83.08614	16.0
85.02900	15.8
91.05476	27.2
93.07041	40.8
95.04981	13.3
95.08158	1.7
95.08615	17.7
97.02898	29.1
97.06521	10.4
97.10149	7.7
99.04439	12.0
99.72687	1.7
100.26477	1.8
101.02380	2.1
103.05508	1.7
105.07017	14.7
107.04961	19.5
107.08597	26.8
109.02879	30.9
109.06522	8.3
109.10168	12.8
111.04443	29.7
111.08084	9.3
117.07006	12.3
119.04955	1.7
119.08585	15.9
121.06533	3.3
121.10151	19.3
123.04416	2.1
123.08036	7.7
124.87769	1.7
125.05991	4.0
125.09630	6.0
127.03915	19.9
129.07008	4.1
130.07759	2.5
131.08560	8.1
133.10136	4.6
135.04442	2.3
135.08109	3.8
135.11687	23.1
137.09554	2.2
139.07538	2.4
143.08537	2.5
145.06425	2.0
145.10115	24.0
147.04390	5.7
147.08051	4.0
147.11693	3.4
149.09575	2.4
153.12738	24.0
155.08466	2.4
161.05928	2.8
163.11177	41.8
173.09560	6.6
181.12233	27.5
189.11221	5.2
191.10689	18.9
209.11694	16.8
227.10539	3.1
227.12773	53.0
265.14200	2.6
267.15704	1.9
279.88043	1.6
283.15396	79.6
299.15894	1.9
301.16486	3.0
311.14914	3.3
317.13577	3.0
353.15973	14.6
359.27286	1.7
407.18561	1.8
409.18430	3.4
427.19690	24.3
473.25110	3.1
491.26328	18.1
509.27536	11.1
625.80469	1.9
635.30634	32.3
653.31390	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3528
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03937	10.3
55.01875	5.7
55.05508	21.6
57.03426	11.4
64.56522	2.5
66.22735	2.5
67.05500	42.8
69.03426	12.8
69.07062	9.8
69.31246	23.2
71.04982	7.2
79.05074	4.5
79.05495	62.8
81.03421	78.4
81.07055	51.5
83.04984	24.8
83.08619	24.5
85.02911	16.0
91.05483	60.1
93.07044	53.6
95.04973	33.9
95.08617	21.2
97.02856	12.2
97.06516	7.1
97.10183	6.7
99.04427	4.6
105.07033	40.8
107.04936	10.2
107.08598	22.8
109.02859	10.1
109.06499	8.7
109.10163	12.1
111.04431	5.9
111.08076	7.8
116.98675	3.2
117.07005	11.0
119.08572	29.3
121.06523	6.9
121.10123	9.7
123.08013	7.0
127.03914	7.2
129.05481	3.0
129.07008	19.0
129.16711	2.3
131.08560	12.7
133.06537	3.5
133.10130	14.5
135.11679	6.5
143.08513	10.3
144.46431	2.6
145.10135	9.0
147.08002	5.4
147.11685	36.0
149.09540	4.0
157.06615	2.7
157.10112	8.2
161.09612	4.1
161.13303	6.4
163.11250	5.6
171.11714	18.9
175.11172	9.1
189.12708	6.6
193.12225	32.1
207.13837	18.4
211.13280	38.7
211.27444	3.1
227.12729	7.0
267.15894	35.1
281.17462	55.1
283.15308	2.9
285.16953	13.2
355.17606	6.5
393.19498	2.5
398.09521	2.8
429.21225	23.8
473.29050	100.0
491.30164	19.2
495.59921	2.6
545.28094	3.2
635.34326	53.7
653.34167	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	653.2971
Annotation	Haplophytine
Peak:m/z	Relative Intensity
55.35247	0.6
67.05506	0.8
69.07086	0.8
70.88911	1.1
70.89230	0.6
74.09715	1.1
81.07067	0.7
95.08640	0.8
106.36750	0.6
176.85710	0.6
232.60918	0.6
254.36885	0.7
376.16907	0.8
377.17719	1.2
390.18552	1.8
391.19226	3.3
392.19861	1.6
404.20358	1.1
405.20706	6.5
406.21530	6.0
407.22040	0.8
419.22430	2.8
420.23160	5.2
421.23895	10.0
433.19391	3.7
434.24854	1.1
435.18079	1.1
436.19217	2.2
445.20074	1.0
447.21390	1.1
449.19467	1.3
450.20697	2.0
451.21204	1.6
452.22177	2.7
460.22614	1.8
463.21542	1.4
465.22879	35.8
473.19894	2.3
475.25061	1.0
477.26569	0.9
478.23627	0.9
479.24521	6.1
480.24969	3.1
487.21213	1.9
488.22119	3.6
491.20901	1.9
492.21460	2.1
501.23083	1.3
503.24432	39.8
504.24796	1.3
505.22125	1.0
507.27795	2.3
524.40509	0.9
533.25647	1.7
535.27069	35.0
551.26587	5.4
561.24927	2.7
579.26050	32.6
593.27515	1.7
594.28406	16.1
621.27124	21.7
653.29718	100.0
654.29614	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	653.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	15.0
55.01882	21.5
55.05513	38.6
57.03444	19.1
57.07068	4.9
59.04991	3.3
61.02907	1.7
61.57941	1.2
65.03931	3.5
67.05511	60.1
69.03088	2.2
69.03436	32.9
69.07066	13.6
69.17638	16.8
70.06604	2.4
71.01349	5.7
71.05003	10.3
73.02917	5.2
77.03909	1.7
79.05497	55.4
81.03426	100.0
81.07064	42.1
83.01337	4.8
83.04985	30.4
83.08623	17.0
85.02911	28.3
85.06525	3.0
91.04910	2.4
91.05486	47.1
93.06485	3.2
93.07052	44.1
95.04974	33.0
95.08611	23.3
97.02300	2.6
97.02904	39.9
97.06549	13.3
97.10181	16.3
98.07320	2.4
99.04456	11.4
99.08105	3.0
101.02409	2.6
103.05465	1.7
105.07040	28.7
107.04961	21.9
107.08598	25.5
109.02892	24.0
109.06525	9.9
109.10170	16.7
111.04450	15.7
111.08092	10.8
115.03949	2.7
115.05453	3.8
117.05442	2.1
117.07042	13.6
119.04931	3.1
119.08588	20.9
121.06522	8.1
121.10152	13.7
123.04459	8.7
123.08041	11.0
125.02402	1.8
125.05991	2.1
125.09637	15.3
127.03928	19.1
128.06198	2.4
129.05504	2.8
129.07013	10.0
131.08568	13.8
133.06499	4.5
133.10114	11.9
135.04411	7.3
135.08061	4.7
135.11722	16.6
137.09610	3.2
143.08598	4.4
143.10510	2.0
145.06526	3.2
145.10146	21.8
147.04385	5.4
147.08041	5.5
147.11690	11.1
149.09625	6.1
151.11230	3.3
153.05487	4.4
153.09198	3.1
153.12761	13.6
157.10124	7.1
159.11723	3.4
161.09648	4.0
163.03880	2.2
163.11198	31.1
171.06494	2.1
171.11720	6.2
173.04498	11.1
173.09615	6.9
173.11832	2.4
175.11189	9.5
181.12282	11.6
181.13651	2.1
183.06586	2.6
183.11765	2.0
189.11211	5.8
189.12727	3.9
191.10654	11.6
193.12238	14.2
199.06064	5.7
199.13318	2.7
205.12337	1.5
207.13788	3.3
209.11736	20.3
211.13312	14.4
223.11098	1.6
223.13271	2.6
227.12730	21.6
229.14371	4.8
263.12839	2.6
265.14398	3.1
267.15933	10.2
281.14334	2.3
281.17523	10.0
283.15445	24.3
285.17087	3.4
289.14297	3.5
311.14807	2.0
353.16068	9.5
364.14520	1.9
409.18588	2.7
425.18149	1.8
425.24896	2.1
427.19696	5.5
429.21390	1.8
437.25284	11.7
443.19241	1.9
473.29297	14.3
491.26590	6.6
509.27399	2.0
581.29370	2.6
635.31085	9.5
636.31744	3.1
653.31494	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02726	0.8
55.05525	1.2
57.07083	1.5
67.05502	2.7
69.07078	1.0
71.08626	0.8
71.39651	1.9
79.05508	0.8
81.02769	0.7
81.07059	2.8
91.05507	1.9
93.07053	1.9
95.08627	2.5
96.08971	0.9
109.10171	1.2
112.99940	0.9
121.10181	0.9
121.68416	0.9
209.10693	1.1
223.12285	1.2
224.12953	1.0
389.17554	1.2
390.18585	1.8
391.19330	1.8
403.19434	2.5
404.19919	4.6
405.20752	9.5
415.19571	1.1
417.20779	2.6
418.21808	1.6
419.22296	7.4
420.23141	3.8
431.22739	1.9
432.23083	2.3
433.24011	6.6
434.24850	3.4
435.18112	1.5
445.20068	1.3
447.21509	3.0
448.26544	1.3
449.19366	5.8
450.20624	1.9
457.20547	1.1
462.20850	1.6
463.21066	4.6
464.22208	4.7
465.22818	2.0
471.18085	1.1
473.19092	1.0
475.21576	2.5
477.22812	3.7
478.23587	3.6
479.24472	32.5
480.25034	1.1
487.21481	4.9
491.24356	3.0
492.25482	1.5
493.26587	1.0
501.23035	4.2
502.23416	2.1
505.25565	1.1
506.27054	1.7
507.27502	18.6
519.23853	3.1
521.22083	1.1
524.40485	2.5
533.25592	4.7
537.25104	11.5
541.38544	1.2
550.26581	1.2
551.26569	30.7
552.26843	2.3
560.24341	2.9
561.25226	6.1
562.25714	1.2
565.28149	15.2
566.28888	60.8
567.29156	3.3
575.26477	7.1
588.23480	1.8
593.27594	10.5
603.26160	1.4
621.27063	11.6
635.28589	14.1
636.29370	1.0
653.29724	100.0
654.30176	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	653.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53978	0.3
51.02377	0.5
53.03934	0.7
55.01859	1.2
55.88983	0.2
57.03185	0.3
57.03421	1.5
57.59631	0.3
59.04975	0.3
61.02923	0.8
65.56693	0.2
69.03427	4.0
69.90777	1.0
71.01334	0.4
73.02919	3.2
77.03931	0.9
77.05477	0.3
78.41507	0.3
79.05482	2.6
81.03411	2.5
85.02905	8.9
87.04462	0.4
91.05481	1.6
93.07051	0.9
95.04955	1.0
95.13564	0.3
96.36353	0.3
97.02889	6.0
99.04430	0.6
102.44577	0.3
103.05463	3.8
105.03387	1.0
105.04531	0.4
105.07023	3.9
107.04939	1.4
109.02888	1.2
111.04465	0.3
115.03904	1.9
115.05446	1.1
117.07023	0.9
119.04965	0.7
121.06506	2.5
127.03908	2.5
128.06236	0.8
129.06992	1.5
131.04924	13.6
133.05038	1.7
133.06493	24.1
134.03664	0.3
135.04410	100.0
136.04668	0.6
143.04936	0.7
143.08563	1.6
145.04982	1.8
145.06464	3.0
149.05974	10.8
157.06493	2.6
159.04428	0.5
159.08136	0.3
160.05214	0.8
161.05980	21.9
163.06038	1.0
163.07539	1.2
171.08020	2.1
172.05269	0.3
173.05991	3.7
175.07538	1.7
179.07021	0.8
185.06000	1.0
186.06699	1.5
187.07510	6.5
199.07625	0.6
201.09105	5.2
205.08574	1.9
207.08096	0.4
213.09102	0.3
215.07033	1.0
217.08420	0.4
219.10153	0.9
220.08911	0.3
227.07101	0.3
235.11224	1.3
241.06955	0.3
245.09596	0.5
248.08234	0.6
259.08182	0.5
263.10669	1.4
293.11697	12.7
308.10428	1.0
323.12769	60.5
324.13113	1.0
341.13840	13.3
637.13336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2809
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
55.30553	0.6
55.81102	0.6
67.05354	2.0
69.06981	0.8
71.04413	1.6
79.05346	0.7
81.06953	1.2
81.07346	0.7
83.08508	0.8
85.02763	0.8
93.06922	1.1
95.08421	4.3
105.06922	0.7
107.08414	0.7
109.09961	1.1
121.09974	0.9
215.12552	2.8
216.12901	1.0
251.95137	0.7
259.46426	0.7
265.37473	0.6
292.26636	0.6
313.27090	2.2
314.27469	1.6
330.77017	0.7
337.27411	0.9
385.14145	0.7
387.15787	0.9
388.17828	0.8
391.19226	1.0
392.62070	0.7
399.15906	1.9
400.16666	2.7
401.17587	3.5
402.18921	0.9
405.20575	0.8
407.22070	2.8
412.17862	0.8
413.17188	2.4
414.18585	4.6
415.19357	7.4
416.20361	1.1
417.20715	1.0
419.18124	0.9
425.17703	1.3
427.19324	1.6
428.19821	2.8
429.21213	8.2
430.21371	1.9
431.18311	0.9
434.20935	1.0
435.21350	0.9
441.17160	1.6
443.18112	3.7
443.22458	3.9
444.18839	5.2
445.19940	2.8
447.17239	0.7
453.35672	1.4
454.35892	2.2
456.19495	1.0
457.20609	4.8
458.21045	3.4
459.17615	1.4
469.16415	1.3
471.22308	5.7
472.23093	5.3
473.19363	4.6
474.20499	1.9
484.18381	1.0
485.19757	1.8
486.20386	6.9
487.21173	2.8
488.22083	1.1
489.22482	2.0
490.20123	3.0
498.20685	1.1
499.21225	11.6
500.22836	3.4
502.19339	1.1
503.24689	4.5
514.20062	1.2
516.21429	1.6
517.22278	6.8
518.19788	0.7
521.25195	1.0
527.20807	2.0
528.21240	1.4
531.23969	15.6
543.23779	1.2
549.25043	4.4
559.23413	82.5
560.23413	1.8
587.22974	13.1
591.26288	0.9
592.26428	0.8
619.25494	100.0
620.26050	1.6
633.40253	0.9
651.28137	24.5
651.39099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.05277	1.2
55.05515	14.0
57.03441	12.4
57.07081	1.3
59.05001	2.4
65.03934	2.4
66.50854	1.2
67.05506	15.3
69.03418	3.6
69.07072	8.3
69.46973	6.8
71.01359	1.5
71.04996	65.2
73.02930	2.3
75.04475	4.9
77.03944	1.3
79.05491	14.5
81.03412	3.4
81.06590	1.9
81.07063	31.3
83.04992	6.5
83.08623	6.7
85.02908	81.2
87.04441	2.2
88.87549	1.0
91.05477	14.9
93.07049	24.1
95.04966	7.1
95.08613	33.4
97.02897	2.3
97.06525	4.0
97.10186	2.3
98.21638	1.2
99.04471	1.7
99.08089	5.1
99.08674	1.1
105.07036	35.9
107.04976	1.5
107.08596	35.7
109.02892	1.8
109.06495	3.4
109.10159	19.2
111.04426	4.3
111.08102	1.3
115.05499	1.2
117.07021	5.0
119.04927	1.3
119.08587	49.9
121.06501	1.6
121.10147	21.6
123.08074	4.0
123.11715	5.5
123.93115	1.2
125.09627	3.4
128.06216	1.5
129.05490	19.3
129.07008	3.6
130.07768	1.6
131.08569	26.1
133.08908	3.4
133.10132	26.3
134.09659	2.0
135.08040	1.8
135.10022	2.0
135.11679	12.3
137.09573	1.5
138.59303	1.2
141.07016	2.2
142.07764	2.5
143.08562	15.7
144.09367	2.1
145.10133	40.3
146.05981	1.6
147.04326	1.8
147.06468	6.7
147.11691	21.3
148.11214	31.1
149.09689	1.6
149.11559	17.2
149.13275	14.6
149.14400	1.9
150.11818	2.6
151.11128	1.7
153.09097	3.0
155.08545	4.6
156.09384	1.5
157.10149	17.9
158.10986	1.6
159.06491	3.5
159.11699	28.4
161.09595	1.8
161.13268	17.4
163.03745	1.1
163.07532	3.6
163.11168	3.4
163.14815	8.1
169.10165	8.9
170.10869	1.6
171.11684	14.4
173.13261	24.3
175.11148	1.4
175.14822	22.4
177.12753	1.4
177.16409	4.8
181.10208	2.3
181.12206	2.4
183.11722	7.7
185.13246	21.8
187.14822	35.1
189.05473	4.8
189.12842	2.5
189.16385	10.7
191.14366	1.8
193.15828	1.9
195.11681	3.8
197.13242	8.7
199.14833	29.5
201.12802	1.4
201.16393	29.3
203.14351	11.6
203.17964	4.4
205.12292	1.3
205.15912	7.7
207.11639	1.3
209.13255	7.0
211.14880	8.8
213.16411	20.0
215.14366	3.1
215.17932	4.8
217.15871	8.2
219.13812	2.6
219.17477	4.7
221.13280	2.3
221.15292	2.7
223.14894	6.3
225.16405	7.6
227.17976	7.0
228.22261	1.6
229.16049	1.4
231.13878	2.3
231.17424	5.0
233.15388	5.0
235.14928	2.1
237.16420	7.3
239.17990	7.3
241.19495	2.8
243.17458	1.9
245.15407	5.6
247.17024	5.8
249.14676	5.9
251.17957	3.5
253.19614	6.4
259.17014	4.3
263.17877	1.3
265.19501	2.5
267.21069	3.6
269.19022	1.4
277.19586	2.2
279.21213	6.5
281.22629	4.3
285.18509	2.1
291.21060	2.0
293.22580	1.6
295.23993	1.3
299.20319	1.5
299.23730	2.1
306.73068	1.3
317.22900	2.0
323.27136	1.9
325.21616	3.4
327.23138	2.5
333.25769	2.2
345.25717	1.3
349.28864	3.7
351.26920	2.1
353.24738	2.3
355.26279	1.7
367.26163	2.2
367.30087	2.7
375.30600	1.9
387.30457	14.2
389.32062	2.2
395.29443	17.6
405.31561	56.7
407.33090	2.8
413.30292	5.5
421.31183	7.3
423.32617	26.1
425.34244	2.6
433.31027	51.7
439.31989	3.8
441.33426	3.2
451.32095	100.0
452.32721	1.5
469.33121	44.3
487.34290	8.4
489.11771	3.7
505.34995	3.3
522.02142	1.2
551.37543	1.7
597.37274	1.6
615.38995	1.8
651.30444	2.3
651.40649	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.2
57.03432	1.7
57.07071	3.7
67.05500	9.8
69.03429	1.7
69.07071	15.0
79.05479	7.5
81.03422	2.3
81.07058	23.4
83.08637	9.9
85.02909	2.8
91.05501	9.6
93.07045	21.2
95.04940	3.1
95.08605	40.7
97.06551	1.8
97.10162	4.7
100.04057	1.7
105.07034	24.7
107.08594	35.8
109.10159	24.7
112.28082	1.4
117.07018	4.3
119.08581	42.4
121.06481	2.0
121.09327	2.6
121.10148	34.7
123.11697	9.4
129.06970	1.7
131.08574	8.7
133.08900	9.4
133.10130	42.6
135.11699	27.3
137.13222	3.4
141.01805	1.5
143.08598	3.3
145.10114	16.2
147.11703	19.9
148.11211	96.0
149.11475	2.0
149.13280	11.7
151.07545	2.1
151.11162	1.8
157.10109	3.0
159.11681	16.8
161.13261	13.9
163.03880	3.3
163.14796	13.5
171.11768	3.7
173.13272	6.9
173.61963	1.6
175.14825	14.0
177.12807	1.7
177.16376	7.9
179.14279	2.0
180.29681	1.5
183.11731	2.5
185.13309	4.2
187.14807	11.1
189.16377	32.2
191.17950	100.0
197.13280	2.0
199.14880	3.8
201.16379	49.5
203.14217	2.0
203.17958	27.3
205.15849	2.0
205.19531	6.0
211.14857	2.6
213.16400	4.3
215.17947	4.7
217.19481	7.5
219.17439	6.2
219.21049	1.6
227.17892	2.8
229.19489	2.8
233.15376	2.3
243.21140	1.7
245.15327	4.9
247.16946	24.5
249.14851	2.8
255.21115	3.4
259.16983	2.2
263.16486	1.7
265.18008	2.5
284.41492	1.6
391.33624	6.0
407.24701	1.8
409.34625	5.6
437.34238	35.2
438.34201	2.1
455.35190	82.0
613.39313	2.1
649.34406	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	649.3018
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
54.51608	0.0
56.05017	0.1
62.57401	0.0
65.03895	0.1
69.39586	0.3
70.06561	0.1
71.07356	0.1
78.90813	0.0
79.05497	0.2
91.05467	1.2
103.05476	0.3
104.06255	0.3
105.07029	3.3
115.05434	0.1
116.06234	0.1
117.07021	0.1
118.06561	0.3
120.08109	0.7
130.06480	0.1
131.04909	0.1
131.07332	0.1
132.08084	1.1
133.08867	10.3
134.09264	0.0
136.07602	0.1
143.45695	0.0
144.08080	0.1
146.06032	0.2
146.09593	0.3
147.10425	0.1
148.11201	100.0
149.11572	0.5
193.13440	0.1
259.68994	0.0
282.11072	0.1
293.13034	0.1
295.18045	0.1
355.13199	0.1
367.18347	0.1
439.67255	0.0
457.17792	0.1
502.19922	0.1
604.24457	0.5
621.30890	0.1
649.30194	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	649.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01886	0.9
55.05514	4.5
56.96594	0.8
57.03437	2.3
60.58935	0.7
60.70450	0.7
65.03952	1.0
67.05505	11.4
68.53844	0.8
69.03437	3.1
69.07072	3.4
69.97769	0.8
71.04984	1.5
71.55752	1.1
79.05494	6.2
81.03426	5.1
81.07055	7.2
83.05000	1.1
83.08635	2.5
85.02926	2.0
91.05478	7.6
93.07041	7.4
94.77828	0.9
95.04986	3.2
95.08607	5.5
97.02914	1.6
97.06567	1.5
97.10201	1.2
98.97627	0.9
105.07043	6.7
107.08585	5.1
109.06554	0.8
109.10138	5.2
111.08099	0.9
117.07050	2.2
119.05000	2.1
119.08567	5.6
121.06492	0.9
121.10146	3.8
123.08086	1.4
125.09660	1.3
126.85610	0.9
127.03918	0.9
129.06984	1.9
130.07813	0.8
131.08617	3.0
133.08923	2.1
133.10162	3.4
135.08101	1.6
135.11685	2.0
140.69362	0.7
141.96510	0.8
142.07768	0.9
143.08620	1.7
145.06468	1.0
145.10162	3.6
147.04387	5.1
147.11719	2.4
148.11215	23.0
148.12300	1.2
149.09673	2.1
151.07564	1.0
153.07108	0.9
155.08615	1.7
157.10178	2.5
159.08119	0.9
159.11729	2.2
163.03978	2.7
163.11201	1.5
169.10144	1.0
171.11746	1.6
173.11830	1.0
173.13338	1.3
177.05551	0.9
183.11720	1.4
187.14915	1.8
189.11246	0.9
193.12122	0.9
199.14917	1.3
221.15350	1.3
226.16380	1.0
227.13145	0.9
229.07593	1.4
229.14441	1.9
265.19775	1.0
283.15164	7.6
333.20560	3.4
339.17892	3.1
367.22717	1.0
375.42340	0.9
385.23892	1.2
389.23206	2.0
479.26682	0.9
487.34512	3.8
559.32855	2.2
595.36700	1.0
613.37549	1.3
631.38501	1.8
649.39355	100.0
650.39630	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
55.42799	0.2
57.83997	0.2
61.71857	0.2
61.98417	0.2
69.47318	0.8
69.47743	0.9
75.92920	0.2
76.70963	0.3
85.02878	0.3
88.87732	0.2
97.02886	0.3
98.97565	0.3
103.56145	0.2
107.08637	0.3
131.69246	0.2
148.11252	0.5
156.12021	0.3
163.03879	0.3
185.04341	0.4
203.05266	1.0
251.12094	0.3
259.07809	1.3
303.05084	0.4
311.88702	0.2
325.16315	1.8
347.09485	0.7
359.00958	0.5
365.10571	2.3
377.01804	3.6
395.03067	0.7
421.13275	1.1
487.21524	22.1
488.21896	0.3
490.19284	0.3
547.07544	0.4
559.20154	0.5
649.11597	9.6
649.26776	100.0
650.11688	0.9
650.27100	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76556	0.3
64.51503	0.2
69.03428	0.6
71.54465	0.3
73.02908	0.3
77.12299	0.3
81.03423	0.4
83.08657	0.4
84.01521	0.3
85.02905	0.9
87.04495	0.3
91.05492	0.4
93.07035	0.5
97.02866	0.4
98.97610	0.3
105.07089	0.3
119.04941	0.5
121.10174	0.5
121.95416	0.2
127.03931	0.4
133.10268	0.3
137.06036	0.3
147.04372	0.4
148.11244	1.2
159.11771	0.2
163.03957	0.3
177.05475	0.4
183.11694	0.5
185.04469	0.3
210.11867	0.3
259.07901	0.5
269.12439	0.4
303.05188	0.6
325.16241	3.1
347.09729	1.3
421.13098	0.3
429.41641	0.3
487.21539	25.1
488.22049	0.3
617.25586	0.5
649.26801	100.0
650.27576	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68047	3.1
53.03942	7.0
55.01876	4.6
55.05505	17.1
57.03425	4.7
61.02892	4.5
65.03951	3.1
67.05509	18.6
69.03419	8.8
69.07068	22.7
70.06576	4.2
71.04969	4.4
71.55376	3.1
73.02903	5.3
79.05486	20.5
80.82564	3.5
81.03404	9.7
81.07057	63.5
83.08603	7.4
84.01388	3.4
84.08128	3.6
85.02911	29.2
87.00803	3.6
91.05475	30.3
93.07046	55.2
95.01315	13.6
95.04969	8.2
95.08607	83.4
97.02890	10.3
97.06515	20.8
97.10147	5.0
97.95488	3.3
99.04466	3.3
105.07030	69.6
107.08599	81.7
109.02866	6.7
109.06552	7.8
109.10161	45.1
109.11892	3.6
111.08071	12.0
117.07018	7.1
119.04932	4.3
119.08584	100.0
121.06528	11.8
121.10146	43.9
123.08055	7.3
123.11678	13.3
125.09644	3.7
127.03884	9.5
128.06233	3.4
129.06989	7.3
131.08566	43.6
133.06451	3.2
133.10135	88.6
135.04453	4.4
135.08113	5.8
135.11690	27.0
137.05942	4.4
137.09547	3.3
141.01825	29.7
142.07780	5.2
143.08559	22.8
145.10120	83.5
147.04416	7.1
147.11703	75.8
149.09608	6.8
149.13264	27.6
153.09061	6.6
155.08568	7.4
156.09392	5.3
157.10143	37.2
158.10916	4.8
159.11705	73.2
161.05910	3.9
161.09637	4.1
161.13268	44.1
163.03932	19.8
163.11235	6.2
163.14804	34.6
167.10623	4.4
169.10149	5.7
171.11705	25.8
173.13284	37.9
175.14824	57.7
177.05510	6.0
177.16386	42.5
179.10670	4.4
182.10999	3.3
183.11720	6.2
184.12462	4.3
185.13240	13.9
187.11195	4.7
187.14838	70.1
189.05547	6.5
189.09073	7.5
189.12782	4.3
189.16365	72.7
191.14331	5.9
191.17947	7.8
193.15900	10.0
197.13237	12.6
199.14818	52.0
201.16389	55.6
203.14352	5.0
203.17953	79.6
205.15869	45.9
205.19485	8.9
207.17366	8.1
211.14935	9.7
213.14658	4.0
213.16431	36.1
215.07043	8.2
215.14296	3.9
215.17931	20.4
217.15831	34.3
219.17406	15.1
221.19003	3.8
223.16988	9.9
225.16403	6.7
227.17941	10.1
229.15941	4.6
229.19366	3.9
231.17406	10.8
233.19078	4.6
235.16913	15.1
236.68681	3.6
237.16295	6.6
239.18013	7.9
241.19542	11.5
243.11288	6.5
243.21091	6.4
245.18808	3.9
247.17001	8.1
249.18553	38.2
253.19521	7.1
259.09766	18.4
259.17020	5.9
275.19965	3.7
281.22620	5.2
285.12534	4.3
301.03296	4.0
303.04562	7.3
313.03458	11.5
327.22733	4.6
329.24554	6.1
349.28748	8.4
355.08353	7.4
377.31909	9.8
381.19150	5.7
389.32047	18.0
395.29309	29.1
399.10779	52.3
407.33133	64.7
409.34015	3.9
417.31580	4.5
423.32599	23.6
425.34137	14.6
435.32523	83.8
453.33636	71.3
471.34784	12.6
527.56293	3.4
555.95361	3.9
565.35333	4.9
583.36499	4.7
611.36017	7.1
629.36273	5.3
647.25940	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	645.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28022	1.7
52.52408	1.7
53.03942	5.1
55.01881	2.2
55.05513	14.5
57.03427	3.6
57.07059	3.6
57.27746	1.7
62.74670	2.1
65.03935	2.5
67.05508	39.8
69.07072	13.7
71.05006	2.2
71.08632	37.9
71.55241	2.7
79.05493	43.7
81.03408	6.7
81.07060	45.0
83.04536	2.0
83.04988	8.1
83.08620	9.9
84.33012	1.9
85.06523	2.4
91.05481	25.1
93.07047	52.1
95.04932	6.4
95.08608	36.9
97.06514	8.8
97.10142	2.5
99.08099	22.0
105.07028	20.1
105.76445	1.8
107.02172	2.1
107.04950	8.2
107.08595	23.6
108.09106	1.8
109.06482	2.1
109.10177	13.9
111.08093	2.3
113.09660	2.5
117.06960	4.2
119.08593	15.7
121.06512	2.6
121.10156	25.2
123.08081	2.2
123.11653	2.0
131.08566	4.7
133.10120	11.7
134.14372	1.8
135.11691	27.4
137.09615	3.8
141.09081	4.4
143.08565	3.2
143.98154	1.7
145.10109	4.8
147.11687	5.3
149.13301	8.8
151.11192	13.3
159.11726	4.7
161.13292	14.3
163.11156	8.2
177.12749	2.6
179.14310	100.0
189.12744	2.1
199.14830	1.7
221.15324	3.0
234.52559	1.8
235.16963	4.1
244.85677	2.0
259.20554	3.8
277.21634	75.2
295.22574	3.6
346.91998	2.0
351.25293	61.7
357.56827	1.9
406.83890	1.9
533.39661	2.9
547.39655	8.0
596.00519	2.1
606.28851	2.4
627.46222	79.4
645.24634	5.1
645.45172	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	645.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
57.03436	0.7
57.07081	2.4
58.63348	0.3
67.05502	1.4
69.07069	0.9
70.01315	1.5
71.08633	2.1
79.05475	0.7
81.07064	1.7
83.08617	0.7
85.10199	1.1
89.06055	0.5
91.05481	0.7
93.07055	0.7
95.08611	1.1
98.21492	0.6
105.07059	0.6
107.08645	0.5
109.10112	0.6
126.92470	0.3
133.08630	0.3
133.88794	0.3
135.11693	0.3
151.87491	0.3
155.63196	0.3
158.21541	0.3
173.05061	0.3
200.37187	0.3
208.08559	0.3
264.57382	0.3
276.05344	0.3
313.27374	0.7
333.20352	5.3
389.23120	3.0
389.27664	0.5
533.42181	1.2
544.53229	0.4
547.39825	0.4
636.25226	0.4
645.47034	100.0
646.47284	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.0
53.03931	3.1
55.01866	5.8
55.05514	5.0
57.03433	8.0
65.03955	0.9
67.05508	5.5
67.85680	1.0
69.03428	8.9
69.07053	2.7
69.18569	8.4
69.18982	2.1
71.01343	4.3
71.04981	2.8
73.02917	5.5
75.04492	1.3
79.05486	15.1
81.03427	7.9
81.07063	5.6
83.04980	3.1
85.02428	1.5
85.02903	18.6
89.09059	0.9
91.05471	17.8
93.07040	21.2
95.01313	8.8
95.04971	11.5
95.08617	2.0
97.02900	13.4
97.06519	5.3
98.03237	1.3
99.04453	6.6
101.02379	1.0
103.03925	3.8
103.05462	2.4
105.07028	38.0
107.04937	7.7
107.08611	5.7
109.02882	4.3
109.06502	3.7
111.04440	1.4
113.02339	3.3
113.06013	2.0
115.05445	3.5
116.06238	1.1
117.07012	13.1
119.04942	9.5
119.08574	8.5
120.05742	1.6
121.06502	35.6
121.10114	1.9
123.04438	1.1
125.05986	2.1
127.03913	5.1
128.06216	4.0
129.05478	2.6
129.06990	8.4
130.07784	6.8
131.03351	2.5
131.04909	3.6
131.08562	23.1
133.06483	5.5
133.10129	7.5
134.99503	0.9
135.04393	6.0
135.08058	1.8
136.07478	1.2
137.05948	3.0
139.07521	2.0
141.01845	10.4
141.06943	5.1
142.07808	2.6
143.08565	13.7
144.09349	9.3
145.02727	1.5
145.05345	1.7
145.06477	14.6
145.10120	70.1
146.07249	1.5
147.04373	6.9
147.08035	2.7
147.11687	3.4
149.06015	1.5
153.06952	2.5
154.07755	5.7
155.08546	7.4
155.10672	1.0
157.06534	3.6
157.10127	9.2
158.07243	9.8
159.02866	1.7
159.04443	1.1
159.08066	21.6
159.11693	53.4
160.12204	1.0
161.05963	2.3
161.09616	2.4
162.11734	1.0
163.03929	4.0
163.07512	1.3
164.07068	2.2
165.05463	1.3
165.06937	1.7
167.07082	2.2
167.08482	2.0
169.06380	1.2
169.08719	2.0
169.10106	23.6
171.08035	5.9
171.11642	7.8
172.08838	9.2
173.09616	44.2
175.11217	2.4
177.05443	3.9
178.07878	1.5
179.07077	2.2
179.08569	4.3
181.06528	1.5
181.10083	1.7
182.07230	2.2
183.11737	2.3
185.09564	4.9
187.11176	100.0
189.05437	4.2
189.12743	3.3
191.10612	3.0
193.10138	1.3
195.10028	2.0
195.11691	1.8
197.09602	16.6
199.09532	1.4
199.11157	2.9
201.12718	1.3
203.10716	1.7
205.12248	9.2
205.17470	1.1
207.06497	2.0
207.10234	1.3
209.09639	1.1
211.11183	2.9
212.04242	1.2
213.09085	2.9
215.07179	2.8
215.10664	90.5
216.11006	1.1
223.11023	1.1
229.12152	1.9
233.11703	12.8
235.11182	1.9
237.12891	1.0
239.10732	1.8
251.12846	1.6
257.11722	2.1
259.09680	3.4
261.14832	1.5
265.12091	1.4
265.14542	1.3
269.11639	1.6
279.15967	6.1
289.14319	50.1
299.12720	1.5
303.04987	1.7
304.05420	1.2
307.15402	48.8
309.11130	1.6
311.12808	1.2
317.13901	1.3
327.12305	1.2
331.15463	2.3
335.14935	1.8
337.10782	1.1
341.13861	1.9
349.16428	1.8
359.15009	3.2
373.12759	1.2
377.15897	6.7
415.17633	1.9
419.16602	1.4
433.18561	3.5
447.16388	2.1
451.19662	9.8
465.17471	3.9
469.20523	14.2
483.18643	18.9
505.50403	1.2
622.16705	1.4
627.22540	2.9
645.23138	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.7
55.01873	7.6
55.05514	38.2
56.96558	4.2
57.03442	18.7
65.03931	4.8
65.90466	3.4
67.05513	77.4
69.03423	9.1
69.07073	35.6
71.04988	11.0
71.08614	3.9
71.54676	5.1
79.05493	77.7
81.03426	96.4
81.07067	85.8
83.04978	17.0
83.08627	34.4
85.02914	4.2
85.06543	7.3
91.05493	64.3
93.07054	67.6
95.04972	42.2
95.08614	39.3
97.02879	6.9
97.06500	16.7
97.10177	17.9
105.07047	53.4
107.04960	14.2
107.08605	49.3
109.06527	7.2
109.10158	21.3
111.08083	13.4
116.58346	3.5
117.06999	16.8
119.08593	42.2
121.06493	7.7
121.10157	29.2
123.08074	9.7
125.09632	13.6
129.06987	16.6
131.08566	37.0
133.06491	8.1
133.10143	27.4
135.08043	4.9
135.11688	20.6
137.09604	7.0
142.07784	5.1
143.08527	8.1
145.10135	23.2
147.08041	6.4
147.11656	19.5
149.09601	14.9
149.13275	9.0
149.75595	3.4
155.08560	6.9
157.10138	17.7
159.08081	5.1
159.11685	11.8
163.11148	13.3
165.12732	4.4
169.10120	5.2
171.11765	7.0
173.11736	7.0
173.13231	4.0
175.11150	10.5
177.12735	4.1
184.07382	5.0
185.13297	4.8
189.11194	5.8
193.12225	25.2
195.13853	6.3
209.11673	5.5
211.13280	7.8
227.12733	15.9
229.14282	7.0
255.15909	13.0
257.19119	5.5
267.15909	100.0
269.17419	30.3
275.20105	27.0
283.15436	4.5
285.09824	4.4
285.16986	8.7
293.21088	6.9
297.22058	4.6
349.23792	21.8
367.24850	7.0
368.16974	4.4
369.24631	5.0
437.25043	8.4
443.27841	14.0
447.27271	26.9
461.28998	94.4
477.28342	16.5
479.30185	4.5
493.31491	12.6
531.89197	4.6
541.35211	32.4
546.38708	9.2
559.36285	14.2
644.36523	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	644.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
54.49157	0.5
55.01866	0.6
55.05502	4.5
57.03442	3.2
61.02924	5.9
64.11295	0.4
67.05501	4.3
69.03418	1.7
69.07072	2.3
70.98361	1.0
71.04977	1.5
73.02908	2.1
79.05493	5.7
81.03419	28.5
81.07058	7.6
83.04981	4.8
83.08157	0.7
83.08622	10.2
85.02901	13.0
85.06489	0.7
91.03423	0.6
91.03959	7.4
91.05482	9.1
93.07045	4.3
95.04970	9.9
95.08594	1.4
97.02893	5.7
97.06522	1.3
97.10149	1.2
99.04456	1.0
99.08078	0.6
105.06387	0.6
105.07037	6.6
107.04948	2.3
107.08603	2.3
109.02857	0.8
109.06498	1.6
109.10161	1.0
111.04424	0.7
111.08082	5.9
113.06005	0.8
115.03878	0.6
117.07027	0.7
119.08575	5.6
121.06481	0.9
121.10111	2.4
123.08031	1.1
123.11691	0.5
125.09650	0.5
127.03926	2.5
129.07016	3.5
131.08539	3.3
133.06493	0.9
133.10147	4.7
137.09567	0.7
142.07779	1.0
145.02858	0.6
145.04938	3.0
147.08034	0.8
147.11687	6.9
149.09671	2.6
149.50233	0.4
157.10129	6.6
163.06017	5.6
163.11201	0.6
165.12746	1.8
166.71245	0.4
167.07193	0.5
175.11194	8.2
176.64586	0.5
193.12245	32.7
211.13293	29.4
216.87050	0.4
229.14424	0.9
267.15918	15.0
285.16962	100.0
286.17178	0.6
297.60629	0.4
301.74878	0.5
303.17990	1.2
324.01877	0.5
429.21115	1.6
447.22113	0.8
626.24933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01862	0.6
55.05515	3.9
57.03437	4.7
59.04980	0.3
61.02648	0.4
61.02928	5.3
65.03941	0.3
67.05184	0.4
67.05506	6.1
69.03427	2.4
69.07072	1.7
71.04990	1.8
71.39591	0.3
73.02925	2.1
79.05064	0.5
79.05492	5.9
81.03419	25.4
81.06589	0.5
81.07056	7.8
83.04494	0.4
83.04978	5.3
83.08618	8.7
85.02906	14.6
85.06545	0.8
90.54424	0.3
91.03957	4.9
91.04903	0.5
91.05479	9.9
93.07043	5.1
95.04370	0.5
95.04971	10.0
95.08613	2.7
97.02895	4.5
97.06525	1.1
97.10182	1.3
99.04440	0.7
105.07029	6.5
107.04951	1.7
107.08598	2.4
109.02843	0.5
109.06512	1.4
109.10126	0.8
111.04432	1.4
111.07387	0.4
111.08093	5.0
113.06010	0.8
115.03925	0.4
115.05433	0.6
117.06995	0.4
119.04969	0.3
119.08585	6.4
121.06506	0.5
121.10145	3.7
123.08057	1.0
123.11679	0.9
125.06075	0.2
125.09607	0.4
127.03929	1.8
127.07572	0.3
129.07007	3.4
131.08574	3.6
133.06500	1.7
133.10136	4.1
135.11697	0.5
137.09579	0.4
142.07800	0.6
145.04965	1.9
145.10098	0.7
147.08037	1.2
147.11684	6.7
149.09616	2.7
157.10130	6.4
163.06009	3.3
163.11197	0.3
165.12796	1.3
175.11188	6.8
193.12251	24.6
194.38460	0.3
211.13298	17.1
212.13562	0.3
228.06595	0.3
229.14339	0.4
232.71718	0.3
267.15933	7.0
285.16968	100.0
286.17258	0.9
321.96063	0.3
411.20081	0.6
429.21210	2.0
436.14722	0.4
441.14691	0.3
447.22311	3.2
495.73282	0.3
575.87115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52663	0.3
56.38871	0.3
67.05494	0.3
87.30408	0.3
98.21614	0.5
111.61310	0.3
114.35828	0.3
151.59396	0.3
195.64230	0.3
545.38452	0.3
643.25281	100.0
644.25812	3.8
663.18689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00673	0.3
53.03942	1.0
55.01874	0.7
55.05275	0.3
55.05518	3.8
57.03196	0.4
57.03440	4.6
58.85568	0.3
59.05007	0.3
59.12041	0.3
61.02653	0.5
61.02931	6.3
65.03922	0.4
67.05144	0.4
67.05508	6.6
69.03429	2.5
69.07074	2.3
70.71212	0.7
71.05001	1.7
73.02926	3.0
79.05499	7.2
79.72527	0.3
81.03423	24.5
81.06599	0.5
81.07064	8.7
83.04986	5.1
83.08158	0.6
83.08624	8.6
83.73529	0.3
85.02909	15.4
85.06537	0.7
87.04479	0.6
91.03964	4.9
91.05489	8.7
93.06573	0.4
93.07056	4.8
95.04376	0.6
95.04972	9.8
95.08614	2.7
97.02890	4.8
97.06531	1.4
97.10168	1.5
97.93086	0.3
99.04472	0.6
99.08072	0.5
105.07037	7.5
107.04974	2.5
107.08605	2.5
107.39153	0.3
109.02900	0.4
109.06531	2.0
109.10146	1.2
111.04440	1.3
111.08086	4.3
113.06013	0.8
115.05472	0.5
115.96732	0.3
117.07033	0.5
119.04919	0.6
119.07813	0.5
119.08590	6.8
121.06519	0.6
121.10143	3.0
123.08089	1.0
123.11712	0.8
125.09658	0.4
127.03902	1.5
127.07575	0.4
128.98665	0.3
129.05516	0.4
129.07008	3.2
131.08574	3.8
133.06506	1.0
133.10124	4.1
137.09579	0.5
142.07751	1.0
145.04961	2.1
145.10039	0.5
147.08035	1.0
147.11707	6.7
149.09637	2.0
151.11157	0.3
157.10139	6.1
162.04353	0.4
163.06023	3.1
165.12762	1.5
171.04996	0.3
175.11182	7.1
193.12256	23.0
211.13309	15.7
228.06602	0.4
229.14380	0.5
237.02820	0.3
248.58165	0.3
267.15939	7.2
285.16980	100.0
285.82690	0.3
286.17294	0.9
334.54675	0.3
393.19141	0.5
410.07394	0.4
411.20123	0.7
429.21030	2.2
436.14883	0.9
447.22226	3.3
631.63184	0.3
644.21289	0.6
660.58759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01872	13.8
55.05516	37.1
55.35883	1.6
55.52097	1.6
57.03437	17.9
57.07077	1.9
59.04995	6.3
63.20543	1.4
63.62939	1.8
64.06332	1.6
65.03943	2.0
67.05508	67.3
69.03423	4.5
69.07070	11.1
71.05000	7.4
71.08646	2.2
71.55224	2.2
73.02918	1.4
79.05494	27.5
81.03426	19.5
81.07059	42.8
83.01337	9.3
83.04983	17.9
83.08624	22.0
85.02915	13.1
85.06536	2.6
87.04485	7.5
91.05492	25.2
93.07049	28.8
95.04977	11.1
95.08616	14.2
97.02884	4.1
97.06534	9.5
97.10175	14.5
99.04475	2.4
99.08096	2.3
100.08112	1.7
105.07032	12.9
107.04975	8.5
107.08602	22.6
109.06518	6.7
109.10164	42.2
111.04449	3.1
111.08099	4.1
117.07014	10.3
119.08572	14.4
121.06508	4.3
121.10158	11.5
123.08085	7.6
125.06034	2.2
125.09653	14.2
129.05476	4.2
129.07010	3.2
131.08563	6.8
133.10135	5.6
135.08049	3.0
135.11694	14.4
137.09589	3.4
143.08572	2.4
143.10683	1.9
145.10136	16.4
147.08025	2.4
147.11665	1.6
149.09665	2.6
151.11211	1.8
153.12741	5.6
155.10611	3.1
163.11200	31.8
173.09637	4.3
173.11737	13.6
181.12271	4.7
191.10663	7.5
193.12267	2.4
199.13292	9.0
209.11732	16.7
227.12793	12.1
229.14369	43.8
267.15933	3.0
283.15405	100.0
301.16483	12.5
367.71072	1.6
384.64120	1.6
399.23697	13.1
407.24115	1.9
423.24173	1.6
425.25330	4.2
437.25293	25.2
509.27429	5.9
548.27167	1.7
551.25897	2.1
571.94250	1.9
583.85840	1.7
607.34961	9.7
624.28802	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	642.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36538	0.3
51.54116	0.4
55.01868	1.5
55.05510	3.0
57.03439	2.4
59.04999	0.6
61.02929	3.2
67.05507	4.3
69.03416	1.6
69.07056	1.9
69.39951	1.9
69.40366	1.1
70.06590	0.7
71.04988	1.0
73.02923	2.4
79.05492	6.3
81.03423	2.9
81.07063	5.8
83.01326	0.9
83.04961	1.4
83.08614	3.6
85.02916	5.3
91.03977	3.1
91.05485	2.8
93.06490	0.7
93.07047	8.9
95.04965	2.8
95.08613	10.4
97.02898	4.8
97.06528	1.4
99.04467	2.0
103.05486	0.4
105.07051	2.5
107.04968	3.1
107.08601	9.1
109.02871	0.7
109.06499	0.9
109.10159	1.1
111.04433	1.4
111.08130	0.5
117.07006	3.0
119.08573	4.0
121.06512	1.8
121.10149	5.1
123.08056	0.8
125.05995	0.9
127.03914	1.5
131.08578	0.7
133.10107	1.7
135.08096	0.9
135.11699	18.3
139.07599	0.5
145.02713	0.5
145.04982	1.0
145.10123	11.1
147.04417	1.6
153.12773	0.9
163.03969	0.5
163.05988	1.4
163.11189	25.9
167.07033	0.6
173.09569	0.8
177.05342	0.5
181.12244	5.8
191.10706	0.9
193.12140	0.4
209.11714	1.9
215.05815	1.4
227.12788	35.0
282.11270	1.4
282.14633	0.8
283.15408	100.0
284.15784	1.1
285.17130	0.6
286.17310	0.5
287.05667	0.6
300.16003	2.9
301.16446	2.1
353.15894	0.5
399.01547	0.4
414.63837	0.5
427.19525	0.8
445.20746	2.7
449.98288	0.5
462.21109	1.3
591.18994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01871	3.9
55.05278	2.5
55.05515	26.3
57.03438	21.2
61.02909	2.3
65.03926	3.8
67.05508	64.7
69.03430	16.3
69.07072	22.6
71.05009	12.3
71.54055	2.9
73.02922	2.3
79.05076	4.0
79.05499	49.5
81.03422	100.0
81.07060	86.5
83.04983	33.0
83.08623	32.6
85.02926	15.5
85.06531	2.6
90.32175	2.2
91.05481	46.1
93.06490	4.6
93.07050	63.5
95.04977	27.2
95.08607	21.2
97.02882	17.2
97.06550	14.9
97.10162	6.9
99.04444	5.9
99.08090	5.0
105.04546	2.4
105.07037	24.9
107.04945	9.1
107.08598	33.4
109.02894	12.7
109.06524	8.1
109.10143	7.1
111.04432	12.9
111.08079	20.2
117.07016	9.4
119.08584	21.3
121.06488	5.0
121.10152	27.8
123.08022	4.6
123.11665	5.9
125.09631	4.3
127.03899	8.9
129.05453	6.9
129.07021	13.6
131.08566	17.8
133.06491	3.0
133.10176	14.8
135.11708	7.8
137.09570	4.0
142.07808	3.6
143.08476	2.6
145.10114	6.0
147.08083	5.0
147.11705	14.3
149.09688	4.4
149.13254	28.6
151.11195	3.6
157.10152	13.3
159.11687	12.9
160.43739	2.3
163.11127	3.4
165.12755	5.1
175.11169	17.8
177.12735	8.1
181.12195	2.9
181.32297	2.5
193.12245	40.0
195.13824	13.0
211.13316	49.9
227.12773	5.3
229.14354	4.2
249.14832	3.8
265.49698	2.4
267.15948	35.7
269.17484	75.6
285.17050	14.5
339.18350	2.3
355.17346	6.7
379.58856	3.0
396.02435	3.4
411.19974	2.7
413.21780	3.8
429.21210	20.2
435.27087	4.2
461.28995	97.9
473.61630	2.7
479.30026	61.5
571.40784	2.9
623.24640	4.8
623.34247	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2966
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05514	2.6
55.73041	1.1
57.58279	1.2
58.66921	1.2
67.05506	4.9
69.89185	6.4
79.05490	3.3
80.88525	1.3
81.03408	1.7
81.07056	3.6
83.04995	1.8
91.05479	5.2
93.07047	5.0
95.04950	1.3
95.08610	2.7
105.07014	3.4
107.04927	1.3
107.08614	2.3
109.10175	1.5
117.07022	1.5
119.08577	3.0
131.08594	1.6
133.10158	1.6
137.98335	1.3
177.47488	1.4
196.30324	1.1
210.11470	2.6
211.12239	2.4
223.12273	1.6
224.13264	1.8
225.13849	1.6
227.11952	2.0
237.13863	2.1
239.11807	1.6
239.15562	1.8
275.19986	2.1
289.17780	1.3
304.17883	1.4
305.18875	1.4
313.15436	1.9
321.12518	1.5
332.17676	1.7
384.16809	1.9
387.19513	1.4
391.19424	1.9
392.19946	3.2
393.20758	2.2
402.18594	1.7
404.20386	1.6
405.21039	1.3
406.21289	3.5
407.22092	6.7
412.16556	2.8
417.21082	1.9
419.22421	1.8
420.23212	2.2
421.23914	6.6
422.24271	9.5
433.23959	2.6
434.17996	2.3
434.24408	7.0
435.22070	2.2
444.19171	3.8
449.23395	2.0
459.21237	2.0
462.20175	2.9
463.21140	11.2
475.21188	4.2
476.21222	1.9
477.22867	6.9
487.24417	2.6
491.24463	3.7
494.26614	1.9
495.26950	1.8
520.21185	2.3
521.26227	1.6
545.25208	7.5
547.26910	8.2
549.25031	14.9
550.26001	6.7
561.21027	2.0
563.26465	4.7
564.26910	1.3
576.23303	2.0
591.16589	2.1
591.26044	44.5
592.25177	1.4
605.27557	6.3
609.26917	15.4
623.28674	100.0
624.28082	1.5
641.28711	15.5
641.44696	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	640.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
54.59879	1.4
55.01883	3.0
55.05519	17.8
57.03440	13.8
57.07077	39.9
60.20714	1.5
65.03934	2.6
67.05511	47.9
69.03421	1.9
69.07069	26.0
69.88062	7.9
71.04999	3.0
71.08639	27.4
79.05072	2.7
79.05496	33.0
81.03436	2.2
81.07057	62.6
83.04973	8.1
83.08624	16.1
85.06543	2.9
85.10186	15.6
89.06049	2.1
91.04974	2.7
91.05486	31.3
93.07053	33.8
93.42596	1.6
95.04993	10.2
95.08611	43.6
97.06554	9.3
97.10191	8.4
98.20768	2.2
99.08123	1.7
100.37968	1.5
105.07040	23.5
107.04973	4.2
107.08611	20.4
109.06439	3.8
109.10159	15.4
111.08071	2.9
111.11703	2.2
113.09688	1.5
117.07031	11.9
117.49548	1.6
119.08593	17.3
121.06510	2.4
121.10160	12.2
123.08097	3.2
123.11713	4.5
125.09650	2.4
126.05450	1.5
129.07021	4.3
130.07770	2.3
131.08575	12.0
133.10138	14.8
135.08067	4.5
135.11681	10.3
137.09621	2.4
143.08565	3.8
145.10141	8.5
147.11670	6.8
149.09625	6.3
149.13258	6.9
157.10159	3.9
158.67856	1.5
159.11703	8.9
160.33319	1.4
162.42444	1.9
163.11189	4.5
164.23137	1.7
164.38548	1.5
171.11732	3.0
173.13245	2.8
177.12784	2.1
183.00385	1.5
185.13164	2.7
195.13799	3.6
196.61092	1.5
217.15863	1.6
234.97295	1.8
239.23663	3.1
251.16579	2.7
255.15926	15.0
257.18964	8.9
257.24576	2.3
267.15997	2.9
269.17480	21.4
275.20071	28.5
276.20233	2.1
291.19403	2.9
293.20953	2.7
313.27396	82.4
331.22781	3.1
347.24878	1.8
349.23718	23.2
493.38840	16.8
505.38809	4.6
507.40472	100.0
508.40842	2.7
547.43658	8.7
587.46747	17.7
605.47705	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	640.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07146	1.6
52.15384	1.7
53.03936	2.1
55.01870	2.6
55.05512	27.1
56.94778	1.9
57.03445	8.3
57.07079	21.4
58.39542	1.6
63.70725	1.7
67.05504	30.1
67.10851	1.7
69.03423	2.2
69.07077	8.3
69.70879	10.1
70.06567	3.3
71.04982	2.5
71.08625	12.5
79.05492	27.6
81.07056	28.0
83.04980	3.9
83.08619	15.2
85.06554	2.1
85.10174	6.9
87.26835	1.7
90.56490	1.8
91.05476	17.5
93.07049	17.3
94.69370	1.7
95.04958	2.8
95.08609	19.7
97.10166	36.3
98.20790	3.3
105.07016	18.8
107.04951	2.0
107.08602	34.0
109.06503	3.7
109.10178	10.9
111.08099	3.6
117.07021	6.9
119.08599	13.1
121.10149	6.0
123.11718	3.1
125.09629	24.9
129.06992	2.8
131.08534	6.2
133.10132	6.1
135.08037	4.2
135.11685	3.6
143.08572	2.1
145.10115	12.4
147.11702	8.6
149.09650	3.3
156.72372	2.3
157.10193	2.2
159.11682	6.1
161.13240	2.4
163.11151	2.1
173.13335	2.7
185.13292	7.2
189.11218	14.7
201.16370	1.9
203.14322	2.3
219.17448	4.6
227.12778	100.0
239.18044	2.2
257.19012	8.6
267.15833	5.2
275.20056	30.1
313.27371	60.9
331.22687	5.7
349.23752	39.0
461.55453	1.8
483.36874	9.4
582.43567	3.2
587.38025	3.1
587.46704	40.6
588.46613	2.1
640.48022	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	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
54.09921	1.4
55.01868	1.7
55.05513	25.1
57.03436	20.2
57.07078	40.4
58.45087	1.3
59.05000	1.7
65.03947	1.3
66.35526	1.3
67.05510	48.3
69.03430	2.2
69.07069	25.2
69.96693	1.2
70.75140	4.3
71.05002	8.5
71.08631	29.1
77.77007	1.2
79.05495	37.2
81.03407	4.2
81.07059	48.1
83.04994	8.1
83.08619	22.1
85.06541	3.0
85.10187	14.3
88.62442	1.3
89.06010	2.7
91.05485	32.5
93.07047	37.5
93.07635	2.3
95.04978	7.7
95.08612	41.1
97.06545	9.1
97.10171	15.2
99.08099	1.7
103.05491	1.6
105.07033	24.0
107.04967	3.4
107.08601	25.6
107.12495	1.3
107.90095	1.5
109.06528	6.0
109.10162	21.9
111.08082	7.9
111.11750	2.3
116.68691	1.4
117.07010	11.8
119.08578	19.7
121.06550	3.2
121.10146	16.3
123.08089	4.4
123.11713	5.6
125.09641	8.3
129.07005	7.6
131.08594	17.7
133.10115	13.8
135.08037	3.3
135.11703	5.8
137.09642	3.1
137.13235	1.7
139.11185	4.2
143.08589	5.9
145.10127	12.8
147.11646	9.2
149.09641	7.9
149.13248	2.4
153.09167	1.8
157.10156	4.0
159.11688	11.9
161.09695	1.8
161.13243	4.5
163.11172	4.2
167.10661	2.7
169.10199	1.5
171.11716	6.2
173.11905	1.4
173.13316	6.5
175.11224	1.6
176.68152	1.5
177.12785	3.2
178.26625	1.6
183.11719	2.5
185.13301	5.3
187.14856	4.7
189.11198	4.3
189.12759	4.5
191.14301	2.1
197.13199	1.8
201.16428	2.2
203.12772	5.6
203.14368	3.9
205.15887	3.6
213.14864	6.8
219.17395	2.0
221.15442	2.5
223.16853	2.8
227.12805	3.9
229.19389	2.6
239.17891	5.3
239.23643	3.4
241.14301	4.1
247.20534	2.8
255.15903	3.7
257.19000	12.6
267.16193	1.4
269.17529	4.0
275.20074	51.0
277.61282	1.3
291.19421	1.8
292.19858	2.4
293.21106	11.6
313.27371	100.0
314.27670	1.8
331.22412	2.0
349.23807	12.4
367.24951	12.6
389.31943	1.4
451.37738	4.3
493.38885	3.9
505.38837	3.2
507.40646	12.4
587.46912	8.2
605.47626	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	639.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.2
55.01880	16.1
55.05510	27.9
55.05940	1.9
56.96563	2.8
57.03444	16.3
57.07071	2.0
58.14332	1.6
59.05011	1.7
60.41946	1.7
61.02922	3.3
65.03947	8.7
67.05508	56.2
69.03432	22.4
69.07071	18.5
70.13655	4.7
71.01369	2.3
71.04993	11.8
73.02922	4.6
78.86572	1.6
79.05498	45.0
81.03423	80.8
81.06588	3.6
81.07063	68.6
81.60772	1.5
83.01326	3.0
83.04987	33.4
83.08627	18.0
85.02916	14.3
85.06541	4.1
88.31819	1.9
91.03992	2.4
91.05483	38.9
93.06484	3.2
93.07045	52.1
93.21099	1.9
94.07330	1.7
95.04976	17.0
95.08605	26.6
95.17252	1.9
97.02900	23.1
97.06528	13.6
97.10175	4.9
98.20834	3.0
98.97539	2.0
99.04451	9.8
99.08110	3.1
101.02375	1.8
103.05460	3.3
105.07034	20.6
107.04965	14.5
107.08599	31.5
109.02900	22.8
109.06541	7.9
109.10172	10.3
111.04454	16.5
111.08094	7.9
115.05458	2.8
117.06993	11.2
118.83176	1.6
118.95335	1.7
119.04971	1.7
119.08586	14.3
121.02889	4.8
121.06483	6.5
121.10143	19.7
123.04433	1.9
123.08070	6.8
123.11675	2.1
125.09617	6.2
127.03924	16.0
129.05476	4.6
129.07001	7.0
131.08580	14.9
133.06514	4.0
133.10115	11.3
135.04439	2.2
135.08067	3.5
135.11702	17.4
137.09627	3.5
139.03894	2.8
143.08597	3.5
145.06491	1.9
145.10124	15.7
147.08051	5.6
147.11687	10.0
149.02356	100.0
149.03413	5.3
149.09677	4.9
149.13271	18.3
153.12758	10.3
157.06467	1.8
157.10149	2.5
159.11661	8.4
161.09625	2.2
161.13293	2.4
163.03926	6.2
163.11166	19.8
165.12746	4.3
173.04472	6.8
173.09566	4.0
175.11119	2.3
177.05386	2.0
177.12790	6.1
181.12260	9.6
189.05540	2.0
189.11345	2.4
191.10652	13.1
193.04968	73.4
193.12233	6.8
194.05235	2.2
195.12219	1.8
195.13698	11.0
203.94997	1.6
209.11768	7.8
211.13260	3.0
213.14824	2.3
219.06595	2.2
227.12787	27.0
229.07507	1.8
233.15268	2.7
237.07578	69.4
237.15076	1.9
238.07936	2.3
241.75201	1.7
251.30107	1.8
261.14761	2.1
265.14270	4.3
267.16058	5.0
269.10883	2.8
269.17496	39.3
275.20020	2.3
283.15433	30.2
285.10211	3.0
287.11383	1.7
313.07089	2.1
329.14041	1.9
335.15030	2.5
337.14661	2.2
339.18002	3.7
341.06531	5.4
348.65302	2.0
353.16000	7.9
367.17514	2.1
385.09070	12.5
385.23734	2.1
395.20609	2.3
413.21600	5.8
427.19720	19.0
429.11923	22.2
429.18158	2.9
459.27451	7.9
470.40268	1.8
477.28488	50.0
492.15329	2.8
495.29468	6.4
527.97778	1.8
577.13501	15.3
578.12988	2.6
603.31067	2.6
621.16357	24.0
621.32605	50.2
622.16492	2.0
639.33386	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	639.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01864	5.3
55.05510	17.8
57.03183	1.0
57.03435	8.5
61.02893	0.7
65.03936	2.3
67.05502	23.5
69.03423	11.7
69.07066	6.2
70.35357	0.6
71.01356	1.2
71.04990	6.6
75.52200	0.6
79.05489	26.5
81.03415	100.0
81.07054	28.7
81.07446	0.4
83.04976	19.5
83.08617	23.8
83.69321	0.7
85.02902	21.5
85.06534	2.4
91.05477	29.9
93.07034	16.1
93.09014	0.6
95.04969	25.2
95.08599	9.6
97.02886	12.8
97.06537	4.3
97.10156	7.6
99.04437	3.5
99.08099	1.5
103.05479	0.9
105.07026	23.1
106.07305	0.6
107.04955	8.5
107.08588	8.2
109.02876	15.1
109.06520	4.3
109.10149	4.0
111.04437	12.7
111.08079	10.7
113.06004	2.0
115.05463	1.8
117.07023	5.1
119.04922	1.4
119.08579	18.1
121.06481	3.2
121.10146	11.2
123.04436	2.1
123.08092	2.3
123.11683	2.8
125.05989	1.0
125.09605	4.0
127.03921	6.8
127.35132	0.7
128.06166	0.9
129.05470	1.7
129.06996	11.9
131.04918	1.7
131.08553	10.9
133.06477	3.7
133.09023	1.2
133.10120	8.4
135.04424	1.0
135.08064	1.5
135.11711	3.3
137.06012	1.3
137.09599	2.7
141.06984	1.4
142.07788	2.5
143.08571	1.8
145.06482	1.4
145.10143	4.1
147.04385	2.2
147.08049	3.8
147.11684	17.6
147.12810	1.2
148.11198	5.7
149.05945	1.7
149.09592	6.4
149.11591	1.8
151.07452	0.7
153.12747	2.4
155.08560	1.7
157.06487	0.6
157.10129	12.9
157.11314	1.1
159.08064	1.1
159.11679	1.0
161.05986	0.9
161.13304	0.6
163.11137	5.4
165.12732	4.3
169.10196	0.6
171.11708	0.8
172.95894	0.6
173.04514	2.0
173.05933	0.8
173.09639	1.4
175.11192	13.3
177.05484	0.9
181.12164	3.5
183.06493	0.7
185.09599	0.8
185.13324	0.8
187.07552	0.8
187.11322	0.9
189.05591	1.0
189.11180	1.6
189.12723	0.7
191.10683	2.9
193.12236	37.4
197.09467	0.7
199.03943	0.8
205.12219	0.9
207.13855	0.9
209.11732	1.5
210.61629	0.6
211.13284	58.6
217.12399	0.7
223.13232	0.7
227.12689	5.2
229.14250	1.4
231.13800	0.7
233.15421	0.9
235.13364	0.8
237.12869	1.0
247.11049	0.7
247.13428	0.8
249.14929	1.6
251.16507	0.6
255.13870	1.4
259.13266	1.2
263.16537	0.7
265.14288	1.1
266.55936	0.6
267.15906	24.8
273.14853	2.8
277.14413	1.6
283.15387	2.1
285.16980	14.4
289.14517	0.8
291.16040	0.7
301.14221	5.1
303.04932	0.6
309.17139	1.0
313.16245	0.7
319.15494	2.2
337.16397	3.2
347.18793	0.6
349.21649	0.9
355.17575	7.3
367.22742	2.2
375.18079	1.9
385.23743	4.1
393.19131	3.1
403.24698	1.6
411.20230	6.9
429.21313	5.2
438.42429	0.5
441.26706	0.8
459.27362	13.4
459.33765	0.9
477.28436	17.5
495.29514	15.9
511.28583	2.1
519.29663	1.9
529.27698	0.7
555.29260	0.7
561.30548	2.3
567.29620	1.2
573.30481	1.3
585.30566	3.7
603.31567	4.8
621.32642	15.5
639.33716	56.0
640.33997	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.5
52.03149	0.5
53.00263	0.5
53.03946	4.6
55.01868	5.6
55.05511	18.1
57.03192	0.7
57.03441	8.4
61.02931	0.6
65.03941	2.0
67.05505	25.2
69.03425	12.7
69.07065	7.3
71.01343	1.2
71.04991	6.3
73.02917	0.8
75.37938	0.4
77.03934	1.0
79.05492	24.1
81.03418	100.0
81.07055	26.1
83.01324	0.4
83.04486	1.2
83.04981	20.3
83.08617	22.2
85.02908	21.6
85.03442	0.8
85.06536	2.5
87.04477	0.8
91.05478	32.4
93.07043	18.3
95.04967	28.5
95.08607	9.8
97.02892	14.6
97.06528	5.9
97.10160	6.9
99.04443	3.4
99.08093	1.5
103.05465	1.7
105.04521	0.7
105.07032	27.0
106.07361	0.6
107.04964	7.5
107.08595	9.6
109.02879	14.6
109.06531	6.1
109.10171	4.2
111.04446	14.3
111.05205	0.9
111.08080	9.4
113.06004	2.5
115.05475	2.0
117.07003	4.4
119.04941	1.5
119.08577	18.5
120.08120	1.7
121.06516	4.2
121.10143	9.8
123.04469	2.1
123.08049	2.6
123.11718	3.0
125.05973	1.2
125.09636	4.3
127.03922	8.6
127.07577	0.9
128.06215	1.1
129.05556	2.2
129.07008	11.1
131.04964	1.3
131.08568	11.3
132.08104	0.7
133.06532	4.3
133.08893	9.8
133.10138	9.8
133.11087	0.7
134.09204	3.3
135.04442	0.9
135.08089	1.7
135.11684	2.8
137.06001	1.4
137.09631	1.8
141.07016	0.7
142.07753	2.7
143.08556	1.2
145.06531	2.1
145.10120	5.0
146.18068	0.5
147.04422	2.0
147.08076	4.4
147.10521	0.7
147.11691	16.6
148.11208	96.2
149.06044	1.5
149.09734	6.3
149.11555	33.1
151.03867	0.6
151.11234	0.6
153.12698	2.7
155.08556	1.1
157.06509	0.9
157.10138	14.0
159.08022	0.8
159.11798	1.0
160.86603	0.5
161.05910	0.7
163.03877	0.7
163.11180	3.6
165.12743	5.1
167.08588	0.8
171.08084	0.8
173.04472	1.5
173.05913	0.6
173.09630	1.1
175.11188	12.9
177.05479	0.6
181.10133	0.9
181.12277	3.3
183.06653	0.8
185.13292	0.8
189.05496	1.2
189.11301	1.3
189.12823	0.9
191.10741	2.2
193.12239	38.8
195.13913	0.7
199.11304	0.7
203.08307	0.5
203.10405	0.5
205.12323	1.0
207.13805	0.7
209.11674	1.0
209.13470	0.6
211.13289	53.7
213.12776	0.7
215.14304	0.5
217.12238	1.1
227.12717	4.6
229.14400	2.0
231.13844	0.9
233.15315	0.6
235.13379	1.6
237.14883	0.5
241.65750	0.6
243.13800	0.5
249.14748	2.5
250.76431	0.5
255.14008	0.5
257.15439	0.5
259.13266	0.6
259.59668	0.6
267.15936	22.1
271.13101	0.6
273.14807	2.5
277.14349	1.0
283.12845	0.7
283.15503	1.9
285.10217	0.6
285.16962	12.8
291.15909	0.8
301.14191	4.3
303.16003	0.5
309.17133	1.2
313.16296	0.7
319.15546	2.1
337.16769	2.6
345.17380	0.7
347.18954	0.5
349.21844	0.7
351.18274	0.6
355.17554	5.2
367.22812	2.1
375.18091	1.7
385.23727	2.8
393.19125	2.9
403.25076	1.6
411.20142	5.7
429.21445	4.2
441.26620	0.9
459.27411	11.4
475.36597	0.5
477.28467	14.9
487.24329	1.3
493.26453	0.8
495.29544	15.1
495.36429	1.0
511.29291	1.3
519.29797	1.5
561.30951	1.5
567.29755	1.1
573.30835	1.9
585.30780	3.6
603.31830	3.5
621.32654	14.2
639.33911	47.4
640.34247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
52.09246	0.8
67.05499	1.3
69.07072	1.1
70.84754	1.9
70.85124	2.1
71.74198	1.1
81.07021	1.4
91.05501	1.3
104.78023	1.0
109.10128	1.6
119.08613	1.1
165.69354	1.2
186.23804	1.0
349.50107	1.0
375.61917	1.0
377.17639	1.1
391.14734	1.1
391.19400	3.4
405.20764	7.9
406.21683	3.0
407.22864	1.0
419.22543	3.0
420.23215	3.7
421.24023	4.9
433.24536	1.7
436.19183	1.9
447.21512	1.5
449.19800	2.3
450.20605	1.5
452.21976	2.3
465.22861	34.5
477.26315	3.0
479.24768	4.2
480.25323	4.1
487.21591	1.4
488.22131	2.4
492.21640	2.9
493.26083	3.8
503.24475	22.2
519.24109	1.7
521.25549	13.8
537.25183	5.7
547.23383	1.5
565.24500	45.8
580.26880	13.9
607.25616	13.5
639.28137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35332	1.5
65.92661	1.8
76.01507	1.3
82.50971	1.4
92.41534	1.5
98.67088	1.6
120.07942	1.3
129.61945	1.4
130.59584	1.5
211.08849	1.6
223.12422	1.8
224.13268	2.0
225.13713	2.0
239.11856	1.9
266.14276	1.7
267.14896	2.0
379.19849	1.2
397.14044	1.5
417.20862	2.4
431.22906	1.8
433.17050	1.4
433.23935	5.6
435.18646	1.5
444.19559	5.5
445.20361	5.7
446.21030	1.7
459.21716	38.4
460.22577	6.1
461.23343	4.6
469.31424	1.3
473.23746	2.2
475.21219	2.0
493.22736	1.6
505.26099	1.8
519.23889	5.7
520.20587	2.3
546.26074	2.6
547.27142	19.4
551.26300	2.6
566.25360	2.2
579.25836	5.2
580.26788	2.3
593.23547	2.4
596.26129	3.3
606.28345	100.0
607.25580	17.8
611.28522	10.2
621.26740	2.1
622.27515	5.1
624.25732	3.1
639.28015	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.1
52.43363	0.1
53.03942	0.1
55.05517	0.2
56.05008	0.1
56.96552	0.1
57.03421	0.1
58.55354	0.1
60.04510	0.1
60.74569	0.1
61.02926	0.1
65.03922	0.1
67.05485	0.3
69.03429	0.2
70.06577	0.1
71.55611	0.1
73.75094	0.1
79.05498	0.6
81.03419	0.5
81.07053	0.3
83.04965	0.1
83.08620	0.1
85.02897	0.2
91.05478	1.4
93.07050	0.2
95.04977	0.3
95.08602	0.2
97.02901	0.2
97.06524	0.1
100.12364	0.1
103.05450	0.4
104.06275	0.2
105.07032	3.2
107.04942	0.1
107.08561	0.1
109.02860	0.1
115.05441	0.2
117.07040	0.2
118.06536	0.3
119.08564	0.2
120.08102	1.7
123.08116	0.1
127.03973	0.1
129.07005	0.1
131.04922	0.3
131.07248	0.1
131.08575	0.1
132.08069	1.2
133.08871	10.2
134.28917	0.1
135.11708	0.1
137.06004	0.1
141.06961	0.1
144.08102	0.2
145.10104	0.2
146.06029	0.2
146.09630	0.4
147.10501	0.1
147.11702	0.2
148.11208	100.0
149.11565	0.6
163.03952	0.2
163.11188	0.1
165.14418	0.1
176.07126	0.1
177.05432	0.1
185.10820	0.1
189.05470	0.2
205.12297	0.1
211.13286	0.2
214.80396	0.1
215.06773	0.1
241.08679	0.1
259.09720	0.1
267.15906	0.1
276.25281	0.1
295.18085	0.2
311.13867	0.4
321.15909	0.1
339.13339	0.2
384.22540	0.1
425.16959	0.1
445.21228	0.3
458.26263	0.1
473.20609	0.3
475.27136	0.1
476.27203	0.4
486.23944	1.5
496.45013	0.1
584.41980	0.1
638.28510	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	637.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.5
55.01867	10.1
55.05509	24.9
56.56299	1.8
57.03435	10.7
59.04998	2.2
61.02937	2.5
61.87572	1.5
65.03931	1.8
67.05511	28.8
69.03432	20.4
69.07066	9.6
70.11488	4.7
71.01344	2.2
71.04996	6.8
73.02911	2.1
75.67491	1.5
79.05502	31.0
81.03420	100.0
81.07061	24.2
83.01358	2.3
83.04983	26.2
83.08625	19.7
85.02906	17.6
85.06546	2.0
91.05483	24.7
93.07045	28.1
93.07577	2.7
95.04974	23.2
95.08592	13.9
97.02897	17.3
97.06538	6.2
97.10196	10.7
99.04460	6.1
103.05489	1.8
105.07034	19.0
107.04968	11.7
107.08598	14.1
108.55338	1.4
109.02874	22.6
109.06505	7.9
109.10172	5.4
109.52496	1.7
111.04451	16.9
111.08087	8.9
115.05352	1.7
116.28185	1.5
117.07034	10.3
119.08587	19.0
121.06515	5.2
121.10184	9.9
123.04435	4.1
123.08067	5.4
123.11736	1.8
125.05993	2.5
125.09653	5.3
127.03905	11.1
129.07047	8.9
131.04965	2.3
131.08586	9.9
133.06532	4.1
133.10147	8.8
135.08058	2.4
135.11713	11.4
137.06035	2.5
141.50670	1.5
143.08562	3.4
145.06473	2.9
145.10132	13.9
146.86974	1.6
147.04446	2.8
147.08044	3.5
147.11684	9.1
149.05949	2.3
149.09579	2.5
153.09204	2.6
153.12749	9.3
155.08533	2.4
157.10146	8.5
160.27370	1.5
161.05901	2.2
161.09642	1.7
163.11191	20.9
165.12776	2.0
173.04478	4.1
173.05956	1.7
173.09657	4.2
175.11220	8.0
181.12239	6.1
189.05428	3.1
189.11256	3.0
191.10733	7.0
193.12244	30.4
206.74648	1.6
209.11777	6.9
211.13292	46.8
227.12794	18.7
231.13820	2.1
235.13278	1.7
265.14502	2.7
267.15918	10.6
273.14920	2.7
277.14340	1.9
283.15387	12.3
285.17020	4.6
289.14374	3.0
301.14291	3.2
319.15610	3.2
337.16446	3.5
353.15945	3.2
355.17703	6.2
383.21887	8.3
391.17453	1.8
393.19089	2.3
401.23236	2.2
409.18555	4.0
411.20227	5.8
424.87161	1.4
427.19751	3.1
429.21259	1.8
457.25793	8.8
475.26926	25.3
493.27982	17.9
509.27429	2.2
517.28107	1.9
555.29016	2.2
583.28400	1.8
598.60309	1.7
601.30383	3.7
615.61285	1.5
619.30939	14.8
637.32159	98.8
638.32251	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76876	0.3
55.38917	0.4
65.89752	0.3
69.70129	0.7
69.70534	1.5
87.31392	0.4
91.60947	0.4
99.09165	0.4
163.39487	0.4
218.15352	0.4
224.13037	0.4
248.74814	0.4
273.13892	0.5
373.16010	0.4
374.16534	0.4
375.16443	0.6
386.15457	0.5
388.17664	0.7
389.18637	0.7
390.18515	0.6
391.19067	2.0
392.20013	0.9
399.16159	1.2
400.17096	1.1
401.17679	1.2
403.19623	1.1
404.20557	1.1
405.20822	3.9
406.21552	4.5
412.18161	0.7
413.17795	1.8
414.18610	2.6
415.19290	4.1
416.20526	0.9
417.20856	1.1
418.22159	0.5
419.17648	0.6
419.23047	1.9
420.23209	4.3
421.23874	8.9
427.19241	1.4
428.20078	2.4
429.15881	0.6
429.20883	10.1
430.22052	1.8
431.18723	1.4
431.23306	0.8
433.20059	2.1
433.24374	1.5
434.24643	1.6
441.21091	0.9
442.21570	1.6
443.22510	7.9
444.23575	3.0
445.19592	3.3
446.20987	1.4
447.18015	1.7
452.22192	0.7
455.18655	1.2
456.19556	1.6
457.23859	3.4
458.24954	5.8
459.21939	8.8
460.22778	5.0
461.19400	7.2
465.22989	0.5
470.21152	1.6
471.22455	2.1
472.22662	6.2
473.19562	1.7
473.23651	1.6
474.19598	0.5
475.20511	2.9
476.21939	6.2
477.26422	0.6
483.17963	0.5
485.23560	13.0
486.20367	2.9
486.24460	2.2
487.20776	2.1
488.22153	4.2
489.22989	1.3
490.24103	0.6
491.24408	1.1
492.25244	0.8
493.22134	0.5
498.20264	0.8
499.21201	1.2
500.22150	1.8
501.23019	0.5
502.23752	1.0
503.24423	19.4
504.22055	0.5
505.22330	1.1
507.27838	0.8
513.23022	3.2
514.23419	2.2
517.26129	8.8
519.23767	1.1
529.26093	2.1
531.23419	0.5
535.27106	24.3
536.27216	0.5
545.25513	76.1
546.25830	1.7
547.27008	0.7
549.25366	1.0
562.25360	0.4
563.26501	5.5
573.25043	17.6
574.25446	0.7
577.28064	0.9
578.28308	2.4
605.27612	66.8
606.27948	1.3
637.30231	100.0
638.30481	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66797	0.6
54.71986	0.6
59.06108	3.4
59.09216	0.7
60.04519	0.8
71.08627	0.8
95.08582	0.8
96.22481	0.6
101.07132	4.0
147.29106	0.7
157.75409	0.7
159.75122	0.7
337.48242	0.7
346.22482	0.9
403.19473	1.3
417.21048	1.6
419.22412	2.0
420.22943	1.1
430.17294	1.4
431.18277	4.5
443.18805	2.5
444.19415	2.9
445.20108	10.4
446.21115	2.3
458.20996	8.6
459.21780	7.2
460.22772	7.0
461.19510	3.9
462.20111	0.9
475.21393	2.2
476.22427	1.4
477.23056	2.6
491.24496	2.5
503.24481	1.0
505.22540	0.8
517.22418	1.8
518.23285	7.1
531.24512	1.2
533.25439	2.5
535.23187	1.5
545.25586	3.1
546.26196	1.6
549.25317	1.0
573.25250	1.1
577.27618	2.8
587.22760	1.0
605.27661	14.7
619.25537	1.0
637.30219	100.0
638.30133	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07033	0.3
59.83704	0.3
59.91364	0.3
67.05450	0.8
67.48160	0.3
69.75571	0.9
69.75980	0.9
79.05444	0.5
81.07006	0.5
95.08583	0.4
106.06467	0.4
187.59843	0.3
200.00616	0.3
201.22934	0.3
221.10574	0.4
229.43027	0.3
246.11540	0.4
249.10063	0.4
257.10568	0.5
356.52957	0.4
361.15622	0.5
371.12646	0.4
373.16092	0.4
374.16632	0.3
375.17062	0.4
377.17700	1.0
378.18271	0.9
379.19183	0.3
384.14389	0.4
385.14584	0.7
386.15356	1.1
387.16147	0.7
388.17514	0.8
389.18289	0.7
390.18964	0.6
391.19287	2.0
392.20029	0.7
393.20627	2.1
398.16376	0.5
399.16183	1.9
400.16895	3.2
401.17679	3.4
402.18564	0.9
403.19556	0.6
405.20856	0.7
406.21530	0.5
407.22272	3.2
411.16364	0.6
412.17642	0.5
413.17804	3.1
414.18726	3.6
415.19382	9.0
416.19757	1.5
417.20621	1.1
418.18640	0.4
421.20416	2.6
425.17569	0.9
426.18817	0.4
427.20135	1.8
428.20422	3.3
429.15891	0.6
429.21301	7.8
430.22037	2.5
431.18527	0.5
433.20401	0.6
435.21725	1.9
436.22379	0.4
439.19525	0.7
441.17188	1.3
442.17856	1.5
443.18015	2.3
443.22427	4.9
444.18707	5.2
445.20508	2.3
446.21442	0.5
447.17899	1.0
447.22897	0.5
455.18564	1.1
456.19772	1.8
457.20569	5.6
458.21091	3.8
459.22742	0.7
461.19586	0.8
463.20926	0.5
469.16083	0.7
470.16974	0.7
471.22446	6.5
472.23297	4.9
473.19653	4.3
474.20441	1.0
475.21219	0.4
483.18207	0.5
484.18930	1.0
485.20074	2.3
486.20444	6.1
487.21213	3.0
488.22104	1.2
489.22641	1.3
490.19653	2.4
491.20520	0.7
498.20285	0.5
499.21371	9.7
500.23160	2.4
501.23157	0.5
502.19885	1.0
503.24814	4.3
513.18848	1.9
514.20105	1.2
515.20447	0.4
516.21393	1.3
517.22308	3.6
518.20398	0.4
521.25665	0.6
527.20837	2.8
528.21600	1.2
530.23053	0.4
531.23962	13.8
539.39520	0.5
541.22528	0.8
543.24030	1.9
544.20923	0.7
545.22040	0.9
549.24969	1.0
559.23419	82.5
560.23547	1.6
577.23718	0.4
587.22919	15.1
605.23859	0.8
619.25513	100.0
620.25629	1.9
637.26532	14.8
637.42468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17471	1.3
67.05499	2.0
71.15513	1.8
71.15842	1.3
81.07078	1.7
82.76269	1.0
94.12077	1.1
109.10155	1.9
212.34016	1.2
247.08185	1.2
264.97256	1.2
321.19598	1.2
362.16559	1.3
377.17407	1.3
391.19373	2.8
392.19901	2.8
393.21384	2.3
400.17117	1.3
401.17639	3.6
406.21701	1.4
407.22318	7.1
413.17618	2.1
414.18661	3.5
415.19238	4.8
419.18573	2.1
421.20438	3.4
425.17880	1.8
428.20193	2.9
429.20898	4.9
430.21683	2.5
435.21909	4.7
443.18719	3.8
443.23584	1.6
444.19168	3.3
445.20529	2.1
447.17786	1.8
457.20679	2.7
458.21017	2.4
461.18991	2.1
471.22165	7.4
472.22903	3.2
473.19757	3.1
474.20642	2.4
474.94415	1.2
475.17300	1.7
485.19864	3.4
486.20691	4.7
489.23520	2.2
490.20087	3.9
499.21396	8.4
500.22116	2.0
503.25034	3.1
513.19147	7.0
516.22028	1.7
517.22412	14.5
527.20660	2.3
528.22241	1.4
529.22015	1.8
531.24487	12.8
545.21924	1.7
549.25031	7.2
559.23456	56.7
577.24200	2.8
587.23077	11.9
591.26062	4.2
605.24109	5.3
619.25525	60.4
636.42169	1.5
637.26581	100.0
638.26508	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
53.21477	0.6
55.01869	1.1
55.05515	10.5
57.03438	10.6
59.04987	3.1
60.49120	0.7
61.02933	3.9
61.86396	0.7
65.03962	1.0
67.05505	58.2
69.03440	3.6
69.07065	3.8
69.07388	0.7
69.96490	3.6
71.04990	4.5
73.02937	0.7
79.05495	12.2
81.03416	32.4
81.06585	1.3
81.07055	19.8
83.04980	7.0
83.08620	14.7
84.04467	0.7
85.02441	1.2
85.02908	14.1
85.06532	2.7
86.09690	2.4
90.65317	0.7
91.03973	1.7
91.05483	16.4
93.07042	9.4
95.04967	11.2
95.08605	8.8
97.02889	5.4
97.06522	2.4
97.10170	1.6
98.21442	1.1
105.07022	10.1
107.04947	3.2
107.08595	5.2
109.02930	0.8
109.06509	2.4
109.10155	49.7
111.04448	2.3
111.08085	7.1
111.56131	0.6
113.06028	1.2
115.05500	0.7
119.08575	12.9
120.08070	1.7
121.06494	1.5
121.10170	5.1
123.08089	1.7
123.11736	1.1
125.09669	0.9
127.03895	1.8
129.03375	1.6
129.06989	6.1
131.08551	4.4
133.06514	2.0
133.10114	5.0
135.11636	1.3
137.09612	2.9
138.30769	0.6
142.07780	1.2
144.49036	0.7
145.10123	1.9
147.08038	1.4
147.11678	7.3
149.09628	2.7
155.10692	3.6
157.10132	7.0
161.06062	1.1
163.03879	0.8
163.11212	2.5
165.12794	2.0
173.11740	13.4
175.11172	8.2
189.05469	13.3
193.10487	0.8
193.12248	23.5
211.13287	34.7
227.12801	0.8
229.14346	56.4
267.15918	14.9
267.18622	1.1
270.09399	0.7
285.13705	1.0
285.16956	29.0
421.25839	17.5
439.26917	100.0
440.27222	0.9
475.26968	1.4
636.31207	1.0
637.19745	1.2
637.32080	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	635.3946
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.01862	1.2
55.05512	3.7
65.03940	2.0
67.05513	10.3
69.03414	1.3
69.07074	4.3
71.04980	1.0
71.56596	0.8
79.01614	1.6
79.05500	5.8
80.52915	0.7
81.03416	1.7
81.07061	13.2
83.05006	0.9
83.08614	2.4
91.05488	23.5
93.06492	1.1
93.07051	13.8
95.04964	1.5
95.08614	21.2
97.02885	1.1
105.07029	12.9
107.04929	1.1
107.08604	14.0
109.06480	1.5
109.10155	10.0
111.08096	0.9
115.05483	0.8
117.07040	4.1
119.04946	32.0
119.08588	11.7
121.06544	1.1
121.10146	8.0
122.91543	0.7
123.04433	2.3
123.08075	1.1
123.11697	3.3
125.06029	1.4
129.06967	2.2
131.08586	7.3
133.10138	9.8
135.04250	1.9
135.08018	1.3
135.11710	4.2
138.02878	1.8
139.03654	2.4
141.06943	1.1
142.07805	1.6
143.08563	4.4
145.10130	11.1
147.04417	100.0
147.11703	5.3
149.09682	1.4
149.13269	3.9
153.05264	0.9
155.08574	2.3
156.09352	0.8
157.10138	4.8
159.08086	1.4
159.11690	8.8
161.09622	2.3
161.13272	4.5
163.03893	6.4
163.14827	2.1
163.16150	0.8
164.04301	2.5
165.05499	1.3
167.07034	2.4
169.08746	0.8
169.10143	2.8
171.11714	3.8
173.09642	1.5
173.13268	4.6
175.11255	1.2
175.14815	2.8
179.10645	0.9
181.10014	1.0
181.12163	0.8
183.11714	1.8
185.13298	3.0
187.14824	3.3
189.12726	1.2
189.16423	1.5
193.12277	1.3
195.11723	2.0
197.13313	1.6
199.14856	3.8
201.16336	4.2
203.10670	1.4
203.17978	0.9
205.12216	1.7
206.12923	1.4
207.13782	0.8
209.13309	1.0
211.05791	2.5
211.14832	1.9
213.16464	1.3
215.14380	0.8
215.18002	2.0
217.12256	1.8
217.19453	1.2
219.13731	2.4
219.17404	1.3
221.15454	0.8
223.13106	3.0
225.16353	0.8
227.17953	1.4
229.07457	1.1
231.17581	0.8
233.15442	1.4
245.15552	1.0
247.17032	0.8
251.12587	3.1
259.16998	1.1
263.12787	1.3
267.12201	1.7
281.13885	0.9
307.15164	2.9
327.23346	2.5
328.13568	1.8
329.24881	1.0
335.21921	4.5
337.16113	1.8
338.17004	0.9
345.24332	1.1
351.21713	1.5
366.16663	2.0
379.17313	5.3
379.26749	1.5
391.24445	5.1
397.27380	1.0
407.24585	1.1
417.31671	1.4
421.25653	1.3
435.32687	5.1
449.25620	1.1
450.25925	1.7
453.33557	6.4
463.26892	3.8
471.34702	2.2
533.34644	1.4
547.28784	7.2
617.36456	3.2
635.37628	65.3
636.38159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	1.2
53.03949	10.8
53.13798	0.9
55.01873	12.3
55.05517	18.6
57.03447	5.5
59.05001	3.3
60.56002	1.0
62.16932	1.0
65.03944	2.3
67.05508	19.2
67.05849	1.9
68.51498	1.4
69.03435	15.3
69.07082	7.1
71.01360	1.7
71.04995	8.4
72.48472	1.1
73.49673	1.1
79.05496	28.3
81.03422	78.8
81.07054	21.3
83.01345	6.8
83.04983	21.4
83.08619	8.9
85.02904	8.5
85.06529	1.4
91.05483	23.4
93.07048	31.1
94.43323	1.0
95.04963	10.0
95.08598	11.0
97.02895	17.9
97.06529	7.7
97.10192	3.7
98.21520	2.6
99.04462	7.4
103.05447	1.5
105.07034	14.9
107.04961	13.3
107.08597	16.5
109.02880	19.0
109.06506	7.4
109.10181	4.6
111.04433	11.5
111.08109	4.9
115.05501	1.6
117.07005	8.8
119.04931	1.9
119.08588	13.3
120.08106	1.1
121.06527	4.0
121.10133	8.2
123.04478	2.3
123.08083	7.1
125.06015	2.3
125.09680	3.5
127.03923	11.7
129.06982	2.6
130.07800	1.8
131.04979	2.9
131.08604	6.5
133.06537	1.5
133.10091	5.0
134.09686	3.4
135.08107	3.0
135.11687	15.0
137.06009	1.8
137.09671	1.7
143.08611	2.5
145.06572	2.0
145.10135	18.1
147.04373	2.6
147.08115	1.7
147.11719	1.4
149.09750	1.1
153.09023	1.1
153.12764	12.8
155.08559	1.6
157.10117	1.7
159.78456	1.0
162.24678	1.0
163.03935	1.4
163.11192	29.1
173.04498	7.2
173.09676	4.7
181.12227	9.9
189.11295	1.9
191.10677	9.1
193.12292	1.7
209.11729	15.0
227.12798	21.2
227.14919	1.4
260.46268	1.0
263.12878	1.1
265.14444	3.2
283.15347	7.5
289.14493	2.2
335.15103	4.2
353.15964	21.5
409.18604	4.7
463.26651	2.2
465.06238	1.3
473.25513	3.2
491.26358	7.4
561.26831	2.3
617.29736	3.4
635.30762	100.0
636.30963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01889	1.3
55.05491	3.8
55.55853	1.0
57.03441	1.1
57.07066	2.3
59.04988	2.2
61.02934	1.2
61.68742	1.0
62.98364	1.0
63.92987	0.9
64.33069	1.0
65.85905	1.2
67.05505	11.8
69.03428	6.5
69.07059	1.1
69.40934	7.7
69.98483	1.0
70.06590	1.5
70.65450	1.1
71.04983	3.4
79.05482	2.0
81.03423	2.2
81.07043	3.7
83.04958	2.1
85.02910	5.2
85.06547	9.3
87.04466	1.6
89.06030	7.6
91.05483	3.9
93.07056	7.2
95.04982	2.1
95.07991	1.9
95.08615	59.0
97.02898	80.5
97.06503	1.8
98.97577	2.3
99.04452	2.3
99.08083	3.2
105.07032	6.9
107.04923	2.5
107.08597	8.1
109.06514	2.6
109.10167	2.9
113.06017	7.3
115.03918	4.8
116.98618	1.2
119.04972	2.8
119.07980	1.2
119.08602	14.2
121.06538	1.4
121.10114	6.9
123.08075	26.4
123.11707	2.3
127.03930	2.1
131.08536	3.0
133.04938	1.7
133.06497	2.1
133.10130	3.3
135.08003	1.4
135.11688	10.0
137.09657	6.7
145.02934	1.1
147.04440	7.2
147.08002	2.6
147.11705	7.5
149.09633	40.6
151.07576	1.7
151.14818	2.3
161.13290	11.2
163.03944	2.2
163.11197	4.9
165.09245	1.4
165.12746	4.7
171.11728	2.6
177.05502	1.9
179.14275	2.1
185.08092	4.2
187.06021	3.4
189.05432	2.4
189.12758	18.7
193.15860	2.5
207.13814	100.0
225.14888	5.5
231.08662	11.9
249.09776	4.1
263.46207	1.2
349.11185	4.5
393.13943	3.4
635.15039	3.2
635.26428	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	635.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43634	0.1
53.03935	0.2
54.38435	0.1
56.05051	0.1
61.46554	0.1
65.03915	0.2
68.79101	0.1
70.06445	0.2
70.06816	0.4
74.02453	0.2
77.03918	0.2
79.05466	0.3
91.05482	6.7
93.07046	1.6
95.04952	0.2
97.17393	0.1
103.05466	2.6
104.05002	0.3
105.03398	0.3
105.07030	3.2
106.06561	0.2
107.04984	0.2
115.05474	0.3
117.05777	0.4
117.07014	0.4
118.06545	16.2
119.04987	0.8
119.07325	14.1
119.80059	0.1
120.08105	22.5
121.06522	0.1
121.08492	0.1
123.04428	0.3
128.04973	0.3
130.06538	1.2
131.04938	0.3
131.07283	0.2
132.08101	0.3
133.08855	0.2
134.09653	100.0
135.09991	0.4
136.07576	3.9
144.08081	0.4
146.06007	36.3
147.06308	0.1
160.07603	0.1
161.10733	0.3
162.05501	1.0
164.07074	0.4
165.05478	0.9
167.08647	0.3
169.10162	0.3
173.07103	0.3
174.05501	0.3
175.08675	0.1
179.08633	0.2
182.08138	1.0
187.08682	0.2
189.10242	1.7
191.08426	0.2
193.10162	0.1
197.09641	0.2
203.08534	0.2
208.11243	0.3
213.98895	0.1
219.08357	0.1
220.11215	1.1
221.09615	0.1
222.12759	2.0
222.14667	0.2
223.07581	0.5
225.09134	0.1
228.10262	0.2
228.48639	0.1
236.10716	0.9
236.14429	0.3
237.13797	0.2
238.12212	0.3
248.10791	0.7
253.13510	0.1
264.10471	0.1
265.08658	0.4
265.13361	3.5
266.11758	0.2
270.11276	1.5
280.15945	0.1
281.12918	0.5
281.16519	0.4
282.11295	0.8
293.12839	9.8
299.13959	0.9
307.14417	2.0
309.12320	2.3
321.12314	0.4
323.86493	0.1
329.14975	0.9
339.13394	0.3
355.12927	2.1
415.62463	0.1
417.18167	0.5
429.18112	0.3
446.20795	0.5
454.21072	0.6
458.20633	0.2
474.20255	23.9
475.20660	0.2
502.19724	10.2
604.24451	0.2
607.28790	0.2
629.78107	0.1
635.28619	5.7
654.78491	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	635.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70343	0.1
56.05034	0.2
61.67954	0.1
69.56651	0.7
75.97302	0.1
79.05499	0.3
82.77219	0.1
85.04032	0.2
91.05479	3.3
93.07042	1.6
95.04981	0.1
95.06109	0.1
103.05468	2.1
104.05032	0.2
105.03387	0.3
105.07036	2.9
106.06528	0.1
107.04976	0.3
115.05463	0.5
116.05005	0.2
117.05775	0.3
117.07014	0.4
118.06549	4.6
119.05005	0.7
119.07327	12.5
120.08109	21.2
121.10182	0.1
123.04439	0.2
128.04951	0.2
130.06537	0.7
131.04945	0.6
132.08101	0.5
133.08864	0.2
134.09656	100.0
134.23997	0.1
135.09987	0.3
135.11665	0.1
136.07574	1.7
144.08090	1.7
146.06012	5.7
147.04424	0.2
161.10722	0.6
162.05507	0.7
164.07065	0.9
165.05486	0.5
167.08551	0.2
169.10092	0.2
172.07603	0.1
172.10028	0.1
174.05547	0.1
175.08621	0.1
179.08524	0.2
179.11772	0.8
181.10172	0.1
182.08154	0.5
189.10236	3.4
191.08440	0.1
193.10144	0.2
206.09694	0.3
208.11197	0.4
220.11250	0.7
221.09608	0.3
222.12814	0.1
223.07571	0.3
236.10791	0.9
236.14342	2.6
237.09103	0.1
238.12386	0.3
248.10678	0.3
249.13890	0.1
251.15462	0.2
264.10303	0.1
265.08575	0.3
265.13403	0.7
266.11713	0.2
270.11258	0.7
276.10080	0.1
277.13400	0.4
279.14948	0.2
280.15701	1.1
281.13647	0.1
281.16553	0.7
282.11374	0.6
293.12869	2.4
307.14474	0.4
309.12399	1.1
320.73065	0.1
321.12344	0.4
329.14951	0.7
339.13312	0.2
355.12915	1.4
367.18231	0.3
395.16980	0.2
417.18262	0.8
429.18011	0.5
446.20685	0.2
452.01190	0.1
456.18930	0.2
457.17590	0.7
458.20755	0.6
474.20184	1.6
502.19751	14.1
578.38165	0.1
604.24451	3.6
607.29071	1.1
629.76843	0.1
635.19110	0.2
635.28790	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01877	4.5
55.05514	10.2
57.03439	12.6
57.07069	1.2
59.04999	3.9
61.02929	5.1
65.03943	1.3
67.05506	60.0
69.03421	2.4
69.07055	3.2
70.05474	1.5
70.05875	3.2
71.04989	4.0
73.02901	1.5
76.35806	0.8
79.05080	0.9
79.05496	11.8
81.03413	7.7
81.07055	16.4
83.01361	6.4
83.04990	7.1
83.08619	10.6
85.02911	7.3
85.06537	2.0
91.03941	2.8
91.05478	10.5
93.07046	14.7
95.04972	3.5
95.08615	8.4
97.02876	3.9
97.06528	3.2
99.04436	2.1
99.08141	0.9
105.07040	4.5
107.04929	4.5
107.08597	7.4
109.06509	4.1
109.10158	57.8
111.04422	2.2
111.08083	4.5
117.03558	0.9
117.06998	3.5
119.08581	10.4
121.06517	1.9
121.10141	5.2
123.08057	6.2
125.09573	1.0
131.08560	2.5
133.10130	2.3
135.08052	1.2
135.11700	9.3
137.09599	3.7
141.27916	0.8
144.65247	0.8
145.04938	1.1
145.10117	9.6
147.08025	1.3
147.11649	0.9
153.12733	1.8
155.10695	5.0
163.11169	15.6
173.09595	1.5
173.11749	15.8
181.12161	1.9
189.05360	1.6
191.10664	1.3
209.11742	4.3
227.12810	4.2
229.14343	80.5
267.54333	0.9
283.15402	70.8
437.25357	100.0
438.25519	1.4
596.90240	0.9
597.64734	0.9
605.02863	1.0
616.20184	0.9
635.30237	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34607	1.6
55.05504	7.6
55.05758	1.6
57.03425	3.5
67.05519	10.2
69.03405	1.6
69.07065	12.3
71.04994	16.1
72.29941	1.5
75.04465	2.1
78.48707	1.5
79.05495	8.6
81.07049	17.5
83.04958	4.2
83.08616	7.4
85.02433	2.8
85.02901	31.3
91.05476	6.5
93.07048	15.7
94.35065	1.5
95.04964	2.3
95.07982	2.1
95.08605	37.5
97.02873	3.2
97.06551	1.7
97.10149	1.9
98.20729	4.1
105.07030	17.8
107.08581	26.2
109.10155	21.9
111.04491	3.0
111.26890	1.5
119.08581	27.2
120.70496	1.7
121.10140	25.8
123.11695	7.7
125.06028	2.1
127.03854	2.5
129.05490	8.9
131.08551	3.8
133.10130	23.0
135.11708	20.0
137.13269	2.1
139.11113	1.9
141.01765	3.0
143.08528	2.8
145.04984	3.1
145.10110	10.7
147.06561	8.5
147.11684	20.6
149.12192	1.9
149.13249	12.1
153.09073	4.3
157.10141	3.1
159.11673	5.0
161.13278	11.4
163.06052	1.9
163.14801	14.4
171.06613	1.7
171.11711	3.4
173.13274	7.3
175.14815	11.4
177.16399	5.5
179.10641	2.1
185.13301	2.1
187.14832	6.5
189.05536	2.5
189.16376	29.7
191.17944	100.0
193.15746	1.9
199.14894	4.6
201.16414	13.3
203.17947	69.7
205.16000	2.9
205.19501	8.9
213.16348	3.0
215.17879	2.9
217.19597	7.9
221.18965	4.5
227.17871	1.9
231.21062	3.2
235.17010	5.0
247.16942	4.1
249.18488	22.3
309.11661	3.0
340.33945	1.9
393.35181	3.4
395.29352	3.8
405.31479	6.1
411.35992	4.8
433.31183	8.4
439.35687	55.4
440.36002	4.0
451.32028	11.8
469.32892	3.7
601.25464	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	633.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.9
65.03922	3.5
69.03422	8.2
73.02900	3.1
75.56577	2.2
79.05482	10.5
81.03397	6.7
82.99875	6.0
85.02905	13.1
91.05502	20.1
95.04973	4.9
97.02898	10.3
98.21529	5.8
98.97569	9.8
99.49711	2.1
101.00893	24.0
103.02422	2.3
105.03376	3.9
107.04942	3.7
109.02905	3.6
113.00882	5.4
115.02438	3.0
116.98621	3.5
119.01936	42.2
119.04955	24.6
127.02404	4.4
127.03896	2.5
129.03313	4.3
131.01917	22.1
131.04887	5.6
133.03448	9.2
133.06470	3.0
135.04442	3.4
137.02983	3.0
139.02434	2.2
143.01901	83.4
145.01680	3.2
145.03557	19.1
145.04636	3.0
145.04984	2.5
146.03595	2.6
147.01379	7.5
147.04420	32.9
148.04720	2.6
152.05693	2.4
155.01912	18.6
157.03459	9.0
158.99710	6.7
161.02966	100.0
161.05963	7.0
162.03145	3.0
164.99092	3.2
165.05472	5.9
168.99805	9.9
169.03563	3.1
171.01387	4.3
173.01581	3.3
173.02991	23.8
174.78625	2.3
175.03894	15.0
177.00826	2.9
177.05544	7.0
179.05577	3.7
179.07043	6.2
181.03488	22.9
183.01361	7.1
183.05037	3.3
184.04518	2.4
185.01543	2.7
185.02905	12.0
187.00934	9.7
189.02577	4.4
189.03987	6.2
189.05469	69.1
190.05849	5.3
190.98790	2.6
191.04170	3.1
193.03429	3.0
193.04956	4.7
195.04991	3.9
196.99263	6.5
197.02988	3.7
199.00809	3.1
201.00732	2.3
201.02521	5.9
203.02290	3.2
203.04018	44.2
203.05774	4.5
205.03548	19.3
207.04816	15.4
207.06694	24.5
209.02994	3.7
213.02486	2.8
215.00305	17.9
215.01865	3.5
215.03883	4.9
217.01953	3.1
219.01778	4.8
219.03487	3.5
219.05185	4.9
221.03084	4.3
221.05013	33.4
221.06984	2.6
223.01227	2.7
223.04550	17.6
223.06459	4.1
225.02502	3.1
225.05760	3.5
225.07896	11.2
227.07861	2.6
227.57622	2.7
229.01984	6.8
229.05559	3.6
231.03380	20.2
233.03029	40.9
233.06694	2.9
235.04747	13.5
237.06035	10.5
239.04135	3.6
241.05624	4.3
243.01697	3.2
245.01796	2.8
245.05080	6.0
247.02814	9.7
247.04608	14.3
249.04289	5.5
249.06485	3.6
251.04073	16.0
253.05530	6.7
253.19646	2.3
255.07523	2.4
257.03000	62.5
257.05524	5.1
258.06357	2.4
259.03119	2.7
261.06146	5.0
265.05615	22.8
269.02832	5.8
269.05383	4.2
273.04529	18.3
275.04257	29.0
275.07104	4.5
277.05600	2.6
279.03635	3.1
279.06955	3.1
283.06561	6.9
287.03369	3.8
287.06451	16.9
289.03986	13.3
289.05496	17.8
293.05066	11.0
299.04199	2.7
301.05533	5.3
303.07300	2.8
305.05243	6.2
307.06622	33.1
313.08594	4.3
317.05090	10.0
319.06461	6.8
325.07687	10.7
331.06036	9.5
347.06332	3.4
349.07709	77.2
351.08585	2.5
359.05896	9.2
361.07550	2.5
369.06995	3.2
375.05374	3.3
377.07190	22.5
379.08881	6.6
388.21310	3.1
391.08170	7.2
393.06833	3.7
395.08292	29.7
401.56393	2.8
407.08725	2.9
409.09808	17.9
421.06516	5.8
427.10922	32.4
435.07968	4.0
441.03986	2.5
445.12228	16.8
453.09274	3.7
471.10355	8.4
473.11133	9.8
487.12753	3.7
513.05359	4.6
513.11810	4.2
515.11938	3.1
545.13464	5.5
555.11902	7.8
573.13220	20.6
583.11877	4.9
595.30438	2.5
601.12549	10.6
624.26514	2.6
633.15619	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	631.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21790	2.9
54.43470	2.0
55.05500	8.8
57.07076	5.1
67.05490	10.3
68.98019	2.4
69.03449	2.3
69.07069	14.2
71.04974	4.0
73.02891	2.9
79.05487	9.6
81.07048	25.1
83.04977	3.0
83.08614	8.4
85.02888	10.6
91.05484	12.6
93.07047	25.2
95.08610	44.5
97.06493	3.6
97.10146	3.8
105.07030	34.0
107.08600	41.6
107.65639	2.3
109.10164	29.7
117.06987	3.5
119.04826	2.5
119.08592	67.0
121.10153	39.0
121.11020	1.7
123.11713	16.7
129.05429	2.5
131.08566	14.5
133.10141	56.9
135.11693	26.0
141.01820	9.1
145.10110	27.8
147.11679	30.0
149.13272	15.8
155.08493	2.9
157.10078	4.7
159.11708	25.7
161.13277	25.1
163.14865	18.4
171.11729	5.5
173.13298	14.9
175.14824	14.8
177.05368	2.7
177.16403	15.0
185.13281	6.6
187.14838	22.7
189.14815	4.6
189.16402	62.0
191.17970	71.2
197.13200	3.8
199.14868	8.3
201.16400	84.2
202.16191	2.3
203.17978	51.4
205.19394	5.0
207.13663	2.4
207.17400	7.0
211.14990	3.3
213.16354	7.7
214.06348	2.3
215.17972	13.7
217.19487	9.6
219.17426	5.9
222.82762	2.2
227.17873	5.3
229.19463	9.5
231.21083	2.5
234.68651	2.4
239.17975	4.1
243.11591	2.3
243.21092	17.6
245.15222	3.7
247.16954	34.2
249.18686	2.7
255.21191	10.8
259.09558	3.4
261.18475	4.3
391.33545	14.8
395.30289	2.2
409.34537	5.7
437.34222	100.0
455.35184	32.3
483.09875	3.2
567.36688	6.4
596.04675	2.5
613.37744	3.1
631.32977	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	631.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	15.4
57.07067	3.7
67.05502	15.3
69.07061	22.3
70.98985	4.6
71.59879	1.9
79.05478	8.9
79.41649	2.0
81.07060	33.7
83.08612	13.6
84.89349	2.1
85.02925	4.3
91.05445	11.4
93.07040	34.3
95.01328	3.7
95.08606	66.6
97.10159	5.4
100.28391	2.1
105.07034	40.0
107.08593	50.7
109.10152	38.0
117.07003	6.2
118.80372	2.1
119.08583	77.2
119.40157	2.2
121.09338	3.4
121.10150	49.7
121.95076	2.3
123.11686	15.4
125.05969	2.3
129.07037	2.7
131.08560	18.7
133.10132	81.2
135.08150	2.4
135.11688	39.1
137.13232	2.8
141.01851	7.2
143.08548	5.1
145.10132	33.8
147.10651	3.5
147.11693	34.7
149.13284	23.3
151.14961	2.4
157.10158	6.7
159.11697	33.9
160.12482	4.9
161.13257	35.2
163.14839	20.4
165.09221	2.8
171.11699	6.0
173.13309	18.0
175.14835	20.1
177.12692	2.4
177.16385	16.9
179.14249	3.0
183.11662	3.2
185.13220	7.5
187.14812	23.6
187.53416	2.2
189.16396	66.4
191.17958	94.2
196.24301	2.3
199.14792	8.2
200.15369	2.4
201.16376	99.9
203.17950	76.7
205.15924	2.6
205.19521	5.5
207.13878	4.2
207.17422	8.6
211.14828	2.6
213.16403	10.0
215.17889	18.4
217.19527	8.2
219.17470	6.3
221.15341	4.3
227.17876	4.6
229.19461	10.5
231.21156	3.0
235.16943	3.4
237.18529	4.1
239.17989	3.5
241.19540	4.9
243.21104	23.4
245.15314	4.5
246.50414	2.3
247.16920	42.6
249.18547	3.5
255.21193	11.8
265.17990	3.0
267.20990	4.1
391.33694	16.3
395.29620	2.4
409.34598	8.7
419.33237	5.4
425.31046	2.5
437.34167	100.0
455.35269	39.9
567.36566	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	631.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01567	0.9
53.03937	2.8
55.01863	3.1
55.05497	4.1
56.71427	0.9
56.96548	1.6
57.03435	4.9
61.02931	8.0
67.05503	6.7
69.03431	23.3
69.07056	4.4
69.76505	5.8
71.04980	3.3
71.07223	1.0
72.32889	0.9
73.02898	2.8
74.89749	0.9
79.05494	6.9
81.03407	8.5
81.07057	9.4
83.04992	2.0
83.08603	1.8
85.02903	43.9
87.04456	2.2
89.03908	1.4
91.03947	2.9
91.05471	13.4
93.07043	11.8
95.04956	3.1
95.08601	10.2
97.02897	21.0
97.06519	7.1
98.20837	1.4
99.04436	3.8
103.05428	1.9
105.07029	19.9
107.04944	3.3
107.08595	14.0
109.02872	5.8
109.06526	3.8
109.10159	4.8
111.04441	1.1
111.08070	1.4
115.03943	6.3
115.05459	1.8
117.03327	1.7
117.07023	8.4
119.08578	30.1
121.06512	8.2
121.10120	7.5
123.04473	1.4
123.08051	3.1
123.11659	2.2
127.03909	8.0
128.06197	3.4
129.07005	6.5
130.07779	1.2
131.08566	21.0
133.06528	4.7
133.10127	18.0
135.04399	3.7
135.08043	7.2
135.11682	3.6
137.05962	5.0
137.09627	1.4
137.31180	1.0
141.06946	3.1
142.07767	8.3
143.08568	21.2
144.09355	6.2
145.02834	1.7
145.04959	7.7
145.06464	2.2
145.10118	27.1
147.04430	1.5
147.08043	7.0
147.11719	10.3
149.06009	2.1
149.09621	2.6
149.13228	4.5
151.03815	1.4
151.07547	2.4
153.06952	1.9
155.08528	10.6
156.09320	9.9
157.10129	26.4
158.10898	4.4
159.08043	4.1
159.11690	62.4
161.06001	1.6
161.09616	8.5
161.13228	5.8
163.03906	11.9
163.07547	1.4
163.11153	3.0
165.06998	2.0
167.07167	2.0
167.08566	6.8
168.09329	5.5
169.10136	15.4
170.10889	4.4
171.08040	1.9
171.10269	1.9
171.11687	29.4
173.02339	2.2
173.09662	5.4
173.13260	32.1
175.07683	1.4
175.11143	3.6
175.14789	5.8
177.05518	1.9
177.09091	2.9
177.12727	3.7
179.08537	2.7
180.09343	1.5
181.04944	1.2
181.10121	11.1
182.10928	12.4
183.11702	47.1
184.12440	1.4
185.09592	3.2
185.13266	17.3
187.07498	1.4
187.11192	6.8
187.14792	10.3
189.05493	1.3
189.09210	1.2
189.12726	8.1
189.16400	1.9
191.14256	4.1
193.10126	3.2
194.11049	1.3
195.11662	6.4
196.12454	1.7
197.13260	26.5
199.11168	5.7
199.14803	10.9
201.12726	10.3
201.16420	3.0
203.10756	1.1
203.14282	5.2
205.12222	4.7
205.15961	1.0
206.10872	1.7
207.02866	2.4
207.11676	3.8
207.13680	2.1
208.12447	1.9
209.13318	7.0
210.14061	1.5
211.11237	1.0
211.14819	6.3
213.12685	3.3
213.16367	3.1
215.07057	2.9
215.14293	11.6
217.12306	1.6
217.15860	2.9
219.11780	1.3
219.13760	2.8
220.12465	1.3
221.13176	4.3
223.11179	1.0
223.14816	5.0
225.16333	5.4
227.14284	3.1
227.17967	2.3
229.15868	2.0
232.12576	1.2
233.13242	2.3
233.15366	2.2
235.14804	2.8
237.16345	4.4
239.14235	1.3
239.17996	2.7
241.15773	1.1
245.15425	1.5
247.14761	1.8
249.16425	5.0
251.17963	5.0
253.15958	1.8
253.19463	2.9
255.01784	1.5
259.09680	5.6
261.16287	1.9
263.17960	2.2
265.19510	1.7
267.17529	2.4
271.20547	1.9
274.16693	1.1
275.17831	3.1
281.19174	1.4
283.20560	1.1
289.19446	1.8
301.11954	1.3
315.21060	1.4
330.25156	1.0
359.23740	1.3
369.25974	1.3
374.26074	4.9
375.26822	2.6
377.01843	7.9
385.25403	6.4
387.26627	2.5
391.26297	1.5
393.28000	2.1
395.02731	1.0
397.25061	4.3
403.26309	13.2
405.27719	2.2
415.08035	1.2
415.26212	7.5
417.28165	2.0
421.27286	8.5
433.27325	10.0
435.29147	1.2
441.30026	31.5
442.30121	1.5
451.22018	1.2
451.28461	34.0
453.29987	5.1
469.29507	100.0
470.29715	1.3
613.31677	2.9
631.14545	1.4
631.24835	2.3
631.34839	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	629.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01870	2.6
56.96575	1.7
57.03431	2.1
57.40747	1.3
65.03934	3.7
67.05498	3.8
68.02657	2.8
69.03428	14.2
71.01335	3.7
71.04983	7.0
71.53403	2.5
73.02914	4.1
77.03970	1.7
79.05471	8.9
81.03424	13.9
81.07039	2.5
82.61580	1.5
83.04982	6.5
85.02903	19.6
87.04454	2.6
91.05486	30.5
93.03384	5.0
93.07044	3.3
95.01337	4.0
95.04964	11.9
97.02886	14.4
98.97591	4.5
99.00807	4.6
99.04455	3.9
102.96889	3.3
103.05457	3.6
105.03370	2.5
105.07032	3.6
107.04954	11.0
109.02863	9.1
111.04457	12.1
114.96818	1.9
115.03947	3.6
115.05527	1.7
117.06974	2.2
119.04944	35.5
121.02856	19.7
121.06509	7.3
123.04436	16.2
125.02361	42.2
127.03915	13.2
129.05453	3.6
131.03371	3.2
131.04913	2.2
133.06497	1.7
135.04431	10.9
137.05969	5.1
139.03911	100.0
145.02821	3.8
145.04967	5.2
147.04427	52.7
148.04720	2.1
149.02347	20.5
149.05962	5.4
151.03865	3.0
153.05464	5.2
159.04436	2.7
161.05974	4.4
162.98947	3.0
163.03905	7.4
165.05513	12.0
167.03415	6.0
167.07002	1.9
175.03915	54.1
177.05450	9.2
179.03270	2.2
179.07063	6.8
181.04962	54.6
189.05475	7.7
191.03470	3.8
191.06982	2.1
193.04945	30.1
195.06508	5.4
199.06065	1.7
202.03923	1.9
205.04979	6.5
207.06522	21.4
209.04375	1.9
211.06059	16.8
223.01027	2.9
223.05991	3.3
225.07553	22.0
241.02170	1.8
241.07065	2.7
243.08638	7.8
253.07108	6.6
259.14160	1.8
273.07639	1.6
287.13898	9.4
303.05026	8.1
304.05353	7.1
305.05545	6.3
305.14944	17.7
314.07584	3.9
319.07986	4.4
333.09628	2.5
337.09186	31.8
342.51251	1.6
345.58719	2.1
351.10736	7.7
355.10245	56.2
369.11749	6.0
373.11166	8.0
389.10901	2.0
405.11807	4.7
440.83090	1.9
466.10059	2.1
475.07092	3.2
549.15948	4.0
567.17102	9.9
629.21552	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	630.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39025	0.5
55.05504	0.6
57.07072	5.0
58.06598	2.2
70.06593	16.1
71.08612	1.6
71.56529	0.7
72.08148	0.7
81.03403	0.6
81.07045	0.8
83.96651	0.5
85.10195	0.7
88.07624	17.6
102.08485	0.7
102.09172	14.4
105.07088	0.6
109.10180	0.6
121.10178	0.7
126.70671	0.6
131.04916	0.7
132.10077	0.6
147.04417	0.9
149.02335	29.6
175.04042	0.6
184.20610	0.7
185.13271	0.5
193.04959	38.0
219.06625	1.1
225.05580	1.0
228.23218	39.7
237.07555	10.0
269.04486	0.9
272.25735	0.6
297.03970	2.0
313.07181	2.3
341.06540	8.3
346.95776	0.7
359.07581	7.7
385.09171	15.2
417.60889	0.6
429.11813	24.0
468.29013	0.6
482.14334	0.6
533.25952	0.6
612.31909	0.9
618.57953	0.6
630.32697	100.0
631.33502	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3381
Annotation	Leucasperoside B
Peak:m/z	Relative Intensity
53.03944	6.8
55.01862	6.3
55.05522	28.9
57.03450	23.6
65.03950	3.3
67.05511	54.9
69.03427	21.8
69.07074	17.3
71.04999	9.0
76.03610	4.4
79.05502	57.0
79.60867	4.6
81.03423	100.0
81.07060	42.2
83.04981	55.3
83.08179	4.3
83.08617	28.5
85.02911	22.2
91.03809	3.2
91.05492	43.8
92.63473	3.4
93.07050	57.9
95.04971	29.4
95.08624	18.1
97.02881	17.7
97.06528	19.3
97.10188	18.2
105.07030	32.6
107.04961	8.5
107.08610	41.2
109.02885	10.8
109.06535	7.8
109.10149	14.9
111.04445	19.5
111.08086	15.8
117.07040	7.1
119.08566	26.7
121.06487	7.3
121.10122	17.2
121.32718	3.5
125.09638	5.8
127.03903	12.6
129.05446	7.7
129.06987	13.4
131.08553	13.6
133.10133	13.4
135.11687	43.3
137.09601	3.9
142.07736	4.7
145.10133	15.0
147.11690	17.6
149.09590	6.5
153.12697	4.1
157.10165	15.9
159.11725	4.5
163.03867	4.1
163.11183	12.6
173.09605	4.1
175.11183	14.3
181.12251	14.1
191.10593	4.4
192.65630	3.1
193.12259	46.8
195.89948	4.2
211.13327	58.5
227.12799	5.7
255.15938	73.9
259.09674	4.3
267.15976	33.6
285.16913	11.2
292.19751	5.7
355.17422	5.9
366.23392	6.3
399.19699	5.1
429.21329	18.3
429.26175	5.3
447.27481	79.3
465.28427	62.2
609.32751	56.3
627.29688	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01873	3.0
55.05511	7.3
57.03434	5.3
57.07067	1.3
67.05505	21.0
69.03435	1.5
69.07079	6.3
69.07394	1.0
69.18879	10.0
71.04988	1.8
71.08640	15.1
79.05499	22.4
81.03423	35.0
81.07060	23.5
82.07387	1.2
83.04987	5.7
83.08626	8.0
85.06552	2.2
87.63131	1.1
91.05487	19.9
93.07050	26.7
95.04981	11.4
95.08620	14.1
97.02878	1.3
97.06525	3.5
97.10195	2.9
99.08113	10.1
105.07047	12.2
107.04983	5.5
107.05589	1.3
107.08605	15.6
109.06521	2.3
109.10177	7.2
111.04482	1.9
111.08085	4.0
113.09655	2.2
117.07029	3.2
119.08576	10.6
121.06499	1.2
121.10146	11.6
123.08058	2.0
123.11740	1.3
125.09650	2.4
129.07030	4.0
131.08594	5.1
133.06523	1.3
133.10127	8.9
135.08026	1.3
135.11681	13.0
137.09593	1.7
141.09123	1.3
145.10088	3.2
147.11678	4.6
149.09628	1.5
149.13275	3.7
151.11200	6.8
157.10144	5.2
159.11702	1.3
161.13248	5.3
163.11198	2.5
165.12906	1.3
171.11633	1.3
173.13344	1.7
175.11237	3.8
177.12616	1.3
179.14333	29.7
181.10167	1.4
193.12206	6.4
235.16817	2.4
249.09402	1.3
253.14291	1.7
254.17404	1.2
267.15939	41.6
277.21628	19.8
277.24423	1.9
351.25278	17.1
500.94550	1.3
543.36841	100.0
544.37097	1.6
610.45630	2.3
628.46466	2.9
649.20013	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98741	0.1
53.03929	0.3
55.01862	0.4
57.03438	0.7
61.02925	1.0
68.99782	0.4
69.03433	2.3
69.59245	0.6
70.06584	0.2
71.04990	0.4
73.02914	0.3
81.03423	1.5
85.02908	6.8
87.04456	0.3
91.03946	0.3
91.05464	0.2
93.03399	0.3
95.04914	0.2
97.02903	2.3
98.97578	0.1
99.04438	0.4
106.13695	0.1
107.04963	0.2
109.02871	0.8
111.00795	0.8
111.04363	0.1
116.01560	0.1
119.04934	0.2
121.02860	0.9
122.93117	0.1
123.04424	0.2
127.03913	1.5
131.04912	0.2
135.04404	0.1
137.02342	3.1
137.03372	0.1
138.00937	0.1
145.02943	0.1
145.04947	1.2
147.04376	0.3
149.02336	0.4
149.05913	0.1
153.01831	3.1
155.04927	0.2
159.04338	0.1
161.05940	0.2
163.03928	0.6
165.01854	2.0
166.02617	0.3
173.05948	0.3
179.03415	0.1
183.02888	0.6
183.04443	0.2
186.62546	0.1
187.04033	0.2
189.05542	0.2
191.03413	0.2
191.07077	0.1
195.02957	0.2
201.05446	1.2
207.02934	0.1
207.06657	0.1
213.05562	0.2
215.03473	0.1
217.04987	0.1
219.03043	0.1
219.06534	0.3
228.04082	0.2
229.04971	3.2
239.03568	0.2
247.06009	0.7
257.04437	2.6
274.02158	0.1
274.04755	0.7
285.03943	1.1
303.04987	100.0
304.05319	0.8
311.57916	0.1
315.05154	0.1
345.06021	0.2
465.10315	9.3
466.79425	0.1
627.18939	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	625.176
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
51.41939	0.2
52.02732	0.3
55.05497	0.3
55.97288	0.3
57.03434	1.7
61.02923	0.6
65.37702	0.2
69.03414	0.8
70.70139	0.6
71.04995	8.5
75.04462	0.4
81.03384	0.4
83.04973	0.4
85.02906	12.8
91.03990	0.3
93.03411	0.5
97.02876	1.5
110.84955	0.2
121.02857	0.6
123.14944	0.2
127.03901	0.8
129.05496	3.0
139.03909	0.5
145.04965	0.6
147.06520	0.8
148.66972	0.3
151.03917	1.2
153.01837	4.4
157.75394	0.2
165.01790	0.4
201.05515	0.4
203.03348	0.3
217.04906	0.4
218.05824	0.4
228.04210	0.6
229.04979	1.3
231.02940	0.3
245.04468	0.5
246.05254	1.0
257.04474	1.5
261.07556	0.3
271.06006	0.3
273.03918	1.2
274.04752	3.4
284.03360	0.5
285.03918	2.2
302.04205	10.2
304.55600	0.2
317.06558	100.0
318.07037	1.6
479.11707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77687	0.2
52.13054	0.2
53.03931	0.7
55.01854	0.7
57.03439	1.3
59.63548	0.2
61.02925	2.6
67.05477	0.2
68.99797	0.3
69.03429	4.9
69.88509	0.7
69.88926	0.5
70.06586	0.6
71.04987	0.6
73.02923	1.0
80.36625	0.2
81.03423	2.2
84.04501	0.3
85.02906	19.8
87.04451	0.8
91.03961	1.2
91.05479	0.4
93.03387	0.3
95.04932	0.5
97.02892	6.6
98.97558	0.5
99.04452	0.9
99.08074	0.3
103.03944	0.2
105.07022	0.2
106.70102	0.2
107.04925	0.2
109.02884	2.0
110.26416	0.2
111.00774	0.8
119.04935	0.3
119.08606	0.3
121.02863	0.9
123.04433	0.4
127.03915	4.4
135.04453	0.3
137.02338	3.1
145.02736	0.2
145.04964	5.8
147.04385	0.4
149.02357	0.3
153.01826	3.1
161.05954	0.3
163.03871	1.2
163.06010	0.9
165.01852	1.9
173.06139	0.2
177.05426	0.4
183.02888	0.8
189.05565	0.4
195.02885	0.2
201.05486	1.6
207.06558	0.4
228.04247	0.2
229.04967	3.6
247.06049	0.7
257.04391	2.4
274.04684	0.6
285.03958	1.3
286.04538	0.2
302.04303	0.4
303.04987	100.0
304.05310	1.0
315.05093	0.2
345.06094	0.5
369.06024	0.3
404.36356	0.2
412.33575	0.2
431.50851	0.2
465.10336	2.6
627.22229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.5
57.03438	13.6
57.07079	39.7
58.00147	6.9
67.05508	50.3
69.07056	26.1
71.08613	23.3
71.55772	10.3
73.98592	6.4
79.05479	34.6
81.07074	40.4
83.08601	14.5
85.10159	18.2
90.67402	7.1
91.05482	45.8
93.07047	46.8
95.08633	40.0
97.10186	9.6
101.77309	8.0
105.07015	58.2
107.08581	24.6
109.10156	18.8
117.07026	17.1
118.50089	6.7
119.08591	38.8
121.10151	9.1
129.07011	11.5
131.08575	10.9
133.10123	29.7
135.11664	19.0
145.10042	18.9
147.11696	28.8
149.13327	8.5
159.11684	18.4
161.13263	18.6
171.11597	9.3
239.72835	8.5
241.19501	26.3
259.20645	73.7
313.27438	100.0
333.24380	52.3
352.65326	8.0
364.27576	8.6
546.41028	10.3
571.47388	18.4
589.48169	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	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03940	7.4
55.01865	6.5
55.05509	20.6
57.03439	8.8
57.07059	1.4
59.04986	1.3
65.03938	3.6
67.05502	45.9
69.03428	16.1
69.07066	15.1
71.01339	1.4
71.04997	6.0
76.44680	0.9
77.03932	1.1
79.05491	39.8
79.94750	1.0
81.03415	75.6
81.07053	56.3
83.04979	17.2
83.08616	18.8
85.02901	12.6
85.06530	2.6
91.05480	32.6
93.07043	38.6
95.04963	18.8
95.08606	14.4
97.02892	16.8
97.06526	8.3
97.10178	5.1
99.04442	4.9
99.08102	2.3
100.25742	1.3
103.05454	7.1
104.05775	2.3
105.03379	1.5
105.04504	1.8
105.07028	19.4
107.04956	4.6
107.08591	23.6
109.02877	14.8
109.06532	4.3
109.10159	4.3
111.04450	12.0
111.08071	10.7
115.05466	2.1
116.04978	2.0
117.07002	8.2
118.06541	3.6
119.04942	3.3
119.08580	15.2
120.08100	56.4
121.06556	5.5
121.08435	16.5
121.10144	13.2
121.82779	0.9
123.04435	1.6
123.08076	2.7
123.11688	2.2
125.09610	4.2
127.03937	7.3
129.05498	1.7
129.07004	7.9
131.04904	3.3
131.08585	13.8
133.06505	3.7
133.10115	8.9
135.08034	2.4
135.11687	6.3
136.07573	2.9
137.06012	1.2
137.07822	1.3
137.09610	1.1
141.06934	1.7
143.08609	2.1
145.06462	2.5
145.10132	4.3
146.06006	7.5
147.06352	2.2
147.08058	2.5
147.11685	9.8
149.09579	4.7
149.13252	14.5
151.11192	1.0
153.12749	3.6
155.08507	1.0
157.10144	6.3
157.46358	0.9
159.11690	6.7
160.40968	1.0
163.11179	4.2
165.05521	1.1
165.09096	1.0
165.12801	1.7
173.04462	2.2
173.13251	1.4
175.11171	6.7
177.12802	3.2
181.12273	4.3
182.08121	1.5
183.08389	1.0
189.11230	2.3
191.10667	3.9
193.12248	23.4
193.13892	1.9
195.13812	7.2
199.14900	1.3
201.12694	1.2
207.49461	1.0
207.65657	1.0
209.11699	2.1
211.13281	43.4
213.14842	1.4
223.07671	1.3
227.12750	8.3
231.13689	1.1
233.15334	1.2
235.13268	1.2
236.10730	1.2
237.11060	1.1
238.12250	1.8
239.12576	2.1
249.14963	1.2
257.15353	1.5
261.14941	1.7
266.11725	1.4
267.15942	6.2
268.13373	4.1
269.13724	3.6
269.17554	10.7
275.16205	1.3
282.11276	1.1
283.15421	2.2
285.16980	2.7
294.11255	2.9
295.11725	2.8
297.17206	1.3
301.14352	1.9
303.15781	1.5
309.12430	1.7
310.12714	1.9
319.15475	1.3
329.15192	1.4
330.15280	1.3
337.16458	1.2
339.18152	3.8
349.66071	1.0
355.13095	1.4
355.17487	9.4
356.13309	1.4
369.24225	3.1
377.19693	2.5
377.26682	1.3
387.25476	1.5
393.19125	2.1
395.20929	2.4
411.20221	6.5
418.18414	2.3
433.29556	2.7
435.27505	1.7
442.18137	2.3
443.27933	3.5
461.28983	20.8
479.30014	12.7
503.30078	1.8
527.30286	1.3
545.31744	1.1
587.31995	2.2
605.33215	6.3
623.34204	100.0
624.34784	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.05509	0.6
67.05495	1.0
74.36339	0.5
81.07053	0.9
88.91439	0.5
91.05499	0.7
95.08627	1.2
107.04959	0.6
107.08572	0.7
119.08527	0.6
127.41500	0.5
131.08594	0.6
136.45563	0.5
159.47406	0.5
169.10139	0.6
179.85347	0.5
389.17621	0.6
391.19476	0.8
401.17761	0.9
414.18420	1.3
415.19324	1.6
416.19846	1.1
417.21286	0.7
419.22748	1.1
420.19083	0.8
428.20218	0.7
429.20932	5.2
430.21729	1.1
431.18738	1.7
433.24353	0.8
434.21017	0.9
435.21436	0.5
443.22662	3.4
444.23489	2.5
445.24423	1.1
447.21893	1.7
449.23761	1.4
457.23996	2.0
458.24954	2.8
459.21643	5.5
460.22778	2.0
461.18704	1.0
461.23492	2.6
462.20651	2.0
463.21399	0.6
470.20709	0.7
471.22229	1.0
472.22571	3.9
473.23337	2.4
474.20438	1.0
475.21362	1.2
476.22064	2.1
477.23050	3.3
485.23517	5.8
486.24316	1.5
487.25293	3.9
489.22955	1.0
503.24384	1.6
517.26221	4.0
519.23920	1.0
531.23743	5.3
535.25769	1.0
545.25519	48.6
546.26270	1.6
563.26434	12.0
577.28290	1.0
591.25665	0.8
605.27582	4.2
623.28638	100.0
624.28992	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.4
52.02557	1.2
53.03948	10.7
55.01870	5.2
55.05514	23.7
57.03441	11.8
61.02926	1.7
65.03938	2.8
67.05508	54.8
69.03426	20.3
69.07069	17.0
69.65514	5.8
71.01353	2.0
71.05000	8.7
73.02921	2.0
79.05493	43.9
81.03420	100.0
81.07057	63.4
83.04990	20.5
83.08620	24.9
85.02905	19.5
85.06528	3.3
85.26864	1.0
91.05487	42.1
93.07045	43.3
95.04975	27.6
95.05572	1.8
95.08604	21.1
95.09174	1.8
97.02894	15.4
97.06539	12.3
97.10152	8.3
99.04475	5.4
99.08094	2.5
101.02341	1.4
103.03991	1.1
103.05489	2.3
105.04493	2.0
105.07030	28.7
107.04954	10.1
107.08592	21.9
109.02883	16.1
109.06519	6.1
109.10170	7.9
111.04441	14.3
111.08099	9.7
113.06034	1.8
115.05473	3.6
117.07011	10.9
119.04926	1.1
119.08583	18.8
119.09354	1.8
121.06490	6.0
121.10134	15.9
123.04470	2.7
123.08088	4.6
123.11742	4.5
125.09666	4.7
127.03899	10.1
128.06235	1.8
129.05521	1.5
129.07013	12.1
131.04857	1.8
131.08583	20.2
133.06534	4.8
133.10136	14.6
135.04428	1.2
135.08061	3.2
135.11702	7.6
137.05913	1.3
137.09663	2.3
141.07007	3.2
142.07800	3.2
143.08553	3.9
145.06552	4.0
145.10130	7.1
147.04442	2.7
147.08093	4.0
147.11681	18.1
149.05989	1.4
149.09653	4.8
149.13263	13.6
151.11252	1.5
153.12785	2.3
155.08562	2.8
157.06477	1.3
157.10143	11.7
159.08089	2.8
159.11702	9.9
161.06035	1.6
161.09665	2.2
161.13297	1.7
163.11235	5.1
165.12799	2.7
165.96432	1.1
166.84521	1.1
167.08501	1.2
169.10197	1.2
171.11702	1.5
173.04521	3.7
173.05916	1.3
173.09714	1.3
173.13269	1.3
175.11174	8.5
175.56581	1.1
177.12767	4.1
181.12294	3.2
183.06633	1.7
183.47264	1.2
185.13341	1.9
185.33832	1.1
189.11353	1.6
189.12807	1.4
191.10655	2.6
193.12231	30.7
193.13884	2.0
193.99969	1.2
195.12061	2.0
195.13870	8.1
201.12781	1.4
203.14288	1.6
209.69440	1.1
211.13278	39.5
213.14851	1.3
223.13214	1.6
227.12805	3.6
229.14374	1.6
231.13704	1.2
233.15466	1.6
249.14958	2.0
257.15475	1.2
259.13327	1.5
261.14865	1.5
267.09094	1.1
267.15897	17.6
269.17487	14.8
270.14865	1.2
273.15018	1.8
275.16486	2.2
283.15463	1.9
285.10178	5.2
285.17178	6.5
286.10495	1.8
301.14362	5.0
303.16083	2.4
309.17001	2.0
321.17154	4.0
337.16592	2.3
339.18164	4.9
349.16736	1.6
351.23270	2.4
355.17740	3.8
369.24167	2.2
377.19879	2.3
387.25406	1.8
393.18909	1.9
395.20682	6.5
398.69870	1.8
399.19690	1.5
411.20328	3.6
413.21829	2.6
433.29727	1.6
435.27606	1.5
443.28000	7.0
453.50772	1.4
461.29065	25.3
479.30130	15.4
503.29965	2.7
551.31067	1.5
569.31390	2.7
587.32562	4.0
605.33099	13.8
623.34271	89.1
624.34760	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
63.36225	0.2
65.90601	0.2
67.05508	0.3
67.65503	0.2
71.08643	0.2
79.05482	0.3
81.07052	0.5
91.05474	0.4
93.07040	0.3
93.52153	0.2
116.34453	0.2
119.08591	0.3
223.12354	0.4
244.01682	0.2
375.16409	0.3
377.17773	0.3
384.70026	0.2
387.15994	0.3
388.16885	0.3
389.17798	0.9
390.18671	0.4
391.19180	1.5
392.19833	0.4
393.20874	0.2
401.17831	0.3
402.18594	0.7
403.19168	1.2
404.20123	0.9
405.16220	0.2
405.21094	1.8
406.21558	0.6
407.22424	1.0
413.17862	0.3
415.19641	1.4
415.92337	0.2
416.20087	0.6
417.16357	0.6
417.21335	2.0
418.17123	0.4
418.22141	0.3
419.17673	0.4
419.22888	2.9
420.23163	0.7
421.23984	0.5
428.15750	0.3
429.21701	1.2
430.17078	1.3
430.22736	0.4
431.17902	2.4
432.19437	1.0
432.24091	0.5
433.20236	5.8
433.25485	0.3
434.20840	0.7
435.22012	0.3
443.17896	1.5
444.18753	1.5
445.19836	3.9
446.21158	2.5
447.21945	4.6
448.23041	1.1
449.23526	0.5
457.20020	0.5
458.20834	6.1
458.30792	0.3
459.21692	5.1
460.17728	0.3
460.22784	4.3
461.19473	0.6
461.24161	0.3
462.20676	0.3
463.21301	1.9
465.23080	0.4
472.22440	0.6
473.23697	1.5
475.21069	1.6
476.21976	1.4
477.22888	2.0
485.23477	0.9
486.24432	0.5
487.24835	0.7
489.18561	0.3
489.23389	0.4
491.24554	0.6
492.25449	0.3
501.23035	0.3
503.24957	0.5
504.25177	0.7
505.21979	0.7
505.26898	0.7
512.21741	0.2
513.23303	0.2
517.22540	0.7
518.23022	4.0
519.24164	0.8
521.21741	1.4
530.23401	0.6
531.23944	0.6
532.24536	0.4
533.25507	7.1
534.25909	0.3
535.27728	1.8
545.25470	4.1
546.25964	1.2
549.25116	0.3
558.22058	0.3
561.24585	0.2
563.26508	5.9
573.24713	0.8
577.28088	0.9
590.25220	0.4
591.26239	0.5
593.26843	0.3
594.24701	0.3
595.29175	0.3
605.27643	10.7
606.27429	0.4
623.28625	100.0
624.28833	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43058	0.4
53.94521	0.3
55.05501	0.5
57.03425	0.5
64.66019	0.4
67.05492	1.0
71.47198	0.7
79.05502	0.9
81.07060	1.3
82.93867	0.4
91.05489	0.4
92.32337	0.4
92.87612	0.4
101.13471	0.4
105.07048	0.7
121.10159	0.4
127.04935	0.4
289.06955	0.4
289.17642	0.6
304.34476	0.4
373.14447	0.4
376.16907	0.5
377.17587	0.7
390.18579	0.9
391.19366	1.2
401.17862	0.5
403.19495	0.6
404.16098	0.5
404.21179	0.6
405.20999	3.3
413.17191	0.5
415.19342	1.8
417.21045	1.3
418.17789	0.6
419.18628	1.5
419.23358	0.6
420.23386	1.2
421.24048	1.1
427.19400	0.5
428.19489	0.5
429.20822	2.9
430.21707	1.3
431.18460	0.6
433.19934	3.9
434.21121	0.6
435.21927	1.0
442.21695	0.7
443.22443	1.3
443.58118	0.4
444.23181	1.5
445.19659	0.5
445.24826	0.7
446.17288	1.0
447.17838	8.9
448.23102	2.4
449.23376	1.6
452.21875	0.8
457.23972	1.5
458.24930	0.9
459.21603	3.5
460.22537	2.9
461.19394	9.7
462.20367	0.6
463.21341	1.4
472.22864	1.9
473.23419	1.3
475.21326	1.9
476.22092	20.5
477.22495	2.7
479.20773	1.2
485.23563	4.5
487.25311	2.3
488.21841	0.6
489.18896	0.6
500.22409	0.5
503.24683	3.4
515.24445	2.6
517.26123	1.3
518.22778	0.5
519.23932	1.6
521.26239	2.5
531.23871	7.5
535.24200	0.6
545.17297	0.8
545.25549	13.2
547.26978	0.8
549.24957	3.8
559.23389	1.8
563.26489	8.1
564.26929	0.5
591.26001	10.5
605.27631	2.1
623.28650	100.0
624.28888	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53155	0.3
60.53613	0.4
71.32620	0.7
72.23825	0.4
73.89886	0.3
74.56416	0.3
83.08212	0.3
104.21545	0.4
161.30273	0.4
223.12378	0.5
236.13123	0.4
237.13667	0.4
239.15579	0.4
273.87482	0.4
374.16678	0.6
377.17365	0.5
378.18475	0.7
386.15579	0.4
389.18134	0.9
390.18726	0.8
391.19055	2.0
392.19843	1.7
393.20663	0.8
399.15726	0.5
400.16879	0.7
401.17517	1.3
402.18735	0.5
403.19846	0.7
404.20679	1.2
405.21060	2.8
406.21338	2.8
407.22296	8.4
413.17612	1.6
414.18533	1.7
415.19281	3.8
416.20023	1.0
417.20868	0.8
419.22363	1.4
420.23050	1.1
421.23846	7.5
422.24344	1.8
427.19263	1.9
428.20273	2.5
429.20825	8.4
430.22110	1.7
431.18414	1.0
433.15503	0.4
433.24231	1.1
442.21680	1.1
443.22504	5.8
444.23480	3.5
445.20563	1.0
447.17169	1.7
455.18524	1.2
456.19101	1.3
457.19241	0.8
457.23853	2.5
458.25107	4.8
459.21774	6.2
460.22412	1.5
461.18961	3.3
462.20627	1.3
463.21155	1.2
470.20944	1.1
471.21652	1.4
472.22491	4.8
473.23291	1.6
475.21191	4.3
476.21518	3.2
477.22601	2.5
484.18707	0.6
485.23523	11.8
486.20471	2.3
486.24121	1.7
487.21368	1.2
488.22006	1.3
489.22812	2.6
493.26465	0.6
499.21234	3.0
500.22437	1.9
501.23044	0.4
502.23654	1.0
503.24435	5.8
504.25607	0.9
508.28049	0.7
513.22852	2.5
514.23663	1.3
515.24316	0.8
516.22339	0.4
517.26453	6.1
521.25592	0.5
529.25842	1.3
530.22876	0.7
531.24139	0.8
535.26935	4.1
545.25482	67.7
546.25952	1.4
562.25555	0.8
563.27008	0.6
564.27319	1.4
573.24939	16.5
591.26123	1.5
605.27557	82.9
606.27899	1.3
623.28601	100.0
624.28723	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2841
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
50.18553	0.7
57.83496	0.7
61.85291	0.9
66.60781	0.7
68.56712	0.7
70.74794	2.2
71.18198	0.7
74.23153	0.8
111.08231	0.7
136.39238	0.9
152.39172	0.7
164.06221	0.7
190.71609	0.8
237.13927	1.0
239.15382	0.8
249.13893	1.1
263.52164	0.8
265.13867	1.0
287.20178	0.8
329.15167	0.8
377.17609	0.8
391.19510	1.6
404.15976	1.2
405.16403	0.9
405.20963	1.1
407.22406	1.4
415.19141	1.1
418.17630	1.4
419.18616	2.8
420.19168	1.1
430.17255	1.0
433.20456	1.8
435.21350	0.9
446.17288	2.3
447.18219	4.4
448.18512	2.6
448.23117	1.0
449.23859	1.5
456.19092	0.9
460.17975	1.2
461.19202	4.4
462.20059	4.4
463.21252	6.1
475.21301	3.6
476.21878	9.2
477.22971	9.2
478.23224	2.2
489.23206	1.5
490.23471	1.1
491.24448	1.1
503.24915	0.9
520.23773	1.2
521.25714	1.3
534.21881	1.0
535.24091	3.6
536.23700	3.7
545.25537	3.3
547.26733	2.4
548.23615	1.2
549.24896	2.9
550.25494	3.1
561.19989	1.0
563.26593	14.5
564.26733	4.6
579.29456	1.3
591.25928	7.5
594.24811	2.7
595.28833	2.9
605.27191	4.4
608.25958	2.6
623.28510	100.0
648.87177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.2
52.74099	0.2
58.08070	0.2
58.11930	0.2
65.03918	0.3
67.05508	0.2
69.72334	0.7
69.72739	0.3
74.02428	0.4
77.03903	0.2
78.32474	0.2
79.05486	0.8
81.03423	0.4
91.05482	9.0
93.07047	1.9
95.04993	0.5
98.20889	0.3
100.60426	0.2
103.05470	8.7
103.06159	0.4
105.03397	1.3
105.04561	0.3
105.07016	1.1
106.06560	0.4
107.04984	0.9
115.05482	0.6
115.63645	0.2
116.04220	0.4
116.04978	4.1
117.05763	0.9
117.06978	0.3
118.06542	8.0
119.04962	2.1
119.07320	1.7
120.08108	100.0
121.06518	1.8
121.08446	0.5
123.04436	0.9
126.68484	0.2
128.04924	1.3
130.06540	1.5
131.04926	3.0
132.05733	0.3
132.08064	0.3
134.06024	0.7
136.07585	7.2
141.06908	0.2
144.04506	0.4
146.06017	20.2
147.04443	0.4
148.07539	0.4
159.06906	0.2
162.05504	3.3
164.07129	0.2
165.05490	1.3
165.06848	0.3
167.08539	1.3
169.10175	0.7
170.06030	0.5
172.03928	2.0
173.07034	0.2
174.05568	0.2
175.08636	0.3
178.07845	0.2
179.08574	0.6
181.10146	0.4
182.08177	2.4
182.09619	0.4
191.08438	0.3
193.10168	0.5
195.08052	0.7
197.09729	0.3
199.56972	0.2
203.08626	0.4
205.10252	0.3
206.09694	1.4
208.11227	2.1
209.09628	0.5
218.09715	0.4
219.08049	0.3
220.11179	1.9
221.09660	0.9
222.12752	0.4
223.07530	2.5
224.10793	0.2
228.10190	0.7
236.10744	3.0
237.13884	0.2
238.12286	3.7
248.10719	2.2
250.12659	0.2
264.10333	0.4
265.08585	1.7
265.13297	1.3
266.11737	3.6
268.13327	11.7
270.11282	2.6
275.11703	0.2
276.10114	0.3
281.12909	0.7
282.11267	3.0
283.14529	0.2
293.12869	2.6
293.98044	0.2
294.11252	9.9
299.13785	0.2
308.82959	0.2
309.12323	5.1
329.14960	4.2
335.80850	0.2
337.11853	0.3
339.13351	0.5
355.12888	3.4
371.61383	0.2
385.19135	0.7
400.15396	0.2
413.18533	0.8
417.18097	3.5
429.18134	1.1
441.18109	4.6
447.18839	0.2
474.20395	0.9
475.18848	0.6
492.85638	0.2
502.19897	0.7
594.25983	0.7
622.25073	1.9
622.33691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05508	3.0
57.03440	0.5
58.99576	1.3
65.19900	0.3
67.05494	0.9
68.66783	0.4
69.03439	2.3
69.07058	1.0
70.02956	2.2
70.06586	0.9
70.12943	1.1
70.13331	0.9
73.01117	0.5
73.02908	0.5
76.02214	0.4
79.05473	1.3
81.03409	0.5
81.07053	0.9
83.04988	5.4
84.08112	0.5
85.02913	2.2
88.03997	17.8
91.05483	2.6
93.07040	1.4
95.04962	0.5
97.02891	1.4
98.97596	0.9
99.02691	0.7
103.05470	0.8
104.67170	0.4
105.06317	0.8
105.07033	14.2
106.07826	0.7
107.04944	0.7
107.08603	7.1
108.08092	1.4
111.02673	3.1
115.03910	0.7
116.98644	0.4
117.07018	0.9
119.04918	0.6
119.08588	8.4
120.01154	0.7
121.06494	0.6
121.10136	2.2
122.02706	1.3
122.09652	1.1
123.08013	0.5
124.07544	0.5
125.04214	3.7
126.03742	0.4
129.07025	0.6
131.08560	1.9
131.96553	0.4
133.06522	2.4
133.10129	3.6
135.08041	0.7
135.11658	0.4
137.04204	18.0
139.04001	0.9
139.05760	13.4
140.05296	1.3
141.07285	0.7
144.09314	0.6
145.10130	3.3
146.02614	0.4
147.04431	0.9
147.08054	1.2
147.10506	0.7
147.11691	11.8
148.07857	0.4
149.04175	0.7
149.13171	0.6
150.09149	0.6
151.05797	1.4
155.05211	0.5
159.08078	0.5
159.11685	6.4
160.12471	0.8
161.09636	2.8
161.13261	8.8
163.03944	0.8
163.05789	1.4
164.06424	0.6
165.03677	0.7
165.07327	1.5
165.12769	0.9
166.06871	2.4
166.08112	0.4
167.05273	2.1
170.08057	0.8
171.11717	1.3
172.04234	0.8
172.08893	0.7
173.09659	0.8
174.10431	0.7
179.08891	4.4
180.08418	1.3
181.10463	7.3
187.11194	4.9
188.11934	1.5
189.05444	0.4
189.12749	17.0
191.05179	0.5
191.14293	5.4
193.10466	3.9
195.04764	0.7
205.10478	1.2
205.14671	2.3
206.15396	0.9
208.07954	1.8
209.06361	0.7
212.07440	6.7
221.09964	9.4
223.11526	21.2
225.07556	0.5
226.08995	5.0
235.07924	0.9
237.02887	0.7
238.12320	0.6
247.11652	0.8
251.10985	1.1
252.10594	4.5
254.08617	0.8
264.14252	1.6
292.13571	1.2
293.12088	3.2
298.14444	1.8
308.12082	0.4
310.14722	100.0
311.15121	0.7
323.72958	0.6
622.21948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	2.2
55.01873	7.0
55.05513	12.6
57.03443	22.5
57.07081	24.2
65.03929	3.2
67.05181	4.3
67.05508	45.5
67.40571	2.2
69.07066	9.2
71.07593	2.8
71.07925	2.6
71.08643	16.6
76.13142	2.1
79.05496	18.1
81.07063	29.8
83.04995	2.4
83.08611	8.7
85.06548	11.6
85.10189	7.2
89.06017	2.8
91.05490	21.8
93.07042	21.5
94.07314	1.9
95.04971	50.4
95.08612	23.5
97.06549	3.3
97.10154	4.0
98.20741	2.8
105.07033	15.1
107.04965	8.5
107.08589	14.0
109.06524	58.3
109.10155	9.7
111.08090	2.6
113.06010	25.2
115.05463	2.8
116.46291	2.0
117.07025	7.5
119.08585	9.3
121.06544	4.9
121.10168	3.8
128.06256	2.8
129.07018	5.5
131.08589	14.2
133.10138	8.0
135.08061	39.4
135.11699	7.0
143.08565	6.3
145.10150	9.8
147.08046	3.2
157.10149	5.4
159.11671	5.0
161.09615	6.9
169.10007	2.5
171.11729	3.3
187.11150	2.1
195.13718	2.0
199.14789	3.1
217.15868	12.5
245.18991	3.0
255.17393	2.5
267.69254	2.1
273.18497	39.2
277.08362	2.7
291.19537	100.0
313.27371	46.6
347.22232	6.1
365.23227	10.6
529.31421	2.1
585.44958	8.0
603.46149	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.2
53.14167	0.9
55.01877	5.7
55.05510	18.7
57.03436	8.8
59.12335	0.9
64.23185	1.1
65.03928	1.3
67.05505	28.7
69.03417	14.1
69.07066	8.7
69.18457	10.3
71.01351	1.4
71.04998	6.9
73.02929	1.4
79.05025	1.0
79.05491	31.3
81.03416	100.0
81.06593	2.0
81.07054	31.4
83.04981	16.3
83.08615	18.5
85.02437	0.7
85.02905	17.0
85.06550	1.2
87.04454	1.3
91.05480	35.9
91.06031	2.2
93.07046	25.5
95.01360	1.0
95.04965	28.3
95.08603	10.4
97.02886	15.0
97.06509	5.8
97.10179	8.6
98.21522	2.4
99.04460	3.5
99.08057	1.0
101.17421	1.0
103.05476	2.4
105.04491	1.1
105.07029	25.2
107.04964	12.1
107.08598	11.4
107.58276	1.1
109.02876	26.4
109.06514	5.9
109.10139	4.1
111.04436	9.2
111.08083	7.8
113.05991	1.3
115.05451	3.6
117.07018	7.4
119.04934	2.3
119.08582	19.0
120.49004	0.9
121.02872	1.9
121.06509	5.1
121.10128	8.6
123.04420	6.1
123.08060	3.5
123.11759	2.1
125.02378	3.1
125.09637	6.9
127.03917	7.3
128.06270	2.0
129.06989	16.1
131.04932	3.4
131.08557	13.6
133.06517	6.6
133.10135	11.0
135.04478	1.3
135.08080	2.8
135.11702	3.3
137.06050	2.2
137.09630	1.7
141.07019	2.8
142.07758	3.7
143.08595	4.7
145.06526	5.0
145.10114	5.5
146.20889	1.0
147.04419	2.8
147.08022	5.1
147.11697	17.2
149.06013	3.7
149.09619	6.5
149.13199	1.0
153.07051	1.2
153.09094	1.3
155.08562	3.2
157.06487	2.9
157.10133	11.7
159.08072	3.0
159.11563	1.1
161.06021	3.9
161.08260	1.0
161.09639	2.7
161.13359	1.4
163.03896	1.0
163.07526	1.3
163.11192	4.3
165.12766	4.3
167.08614	1.5
171.08035	1.9
171.10219	1.0
171.11679	2.7
173.04482	8.1
173.06058	3.4
173.09610	3.0
173.13213	0.9
175.07573	1.6
175.11186	12.0
177.12721	1.4
181.10185	2.4
181.12186	1.1
183.11673	1.9
185.05994	1.4
187.11206	1.5
189.05504	2.9
189.11214	2.8
189.12790	1.7
191.10721	3.2
193.12245	33.5
195.11693	1.1
199.11209	1.5
201.12627	1.1
205.12392	1.7
207.13841	1.4
209.11664	1.8
211.13289	41.3
213.12807	1.2
215.14365	1.1
223.11153	1.0
225.12863	1.2
227.12601	5.9
227.92540	1.0
235.13359	2.4
241.12340	1.4
243.13997	1.3
249.14900	1.9
255.13837	3.6
259.13370	2.8
267.15942	14.8
271.13306	1.3
273.14865	9.0
277.14334	2.5
283.13269	1.4
285.17068	10.5
289.14316	1.4
291.16141	1.1
301.14334	16.0
303.16089	1.4
309.16901	1.3
319.15347	6.5
337.16522	5.2
355.17709	1.4
357.17136	1.5
367.22815	2.8
375.17786	6.0
385.23807	2.8
393.19168	5.1
403.25089	1.8
411.20099	2.9
459.27460	9.5
475.25330	1.2
477.28506	7.7
495.29431	7.1
501.28320	1.4
519.29944	1.4
529.28278	1.5
539.29926	1.8
543.29364	1.8
557.30957	1.5
567.29376	2.8
573.30487	2.9
585.30475	9.7
603.31567	15.0
621.32672	80.5
622.32593	2.1
625.28644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78581	0.3
52.28083	0.3
53.03931	0.5
55.05488	0.4
67.05501	0.6
69.03429	0.7
69.07036	0.4
77.03927	0.5
79.05495	0.9
81.03426	0.9
81.07052	0.7
82.57978	0.3
85.02898	0.8
91.05483	14.5
93.07063	2.4
95.04970	1.3
95.08598	0.5
97.02878	0.9
97.06524	0.5
98.21513	0.8
98.97564	0.5
103.05467	9.0
105.03370	0.9
105.04510	0.4
105.07038	1.6
106.06595	0.5
107.04961	0.7
107.08593	0.6
109.02871	0.3
109.06535	0.5
115.05453	0.9
116.04982	2.1
117.05763	0.9
117.07075	0.3
118.06545	20.4
119.04947	2.1
119.07356	1.8
119.08622	0.5
120.08109	100.0
123.04416	0.9
127.03873	0.5
127.57354	0.4
128.04962	1.1
129.06990	0.3
130.06528	11.3
131.04910	2.5
131.07327	0.8
131.08589	0.4
132.05626	0.7
135.06787	0.3
135.11772	0.3
136.07596	8.6
137.06085	0.3
142.06506	0.4
144.04434	0.5
144.08160	0.3
145.02818	0.4
145.10164	0.4
146.06015	36.1
147.04414	1.0
147.09174	2.8
148.07593	0.6
148.11267	0.9
159.09213	0.4
159.11650	0.3
162.05504	2.2
163.03896	1.2
164.07103	1.3
165.05498	1.8
165.06853	0.5
167.08574	0.4
169.10139	0.5
170.06041	0.4
174.05582	0.3
175.08687	7.3
177.05507	0.5
179.08551	0.7
181.10069	0.4
182.08125	3.2
188.06978	0.3
189.05486	0.4
191.08493	0.5
193.10252	0.5
194.40054	0.3
196.38242	0.3
197.09665	0.5
203.08618	0.5
205.10178	0.8
206.09715	1.4
208.11189	4.0
213.05397	0.4
218.09779	0.4
219.08171	0.4
220.11232	3.9
221.09656	1.3
222.12790	4.0
223.07660	0.4
225.09151	0.6
228.10307	0.7
230.09657	0.3
236.08463	0.3
236.10692	1.9
237.03006	0.3
237.13905	0.4
238.12230	3.1
247.12292	0.4
248.10725	5.9
249.14029	0.6
253.13455	0.3
259.09717	0.4
264.10114	0.3
265.08887	0.6
265.13394	4.0
266.11801	2.4
266.14249	0.7
267.14935	6.4
270.11249	2.8
275.11826	0.6
276.10291	1.1
277.13342	0.4
281.12936	0.6
282.11343	1.4
283.14627	0.4
293.12845	22.2
298.51895	0.3
299.13992	0.9
309.12238	2.9
311.13574	0.9
321.12164	0.6
324.72913	0.3
329.14941	4.9
355.12326	1.9
395.17380	0.4
403.63657	0.3
412.20160	0.6
417.18048	3.2
429.18356	1.1
440.19675	3.0
458.20630	0.6
474.20282	12.6
502.19757	22.3
593.27478	0.8
604.24463	0.8
621.27148	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	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05515	0.9
56.97317	0.5
67.05492	1.7
69.07051	0.7
71.55743	0.9
79.05486	1.4
81.03410	0.9
81.07056	1.2
91.05488	1.2
93.07030	1.2
95.08616	0.7
109.10193	0.6
117.07004	0.7
131.08499	0.6
133.10289	0.6
135.11688	0.6
143.08588	0.6
223.12439	0.6
308.21915	0.6
317.59024	0.5
374.15271	0.9
387.16357	0.9
388.17151	0.9
389.17676	2.0
390.18497	1.4
390.55893	0.6
402.18686	0.8
403.19281	3.8
404.20148	2.5
405.20795	2.0
406.21347	0.7
415.19482	1.0
416.15939	0.8
417.17038	2.3
417.20993	2.3
418.17599	0.9
419.22464	5.8
430.17480	0.9
431.18286	6.0
432.19583	2.1
433.20270	1.5
443.18936	0.7
445.20068	5.3
446.21057	5.0
447.21738	7.7
459.17191	0.7
459.22208	1.7
461.19620	1.3
464.73032	0.6
473.19479	0.9
473.24304	0.6
474.20276	4.3
475.21286	6.8
486.41360	0.6
487.21350	2.4
491.20480	1.1
501.22894	1.6
505.26013	0.9
529.21979	0.7
533.25476	15.0
534.26190	0.7
561.24945	21.4
562.25293	0.7
563.14038	0.6
565.28778	0.8
593.27423	1.6
621.27026	100.0
621.38513	3.4
622.27374	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.67704	0.8
55.05510	1.3
57.03425	1.4
57.07085	4.5
67.05505	3.3
68.86153	0.9
69.24278	0.8
71.08629	3.8
71.56484	0.9
79.05518	1.5
81.03419	2.9
81.07056	3.7
83.04966	1.1
83.08575	2.2
85.10192	1.2
91.05488	2.7
93.07025	1.2
95.04965	1.4
95.08627	4.1
98.98464	1.4
101.87375	1.0
105.07052	1.7
107.08636	1.2
109.10156	1.6
119.08601	1.9
130.07706	0.9
130.13150	0.8
131.08662	1.1
133.10127	1.0
142.07849	0.8
155.01047	1.1
166.91917	0.8
193.12318	1.9
211.13336	4.1
234.92146	0.9
267.15817	1.2
305.59189	1.0
313.27750	0.9
388.16876	1.5
389.17728	2.7
402.18936	1.3
403.19180	3.6
404.20029	2.0
405.20987	1.5
415.19278	1.1
417.21295	2.2
419.22400	4.7
431.18448	2.9
431.23172	1.5
445.20227	3.8
446.21118	2.5
447.21649	6.2
459.17917	3.0
461.20203	2.2
474.20392	7.4
475.21335	10.9
487.20956	1.5
488.21759	1.0
501.22617	2.5
505.26385	1.9
505.38971	2.8
519.20062	1.2
523.39819	14.4
533.25427	6.8
561.24963	32.6
621.27063	100.0
622.27295	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	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.72231	0.3
71.05502	0.4
160.25967	0.3
221.10799	0.4
277.77505	0.3
374.15515	0.4
375.16263	0.6
387.16312	0.8
388.16974	1.4
389.17627	2.8
390.18478	1.4
391.19083	0.4
401.18100	0.9
402.14307	0.4
402.18683	1.1
403.19440	4.3
404.20242	1.6
405.20657	2.5
415.19504	0.8
416.15585	0.4
416.20395	0.9
417.17032	3.3
417.21054	2.6
418.17456	0.9
418.22198	0.7
419.22379	6.3
420.23032	0.5
429.17001	0.6
430.17670	1.0
431.17981	5.5
432.18951	2.6
433.19998	2.0
443.18875	0.4
444.19455	0.7
445.20132	5.6
446.21002	5.9
447.21808	8.7
459.22876	2.4
460.23163	0.6
461.19852	1.2
473.18576	1.6
474.20303	5.0
475.21298	7.6
487.21304	3.1
488.21924	0.8
491.20844	1.4
501.23114	1.9
505.26035	1.0
518.22906	0.7
519.20898	0.6
533.25500	14.9
546.22577	0.7
561.24976	20.5
562.25635	0.8
589.24609	1.0
593.27527	3.3
621.27057	100.0
622.27393	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.6
55.05468	0.5
57.31543	0.5
67.05444	0.9
69.07015	0.5
71.08575	0.6
75.70625	0.4
81.07001	1.2
91.05428	0.6
93.06976	0.5
95.04920	0.6
95.08543	0.7
98.21542	1.0
113.05968	0.5
126.41270	0.4
207.09094	0.4
209.10779	0.5
225.10175	0.5
232.65076	0.4
235.12230	0.8
257.67117	0.4
270.04633	0.4
273.18585	0.6
291.19427	0.9
313.27277	0.7
362.15897	0.5
374.15524	0.5
375.16229	0.9
386.16513	0.7
387.16049	1.0
388.16809	1.5
389.17545	3.4
390.18448	0.8
391.18912	0.9
401.17664	1.1
402.14056	0.7
402.18524	1.7
403.19464	5.6
404.20227	2.9
405.20697	2.1
415.19662	0.9
416.15549	1.9
416.20749	0.8
417.16962	3.6
417.20953	3.5
418.21722	1.0
419.22382	8.7
429.16791	0.9
430.16928	1.9
430.22617	0.8
431.17975	7.7
431.22595	1.3
432.18903	2.6
433.20233	1.6
443.18564	1.3
444.19443	1.2
445.20270	7.4
446.21109	5.0
447.21829	11.3
458.20618	0.6
459.17624	2.1
459.22104	2.5
460.18588	1.0
461.19443	1.2
473.19394	1.6
473.24097	1.0
474.20422	9.2
475.21292	14.5
476.22046	0.7
487.21426	4.0
488.22095	1.4
491.20493	0.6
501.23029	3.2
502.23480	0.5
503.21313	0.8
504.21866	0.7
505.25998	1.9
517.22150	0.6
518.23328	0.7
523.39850	1.0
529.22363	1.0
531.36621	5.7
533.25476	12.7
546.22607	0.8
561.24969	70.5
562.25336	1.8
589.24237	2.0
593.27441	3.0
603.46271	1.1
621.27081	100.0
622.27423	1.8
628.61725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26381	0.4
51.82858	0.4
55.05502	1.4
56.96558	2.8
63.02998	0.4
67.05501	3.1
69.07069	0.8
71.04984	0.5
71.56750	0.7
72.86759	0.4
79.05502	2.0
81.03410	1.0
81.07059	2.8
81.74766	0.4
83.04978	1.2
83.08610	1.1
84.96035	1.7
91.05494	2.4
91.79918	0.5
93.07041	2.7
95.04946	0.8
95.08611	1.9
97.06532	0.6
98.97572	1.5
105.07034	2.0
107.04964	0.7
107.08604	1.6
109.10176	1.1
111.08157	0.4
115.05473	0.4
116.98647	0.8
119.08576	1.3
121.10172	1.8
124.99109	0.8
131.08517	0.8
133.10123	1.3
135.11707	0.8
143.00169	1.5
144.98117	1.0
145.10165	0.6
146.99487	0.4
147.04439	0.9
157.10158	1.3
161.01207	1.2
163.11295	0.6
180.94838	0.4
182.99649	0.7
185.13248	0.4
201.00804	0.9
211.13213	0.7
240.96791	0.8
249.16739	0.5
251.12454	3.9
264.96844	1.2
269.10800	0.4
269.13632	0.9
282.97873	0.9
300.99075	0.9
307.15158	2.2
317.20892	3.3
319.19568	1.3
325.16144	0.7
335.21835	2.2
337.20575	1.4
360.22202	0.5
366.14853	0.5
373.23544	1.9
391.24524	1.7
507.41089	0.5
575.35504	0.6
601.37494	0.8
606.91779	0.6
619.24872	9.7
619.38086	100.0
620.38623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.8
55.01873	11.7
55.05510	32.6
56.96579	1.3
57.03451	7.9
59.04992	2.6
65.03936	2.7
67.05504	39.1
67.08080	1.1
69.03432	20.7
69.07063	7.5
71.01348	1.4
71.04993	6.7
71.55768	1.4
71.56149	1.2
72.30228	1.6
79.05494	42.6
81.03418	81.6
81.07057	36.9
83.01333	4.1
83.04974	19.6
83.08618	24.1
85.02910	14.8
85.06542	2.6
85.30823	1.2
91.05485	34.7
93.07043	31.3
95.04972	28.5
95.08620	16.0
97.02887	18.8
97.06548	5.9
97.10168	20.5
99.04449	7.0
103.05476	4.0
105.03409	1.2
105.04516	2.2
105.07027	21.7
107.04955	23.4
107.08594	17.2
109.02880	27.6
109.06532	9.1
109.10154	7.2
111.04434	9.1
111.08052	6.4
115.05440	4.1
117.07008	13.9
119.04943	4.5
119.08576	17.3
121.02846	2.8
121.06516	12.1
121.10145	11.7
123.04396	8.2
123.08073	9.4
123.11697	1.7
125.02351	11.9
125.06000	1.8
125.09630	16.7
127.03933	9.6
128.06247	2.2
129.06995	15.1
131.04900	8.1
131.08569	13.6
133.06516	6.6
133.10138	9.4
135.04434	2.9
135.08047	5.6
135.11690	8.7
137.02321	1.5
137.05983	2.9
137.22404	1.2
141.06972	2.3
143.08566	5.2
144.05869	1.3
145.06445	9.1
145.10109	14.5
147.04431	7.3
147.08095	6.3
147.11681	10.6
149.05983	4.7
149.09633	4.0
151.03960	1.2
153.09109	3.1
153.12755	5.7
155.08540	3.4
157.06529	4.8
157.10136	7.8
159.04472	2.3
159.08063	5.0
159.11707	3.3
161.05995	7.1
161.09654	3.4
163.03925	1.3
163.07538	1.5
163.11188	17.9
165.05548	1.6
167.08548	2.0
169.06522	2.3
169.10214	2.0
171.08070	4.0
171.10194	1.5
173.04495	4.0
173.06030	5.6
173.09633	5.2
175.03960	1.6
175.07620	3.4
175.11215	4.8
177.05508	1.6
177.12813	1.8
181.06432	1.5
181.10126	1.5
181.12270	4.4
183.08119	2.1
183.11664	3.0
185.05930	2.3
185.09641	1.5
185.13295	2.5
187.07588	2.9
189.05473	16.4
189.09293	1.8
189.11240	8.3
191.10640	6.8
193.12254	14.1
197.06134	1.6
199.07626	3.5
199.11258	1.4
201.12785	1.8
203.14281	1.4
205.12354	3.0
209.11723	5.4
209.13474	1.7
211.07596	2.0
211.11333	2.2
211.13263	14.8
213.09227	1.7
213.12779	3.2
217.12331	1.9
223.13350	1.4
227.12735	12.1
229.12328	2.4
231.13786	2.2
233.11638	1.8
235.13414	2.1
239.10820	1.7
247.13402	1.8
249.14854	2.1
253.12372	1.5
255.13968	2.7
259.13422	2.2
267.15918	10.2
271.13391	3.7
273.14856	11.5
283.15524	20.3
285.14560	1.6
285.17255	1.8
289.14404	6.0
291.16028	2.5
299.12857	2.3
301.14374	12.8
311.16525	2.4
317.13834	2.8
319.15268	12.9
322.04471	1.5
329.17636	2.5
335.15012	1.4
337.16504	2.2
339.15985	5.3
353.16006	2.6
355.22385	1.6
357.17023	1.9
365.21140	2.8
373.16583	1.6
375.18188	3.7
383.22116	10.8
391.17383	2.4
393.19107	8.1
401.23282	5.8
419.23969	1.9
457.25931	5.8
463.25070	1.8
475.26993	14.1
491.24475	1.8
493.28067	10.6
499.27133	4.0
509.25562	3.7
515.25470	1.6
516.08936	1.2
517.28027	2.2
527.26349	4.2
541.28137	3.4
545.27155	2.5
553.27502	2.0
555.29767	3.7
559.29852	1.5
560.41132	1.4
565.28021	3.9
571.28864	4.2
583.29016	11.7
601.30090	21.0
619.31110	100.0
620.31726	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05503	1.6
56.96573	3.2
57.03424	1.2
57.07073	0.6
58.51814	0.4
67.05509	3.6
68.79176	0.4
69.03439	0.5
69.07089	1.9
70.89307	0.5
70.89690	1.1
71.04984	0.8
73.68151	0.3
78.24899	0.3
79.05481	2.8
81.03424	1.5
81.07063	4.2
82.81712	0.3
83.04991	1.1
83.08624	1.4
84.96029	2.9
85.02894	1.1
91.05485	4.5
93.07045	4.5
93.07582	0.6
95.04984	2.0
95.08630	3.4
97.06502	1.0
98.97586	3.3
105.07045	4.4
107.04928	0.4
107.08610	2.5
109.06528	1.1
109.10151	1.9
110.97575	0.4
116.98621	0.7
117.07036	1.3
119.04918	1.9
119.08596	3.9
121.06496	0.7
121.10138	3.1
123.08082	1.4
124.99070	1.0
125.09658	0.5
125.98643	0.4
128.98663	0.5
129.07031	1.1
130.07768	0.5
131.00194	0.4
131.08612	2.0
133.10143	3.5
135.11694	1.3
137.09647	1.0
139.55133	0.4
140.98561	0.6
142.07779	0.8
143.00197	2.4
143.08580	1.1
144.98065	0.9
145.10121	2.2
147.04420	7.1
147.07973	0.5
147.11714	1.6
149.01237	0.7
149.09630	0.8
151.07549	1.2
155.08530	0.6
156.09297	0.5
157.10170	2.0
158.99628	0.6
159.11722	1.7
161.01221	1.4
161.09628	0.6
161.13358	0.6
162.99232	0.4
163.03932	0.9
163.11201	0.9
165.07230	0.5
165.09103	0.9
167.10646	1.0
169.10107	0.8
171.11679	0.6
173.01253	0.8
173.09599	0.6
173.13286	0.7
175.11162	0.8
181.12230	0.8
182.99713	0.9
183.11780	0.9
185.13298	0.6
189.12837	0.5
193.12161	0.6
195.11662	0.6
198.95964	0.8
199.14836	0.9
201.00729	1.3
203.14319	0.7
207.13766	0.5
219.01657	0.5
221.15416	2.5
223.14731	0.8
227.14322	0.4
233.15430	0.6
240.96762	0.6
251.12531	1.7
264.96860	1.2
282.97949	3.5
285.10162	0.7
300.99060	2.0
307.15259	1.2
317.17865	3.0
333.20413	6.9
335.19046	1.0
357.01627	0.5
389.22955	4.5
466.14832	0.4
489.31790	0.4
532.19037	0.4
557.20612	0.6
599.40839	0.9
617.22986	16.5
617.36414	100.0
618.22974	1.0
618.36481	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3658
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
50.06164	0.4
53.03936	0.8
55.05497	1.9
56.96567	4.7
57.03427	1.0
57.07058	0.7
65.03932	0.4
67.05232	0.4
67.05509	4.3
69.07050	1.8
69.34528	3.1
79.05492	3.5
81.03410	1.8
81.07055	4.8
83.04976	1.2
83.08628	0.9
84.96032	3.6
85.02889	2.0
85.06493	0.5
91.05080	0.3
91.05475	3.8
93.06567	0.4
93.07056	4.8
95.04952	1.8
95.08603	3.7
97.06528	1.2
97.10113	0.5
98.21542	0.7
98.97575	2.7
102.97011	0.6
105.07027	4.3
107.08588	3.1
109.06514	0.9
109.10139	2.2
110.97510	0.7
116.98627	0.8
117.06999	1.6
119.04922	1.1
119.08585	3.7
121.06542	0.6
121.10111	2.4
123.08047	1.8
123.11689	0.5
124.99086	1.6
128.98619	0.6
129.06978	1.0
131.00185	0.8
131.08611	2.2
133.10130	3.4
135.02190	0.4
135.08047	0.5
135.11665	1.4
136.99104	0.5
137.09599	0.6
140.98526	0.8
142.07806	0.6
143.00150	2.8
143.08533	1.1
144.98062	0.6
145.10117	3.0
147.04375	3.1
147.08069	1.0
147.11665	1.5
149.09613	0.6
151.07516	1.1
155.00116	0.6
157.10074	2.2
158.99582	0.7
159.11720	1.3
161.01221	1.9
161.13237	0.6
162.99194	1.1
163.03859	1.2
163.11176	1.1
165.09122	1.1
167.10657	0.7
169.10103	0.8
171.11682	0.9
173.13200	0.5
175.11133	0.5
175.14830	0.5
179.02161	0.5
179.08530	0.5
180.94867	0.7
181.10104	0.5
181.12163	0.9
182.99623	1.0
185.13196	0.8
187.14810	0.8
189.12677	0.6
193.12265	0.8
195.11740	0.7
196.12262	0.5
198.95796	0.9
201.00745	2.1
203.14282	0.5
211.14767	0.5
215.14542	0.5
215.17850	0.5
219.01692	0.6
221.13411	0.5
221.15337	2.4
233.15408	0.6
240.96857	0.7
242.98416	0.6
246.95992	0.6
251.12521	1.1
264.96893	1.8
282.97928	3.7
300.99088	2.2
307.15100	1.4
317.17972	4.3
333.20370	8.2
335.18887	1.5
346.63144	0.4
357.01495	0.6
358.20490	1.2
375.02835	0.9
382.19327	0.4
389.23242	3.3
434.33447	0.4
599.40857	0.6
617.22833	18.4
617.36298	100.0
618.23053	1.0
618.36194	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	616.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06643	1.2
53.03940	2.5
55.01870	1.5
55.05513	11.7
57.03442	14.5
57.07076	20.4
59.20102	1.3
62.86072	1.2
67.05511	17.1
69.03421	1.5
69.07073	15.8
71.05010	1.5
71.08638	13.7
71.41479	3.3
76.03996	1.8
79.05505	12.0
81.03419	64.4
81.07056	19.1
83.04987	4.9
83.08627	20.6
85.06571	1.5
85.10191	7.3
91.05482	10.9
93.07053	8.6
95.04966	18.4
95.08617	21.4
97.06526	3.0
97.10160	6.0
105.07018	10.1
107.04979	2.3
107.08595	6.6
107.56871	1.3
109.06532	2.6
109.10156	8.6
111.04435	2.4
111.08073	5.3
111.11667	1.6
119.08570	9.4
121.06540	2.0
121.10121	9.9
123.11697	3.0
125.09624	1.6
129.07016	6.5
131.08560	5.8
133.10110	4.1
135.11649	2.5
142.07797	1.6
147.08055	3.4
147.11671	5.8
149.09676	2.9
157.10133	7.6
175.11214	8.0
193.12216	21.0
236.14081	1.4
249.14748	2.4
266.19598	1.2
267.15924	100.0
313.27362	51.4
339.28925	36.6
388.66473	1.3
454.96063	1.5
505.38898	49.6
531.40497	37.5
549.41534	2.9
616.49786	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79321	1.7
53.03949	3.2
55.05515	15.0
57.03423	4.7
57.07058	6.6
67.05507	39.4
69.07079	22.5
71.08641	4.1
79.05495	21.4
81.06598	4.4
81.07057	47.2
83.08618	13.9
85.06519	3.1
89.06007	2.9
91.05469	16.2
93.07046	33.2
95.04955	3.4
95.08612	36.1
97.06512	2.4
97.10143	7.2
105.07029	15.0
107.08599	19.7
109.10169	16.2
113.09755	2.2
115.34140	2.0
117.07008	5.2
119.08582	13.3
121.10151	16.5
123.08053	2.8
123.11737	5.7
131.08585	10.0
133.08568	2.4
133.10098	11.1
135.11696	10.9
143.08551	3.0
145.10124	10.6
146.19527	2.2
147.11693	9.6
149.13258	7.3
157.10147	2.7
159.11703	6.4
161.13280	6.2
163.14865	3.1
171.11594	3.0
173.13293	4.2
175.14876	4.0
185.13219	3.2
187.14838	2.9
197.13165	2.5
243.21465	2.5
259.20596	3.5
261.22144	6.4
263.23602	2.3
277.21628	4.6
297.38214	2.0
301.25281	3.3
317.24799	2.5
335.25787	6.5
337.27359	9.7
351.96722	2.1
523.44983	5.0
541.46375	3.6
597.48633	8.5
615.39679	4.7
615.49811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05513	17.4
57.03437	4.1
57.07070	5.9
65.03957	1.3
66.49045	1.3
67.05504	40.4
69.07063	17.5
71.08631	2.7
79.05493	19.0
81.07058	42.3
81.07534	2.7
83.08628	11.1
85.07663	3.0
85.10162	1.6
89.06023	2.3
91.05486	19.6
93.07047	27.2
95.04955	2.4
95.08612	37.7
97.06511	3.6
97.10172	5.4
98.20728	3.1
105.07030	14.9
107.08595	18.4
109.10163	18.9
111.08156	1.3
117.07016	6.3
117.21832	1.2
119.08591	15.8
121.10132	13.4
123.08111	1.4
123.11687	6.6
131.08572	10.5
133.10120	15.9
135.11685	11.1
137.13248	2.0
143.08594	2.2
145.10118	12.1
147.11687	9.2
149.09554	1.4
149.13248	7.0
156.69408	1.4
157.10077	2.6
159.11673	6.8
161.13277	8.0
163.14821	2.1
169.10060	1.5
171.11754	2.8
173.13289	6.3
175.14839	4.2
185.13374	2.1
187.14851	3.5
189.16422	1.3
189.36217	1.3
191.18022	2.2
201.16420	1.8
226.95206	1.5
241.19641	1.8
243.21172	2.4
245.19185	1.3
259.20700	3.5
261.22238	9.0
273.34146	1.3
308.38034	1.4
317.24728	2.0
321.24561	1.6
333.24350	2.3
335.25949	5.7
337.27185	8.2
339.29031	3.6
341.00238	1.2
447.13431	1.4
523.45142	3.4
531.40338	1.8
545.42163	1.4
597.48999	10.9
615.49817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.05510	14.9
57.07080	11.5
59.05011	12.7
65.37005	2.3
67.05506	22.0
69.03428	7.2
69.07060	11.9
71.55831	3.6
73.06555	3.3
79.05487	15.4
81.07061	26.4
83.04997	4.4
83.08645	7.3
85.06544	20.5
89.06053	9.6
91.05476	31.0
93.07047	43.8
95.04992	9.7
95.08603	36.5
97.06523	3.9
99.08120	3.6
104.55030	2.4
105.07037	38.8
105.07700	3.4
107.08601	35.0
109.06526	8.4
109.10172	16.0
111.08089	7.5
113.73722	2.6
115.05516	2.3
117.07047	10.3
119.08591	56.6
121.06504	4.0
121.10140	25.2
123.08084	28.0
123.11681	3.3
125.09662	10.5
128.06221	5.5
129.07036	9.0
130.07837	2.8
131.08553	23.2
133.06516	2.9
133.08617	3.4
133.10129	40.6
133.11098	3.1
135.08057	11.6
135.11719	13.8
137.09660	11.0
139.11211	3.0
141.06987	4.3
142.07820	7.7
143.07689	2.5
143.08572	13.9
144.09428	3.1
145.10126	29.5
147.08014	15.5
147.11713	13.4
149.09659	10.5
149.13257	4.3
151.07562	28.0
151.11272	7.7
155.08591	6.4
156.09389	5.4
156.12480	3.1
157.10126	18.2
158.10970	2.8
159.11697	20.4
161.09692	7.8
161.13252	7.5
163.11192	13.2
165.09111	22.7
169.10161	10.4
170.10904	4.0
171.11688	14.0
173.13300	14.9
175.11221	3.7
175.14769	11.3
177.12717	3.0
179.08597	4.0
179.14383	3.9
180.09280	2.7
181.10173	6.7
181.12296	7.3
182.10954	3.1
183.11787	10.5
183.13806	2.5
185.13326	8.9
187.11162	6.3
187.14937	4.4
189.12839	8.8
189.16458	3.5
191.14391	6.4
193.10164	6.9
193.12236	3.0
194.10959	3.8
195.11789	6.7
197.13303	9.9
199.11313	2.4
199.14903	5.0
201.12770	3.5
201.16518	3.5
203.14301	12.3
207.11922	5.2
207.13907	11.7
208.12627	2.9
209.13326	10.4
211.13214	5.6
211.14980	5.2
213.12691	4.7
213.16196	2.7
221.13335	4.3
221.15359	67.3
223.14949	5.5
223.16870	4.9
225.16428	3.4
227.14346	2.6
233.13309	4.3
233.15416	3.2
235.14926	7.7
237.16454	3.2
244.12474	2.5
247.17061	4.9
251.16469	3.8
283.20651	3.4
299.20230	7.7
347.25980	3.9
347.33978	2.5
356.43610	2.7
375.26971	5.9
390.55405	2.6
491.35327	9.3
583.41187	20.6
597.43030	12.5
615.43945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	4.7
55.01856	5.3
55.05511	12.8
56.96539	2.5
57.03400	6.7
61.02887	8.7
64.48578	2.4
65.03905	2.2
67.05513	17.4
69.03430	38.0
69.07072	12.7
71.04977	5.0
71.55910	2.0
73.02874	6.6
79.05487	19.9
81.03428	14.7
81.07053	23.4
83.04926	5.9
83.08580	5.5
85.02902	80.1
87.04420	4.9
91.05480	32.9
93.07044	28.3
95.04899	7.3
95.08598	32.7
97.02888	28.9
97.06522	4.7
97.10099	3.0
99.04416	3.8
105.07030	65.3
107.04904	3.2
107.08591	33.2
109.02820	8.1
109.06445	7.0
109.10149	15.5
111.04404	4.0
115.03928	18.0
117.07025	13.9
119.08578	73.5
121.06419	10.1
121.10134	18.4
123.07990	6.0
123.11626	2.9
125.05898	4.0
125.09616	3.2
127.03925	13.4
128.06122	8.5
129.05429	4.1
129.07018	13.9
130.07660	2.8
131.07617	2.3
131.08560	36.9
133.06422	3.9
133.10129	37.4
135.07967	8.2
135.11600	6.4
137.05913	5.3
139.07399	2.3
141.06912	5.8
142.07771	18.0
143.08562	47.0
144.09238	2.8
145.04861	6.1
145.06416	3.7
145.09096	3.8
145.10120	46.6
146.10812	3.0
147.07950	9.7
147.11668	20.4
149.05824	2.7
149.09590	4.2
149.13184	3.5
151.07481	5.1
153.06834	2.2
155.08565	15.9
156.09348	14.4
157.10127	47.9
158.10828	3.4
159.07962	7.3
159.10515	2.8
159.11682	43.2
161.09622	12.4
161.13260	64.1
163.11072	3.3
163.14694	4.3
163.25444	2.1
165.06882	4.7
167.08574	4.7
168.09245	4.4
169.10133	21.7
170.10789	10.0
171.11684	36.5
173.09573	5.4
173.13269	26.2
175.11072	4.5
175.14809	58.9
177.08990	6.6
177.12656	3.6
179.08437	4.1
181.10185	11.7
182.10777	4.5
183.11684	35.1
185.09604	3.3
185.13284	42.8
187.11072	10.3
187.14822	38.1
189.09065	5.0
189.12596	6.0
189.16292	3.8
193.09998	4.5
194.10768	5.4
195.11674	10.7
196.12393	3.5
197.13243	18.9
198.13858	3.1
199.11043	5.3
199.14825	37.9
201.12653	5.4
201.16397	17.2
202.16647	2.8
203.14201	3.0
205.11984	3.6
207.11649	6.1
209.13260	11.3
210.14000	3.1
211.14790	14.1
213.12589	6.0
213.16212	8.5
215.14130	3.6
215.17796	3.5
217.12190	4.7
221.13121	10.3
223.14784	10.7
225.12680	3.8
225.16299	11.2
227.14264	4.5
227.17751	7.5
231.13448	2.9
233.13112	5.5
235.14873	4.3
236.15454	2.9
237.16353	4.9
239.13943	3.9
239.17731	7.8
241.19292	4.7
243.13663	5.9
247.14606	5.9
249.16206	7.8
251.17917	32.4
253.19324	6.4
255.20869	8.4
257.15268	3.0
259.14575	4.6
263.17871	5.8
265.19287	9.4
267.20898	5.8
275.18021	3.4
277.19437	12.2
287.17758	3.0
289.19366	5.5
291.20856	4.9
293.00223	2.3
293.18591	3.7
293.21939	2.3
301.18958	2.9
305.22208	5.2
307.24030	2.9
315.20435	2.8
317.18787	3.8
317.22290	4.6
319.23935	5.4
321.25610	2.6
331.24100	3.2
343.23868	3.8
345.25574	4.6
359.27066	4.4
361.21127	2.5
361.25302	3.4
369.25699	4.4
375.22794	3.1
377.27927	2.5
381.25558	4.1
387.26852	38.3
399.26901	18.9
401.53333	2.4
405.27890	55.0
417.27911	35.9
435.28961	65.4
439.34503	4.3
453.30054	28.0
517.92072	2.2
615.31049	100.0
615.45825	4.9
634.30298	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
56.96571	0.3
57.06828	0.5
57.07080	5.3
58.06603	2.1
58.92227	0.4
65.03957	0.6
67.05502	0.6
69.07061	0.4
69.62003	2.1
70.06596	13.9
71.08631	2.3
72.08795	0.3
79.05511	0.4
81.07043	0.4
82.07437	0.4
85.10189	0.5
88.07630	18.4
91.05445	0.5
102.09186	12.1
103.05525	0.4
111.08064	0.4
145.10075	0.4
149.02347	33.2
149.03340	1.2
153.06966	0.3
175.03897	0.6
193.04965	42.5
219.06525	0.8
225.05507	0.6
241.99460	0.4
256.26361	35.5
257.26901	0.5
269.04495	1.5
285.49475	0.4
297.04065	1.9
313.07098	2.6
334.98260	0.4
341.06519	8.3
359.07617	5.7
385.09171	43.2
386.09503	0.4
596.32355	0.5
614.33228	100.0
615.33704	1.3
625.46002	0.4
639.42554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
58.18523	0.4
65.03934	0.7
67.05502	0.8
67.53489	0.3
69.03432	1.1
70.58946	0.4
70.59308	1.4
71.04993	0.4
79.05505	2.1
81.03407	0.4
85.02927	1.0
91.05499	0.7
93.03434	0.5
93.07055	0.5
95.04998	0.4
96.81388	0.4
97.02898	100.0
97.06500	1.4
105.02802	0.4
105.07021	0.5
107.04955	3.7
121.02855	0.5
123.04452	0.5
124.05270	0.6
125.05989	0.7
131.04955	0.6
133.06522	1.3
133.10155	0.5
135.04395	0.5
136.07660	0.6
137.05962	1.0
142.02609	0.6
145.06453	0.5
147.04431	1.3
150.03142	0.5
151.03900	0.9
153.05457	0.9
161.05977	2.6
163.03937	0.8
165.05447	2.3
167.07118	1.4
171.06532	1.0
177.05499	0.9
181.04967	35.8
189.05547	1.0
193.04967	2.2
193.08604	0.9
206.05656	0.7
211.06029	54.9
219.06502	0.7
221.08061	3.7
233.08026	2.5
249.07602	8.9
249.10063	0.7
254.73582	0.4
259.09641	1.0
277.07086	28.2
295.08139	12.2
299.52332	0.4
313.09158	7.9
356.29596	0.5
386.55188	0.4
394.22531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	29.0
59.10994	0.9
61.20173	0.8
67.05511	2.6
70.91595	2.3
71.95261	2.6
79.05499	2.9
81.03402	1.2
81.07050	3.5
84.96014	4.9
91.05454	2.1
93.07041	2.6
95.04935	1.2
95.08595	1.4
98.97584	86.9
105.07048	1.9
110.97559	7.0
112.99129	39.6
116.98621	32.1
116.99453	1.6
119.00278	0.9
119.08569	2.6
121.10121	1.4
124.99109	4.5
126.96992	1.0
128.98561	5.7
131.00168	45.4
131.08542	0.9
133.10143	1.8
134.99701	6.0
140.00191	6.3
140.98570	2.6
143.00177	10.8
145.10245	1.0
146.99663	3.5
147.07944	0.9
149.01219	25.3
152.98543	1.4
154.01715	6.3
155.00171	1.3
158.01271	1.4
158.99651	36.4
161.01207	7.9
167.02264	2.9
168.92842	1.0
170.99651	3.1
172.02789	5.3
173.01242	6.5
175.02808	1.5
177.00716	36.3
182.01340	1.5
182.99721	1.0
185.01219	4.3
187.02843	2.0
189.00676	4.4
191.02252	6.7
195.01776	2.6
199.02776	9.5
200.02383	8.5
201.00610	1.5
203.02214	5.7
206.40271	0.9
209.01184	2.8
214.03894	1.1
215.02231	2.5
217.03850	5.6
219.01746	8.6
227.02272	3.8
233.03329	1.5
237.02815	4.8
240.05463	1.3
255.04002	1.2
255.50786	1.0
260.04404	1.6
268.27582	1.0
275.04410	18.0
291.03830	1.4
293.05432	44.4
311.06509	9.3
316.07062	9.4
317.17859	96.0
334.08063	3.1
335.18900	28.2
358.20486	14.7
359.19345	2.0
377.19910	9.7
391.21619	3.4
403.21295	1.1
451.57947	1.0
480.30206	1.1
497.24289	7.2
553.26837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	30.0
67.05493	1.4
71.95252	2.5
72.96042	0.8
74.97569	1.0
77.60197	0.8
79.05499	1.4
81.07040	2.8
84.96027	6.3
85.78694	0.9
91.05479	2.1
93.07024	1.7
95.08601	1.9
97.96805	1.1
98.97583	81.0
105.07029	1.2
110.97547	6.8
112.99135	32.2
115.92320	0.9
116.98615	29.5
119.08567	2.0
121.10119	1.0
124.99124	3.2
128.98596	7.4
131.00171	42.5
133.10101	1.3
134.99644	7.2
140.00197	6.1
140.98598	2.5
143.00160	9.8
146.99641	3.8
149.01216	25.2
152.98714	1.1
154.01779	5.8
155.00153	1.4
158.01230	1.8
158.99663	43.2
161.01221	6.7
167.02231	2.0
170.99617	3.1
172.02869	4.0
173.01262	6.3
175.02711	1.8
176.99150	1.7
177.00705	33.1
179.02379	1.1
182.99728	1.3
185.01161	3.9
187.02797	1.2
189.00728	2.9
191.02249	5.5
191.13655	1.0
195.01759	3.4
197.01242	1.2
199.02802	8.8
200.02260	6.7
201.00726	1.3
203.02303	6.0
205.03738	0.9
209.01230	3.2
214.03821	1.1
215.02319	3.0
217.03821	4.4
219.01726	10.1
227.02222	2.2
233.03299	2.6
237.02824	8.0
240.05472	1.2
250.03751	1.3
260.04449	1.6
261.21945	1.1
275.04388	17.4
293.05450	51.2
311.06534	9.1
316.07028	9.7
317.17877	100.0
334.08047	4.1
335.18924	29.1
358.20493	13.4
377.20038	7.4
391.21460	3.9
403.21585	2.4
403.87570	0.9
497.24066	4.9
553.26849	81.7
554.27161	1.2
613.33069	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.4
55.01878	10.5
55.05519	31.1
57.03445	29.9
57.07097	6.3
64.35511	5.4
65.57795	5.9
67.05502	100.0
69.07059	45.1
69.26399	29.3
69.26820	27.0
71.04974	10.8
79.05495	75.5
81.03412	62.5
81.07056	93.7
83.04985	23.3
83.08612	39.4
85.02904	35.7
85.06534	8.3
91.05480	84.7
93.07043	83.0
95.04971	43.9
95.08600	50.0
95.56757	5.7
97.02879	7.2
97.06535	20.9
97.10186	10.1
99.08062	7.3
102.09125	7.5
105.07034	64.3
107.04954	15.5
107.08634	31.2
109.06560	8.5
109.10149	16.2
111.04446	7.7
111.08105	12.9
114.62937	6.2
117.07027	27.2
119.08578	49.5
121.10152	22.6
121.48186	6.1
123.08029	8.9
125.09711	6.8
129.07024	20.3
131.08583	29.8
133.10147	33.8
135.11661	20.1
145.10159	21.4
147.04417	17.1
147.11723	29.4
149.09602	24.9
149.13271	12.4
157.10143	24.6
159.11746	21.8
163.11151	13.8
166.29633	6.5
173.13298	8.7
175.11195	19.3
179.14241	7.4
189.11258	6.9
191.07007	16.4
193.12242	68.4
211.13268	61.3
221.03023	6.0
227.12788	18.2
255.15997	10.1
256.26331	9.7
257.19083	10.5
259.13104	8.2
260.13565	6.1
262.49536	5.7
267.15839	33.3
269.17435	19.5
275.20038	39.7
285.16977	68.2
303.04974	13.3
304.05441	22.6
317.19577	10.3
318.19833	16.1
334.17578	7.3
335.26141	6.9
349.23672	27.6
440.27347	7.8
461.28867	11.2
465.28345	13.8
479.30099	58.2
534.83075	6.8
559.36139	23.3
576.39374	7.6
612.36139	12.8
644.17627	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
57.03444	0.5
61.02929	0.3
67.05502	0.9
69.03427	0.4
69.78680	1.6
71.04997	0.8
73.02917	0.5
78.43195	0.3
79.05503	0.8
81.03430	0.7
81.07058	0.8
85.02896	0.9
93.07054	0.6
95.08633	0.4
97.02893	0.6
97.06538	0.3
97.47002	0.3
98.20776	0.3
102.06196	0.3
104.76926	0.3
104.93828	0.3
105.07069	0.3
107.04994	0.4
109.10156	0.7
111.04430	0.4
119.08621	0.7
120.08135	0.3
149.02335	1.5
153.12851	0.3
163.03891	0.6
177.05493	0.4
203.88647	0.3
209.67433	0.3
245.07919	0.8
257.10141	0.5
261.07486	0.3
275.07483	0.7
275.11066	2.0
287.05200	0.5
303.04932	4.0
317.08688	0.7
317.13553	0.6
329.12070	0.5
333.07840	1.8
335.09576	1.0
359.14725	0.4
389.14203	4.2
407.15268	5.0
467.29254	0.3
479.18900	6.0
510.57840	0.4
555.16785	0.5
611.23071	100.0
612.23248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83747	1.3
53.03939	4.4
54.09850	1.3
55.01867	3.2
55.05500	1.7
57.02127	1.4
57.03425	3.7
61.02914	2.1
65.03940	8.9
67.05493	5.8
69.03438	15.6
70.02942	1.4
70.06588	2.9
71.01374	2.4
71.04997	8.5
71.55007	1.5
71.55386	1.4
73.02885	2.7
79.01880	1.4
79.05508	9.2
81.03423	11.0
81.07029	3.3
83.04970	5.7
85.02914	25.3
87.04429	1.3
91.03973	1.2
91.05481	37.3
93.03423	7.5
93.07034	2.5
95.01303	1.5
95.04977	11.6
97.02885	14.8
98.97581	3.6
99.04454	4.4
103.05444	3.5
105.03405	4.5
105.07014	3.5
107.04966	8.7
109.02879	9.8
109.06530	3.3
111.04434	9.4
115.05454	1.4
117.07002	1.6
119.04119	2.4
119.04948	42.6
121.02861	28.9
121.06511	5.0
121.61636	1.4
123.04433	11.9
125.02346	16.6
125.05894	2.0
127.03924	14.1
129.03337	1.9
129.05472	4.6
131.04910	5.3
133.02844	1.5
133.06473	2.3
135.04391	4.6
137.02357	2.7
137.06000	5.2
139.03911	57.3
145.02861	7.7
145.04956	3.8
145.06369	1.2
147.03230	2.7
147.04420	53.9
147.06364	2.6
147.07593	2.8
149.02348	24.3
149.05978	5.6
151.03897	2.4
153.01822	2.6
153.05444	3.3
158.99574	1.4
159.04387	2.4
161.05975	3.7
163.03874	5.0
165.01796	1.5
165.05498	16.5
167.03391	10.8
167.07045	2.1
170.99918	1.3
173.04507	2.1
173.05876	1.6
175.03920	41.1
177.05525	12.3
179.03444	2.8
179.07014	8.2
181.04964	100.0
189.05467	16.8
191.03404	3.0
191.07021	3.4
193.04964	29.3
195.06447	3.1
201.05536	1.8
203.03453	2.2
205.04961	6.0
207.04584	2.0
207.06528	30.6
207.08429	2.5
209.08116	2.1
211.05980	8.5
213.05544	1.6
215.07008	1.8
219.01805	3.2
223.05988	3.5
225.07564	20.2
229.05025	2.4
233.08334	1.5
237.02840	2.1
243.08606	2.7
253.07077	3.0
259.06125	1.9
260.48108	1.4
267.08850	1.3
273.07739	2.2
287.05515	72.9
301.07104	1.8
303.05002	32.6
305.10306	1.4
319.08063	3.9
325.09210	3.5
327.04315	1.3
328.07861	1.2
337.09171	12.4
342.43994	1.4
351.10837	7.8
355.10315	14.9
369.11707	5.8
373.11246	2.0
405.11719	6.5
409.12402	5.6
435.12952	1.6
442.21628	1.6
449.10922	4.5
465.10211	4.3
507.41870	1.4
529.13599	1.8
549.16217	9.6
561.15863	1.6
567.17041	12.5
611.19946	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Rutine
Peak:m/z	Relative Intensity
51.37169	0.3
55.01849	0.3
57.03440	2.2
58.65752	0.3
61.02931	0.7
68.96437	0.3
68.99796	0.5
69.03419	1.1
70.00125	1.5
71.04998	10.7
75.04419	0.3
81.03407	1.0
83.04990	0.5
85.02908	13.3
93.03426	0.3
95.04990	0.3
97.02876	1.3
109.02863	0.5
111.00796	1.1
111.04427	0.5
121.02855	0.9
127.03921	1.1
129.05476	2.8
137.02345	2.7
145.04971	1.0
147.06548	0.9
149.02362	0.5
153.01840	3.2
163.03899	0.8
165.01842	1.7
175.26923	0.3
175.39655	0.3
183.02933	0.7
201.05418	1.3
210.57951	0.4
229.04973	4.4
247.06042	0.7
257.04486	3.1
274.04800	1.3
285.04025	1.2
302.35681	0.3
303.05002	100.0
304.05402	0.7
465.10629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.161
Annotation	Cyanin
Peak:m/z	Relative Intensity
50.21852	0.1
53.03938	0.4
55.01877	0.3
56.60670	0.1
57.03443	0.8
61.02925	1.1
68.99807	0.3
69.03090	0.2
69.03433	2.4
69.91736	0.6
70.06565	0.1
70.56348	0.1
71.04975	0.4
73.02901	0.4
79.05494	0.2
81.03415	1.2
83.01326	0.1
83.04997	0.2
83.05545	0.1
84.04511	0.2
85.02906	6.6
87.04462	0.3
89.12652	0.1
89.43513	0.1
91.03958	0.3
97.02896	2.3
98.97591	0.2
99.04456	0.4
105.03407	0.2
107.04971	0.3
108.43521	0.1
109.02893	0.9
111.00792	0.8
117.03360	0.1
121.02872	2.0
127.03928	1.0
130.04951	0.3
133.02869	0.3
135.04427	0.3
137.02301	0.7
143.86810	0.1
145.04938	0.9
145.05960	0.1
145.06476	0.1
147.04402	0.5
147.07622	0.3
153.00597	0.2
153.01833	2.8
157.06493	0.3
158.99667	0.1
163.03912	1.0
165.01855	1.4
171.04411	0.2
175.07605	0.1
180.96199	0.1
183.02925	0.8
185.05991	0.2
189.05453	0.3
197.06070	0.2
203.03381	0.2
213.05484	1.0
231.06476	0.6
241.04930	0.8
258.05154	0.7
259.06012	0.4
269.04465	0.2
287.05496	100.0
288.05789	0.6
303.04990	1.6
329.06561	0.1
391.11664	0.1
449.10809	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	609.2706
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.68315	0.4
69.83278	0.4
69.86766	1.8
144.21181	0.5
213.14297	0.5
229.13623	0.4
266.52991	0.4
347.15640	0.4
377.17667	1.1
388.17593	0.6
389.18723	0.7
390.18680	0.6
391.19241	2.0
392.20251	1.1
400.16794	0.7
401.17685	0.8
403.19522	1.2
404.20468	1.0
405.21222	3.1
406.21716	2.1
407.22385	3.7
413.17581	0.6
414.18564	0.6
415.19177	2.2
416.20691	0.6
417.21164	0.9
419.18130	0.8
420.23138	1.1
421.23914	4.8
422.24445	0.6
428.20068	1.0
429.20941	3.3
430.21826	1.6
431.22864	0.9
432.19510	1.1
433.15900	0.7
433.20578	1.3
435.21838	0.9
442.21628	1.3
444.23154	1.4
445.20444	1.5
447.18280	2.0
448.18872	0.7
449.23630	1.2
452.21988	0.7
457.24619	2.4
459.21759	2.3
460.22574	1.6
461.19208	6.3
462.20444	2.6
463.20993	0.9
470.21344	0.6
472.22693	1.8
473.19095	1.0
474.20633	1.3
475.21039	7.7
476.21979	6.8
477.22308	3.8
478.23459	1.1
479.24756	1.2
485.23605	9.9
486.20074	2.6
487.21350	0.4
487.25238	0.9
488.22299	1.0
489.22986	5.6
493.22318	0.7
494.26984	0.7
497.23282	0.7
499.21350	2.9
500.22067	1.6
502.23499	0.6
503.24664	5.5
504.24329	1.0
507.24280	0.8
513.22809	1.2
515.24426	9.0
517.22229	1.0
521.25903	3.6
531.23889	16.6
535.23676	0.9
548.24268	0.9
549.24860	2.4
550.25726	5.1
559.23438	7.5
577.24530	1.5
591.26038	27.7
609.27100	100.0
610.27521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01650	1.5
55.01875	12.8
55.05513	23.2
55.39877	1.6
57.03435	12.8
57.07063	1.7
59.05000	2.9
65.03910	3.6
67.05505	50.7
69.03427	4.2
69.07068	21.1
71.01350	2.0
71.05022	7.2
71.30262	1.5
77.49226	1.6
79.05495	51.8
81.03429	14.7
81.07058	60.7
81.07536	3.2
83.01355	8.6
83.04980	17.6
83.08619	16.4
83.42211	1.5
85.02895	4.1
85.06539	3.1
91.05473	36.1
93.07044	64.1
95.04983	16.2
95.08614	27.4
97.02888	3.4
97.06519	15.1
97.10172	4.2
98.21515	4.2
99.04453	3.9
99.08081	3.1
103.05466	1.7
105.04517	1.9
105.07030	31.6
107.04954	11.6
107.08595	31.9
109.06506	12.0
109.10148	10.3
111.04430	2.5
111.08083	5.1
117.07010	17.5
119.08581	25.7
121.06519	7.6
121.10148	20.9
121.10963	2.5
123.08073	12.5
123.11701	3.0
125.09639	4.6
129.07007	5.1
130.07782	2.9
131.08566	17.8
133.10126	21.4
135.08060	4.3
135.11688	21.2
137.09610	4.7
141.07047	1.5
143.08572	5.1
145.10121	26.8
147.08072	3.1
147.11700	8.3
149.09627	8.9
149.13278	6.8
151.11165	1.8
153.12711	2.5
155.08549	2.9
157.10101	2.5
159.11690	7.2
161.09485	1.7
161.13264	3.6
163.03932	2.0
163.11195	31.5
168.15700	1.3
169.10133	1.7
171.11748	3.6
173.09615	3.2
173.13263	4.7
177.12747	3.5
181.12239	3.9
185.13278	3.0
189.11238	2.0
191.10681	3.5
193.12199	2.6
195.13797	4.2
209.11754	9.8
211.13326	3.0
215.65845	1.4
227.12741	9.6
228.14703	1.4
239.17978	3.4
242.68031	1.8
255.15843	8.8
257.19003	6.0
264.14014	1.5
267.15775	3.1
269.17429	11.6
273.18796	1.9
275.20062	28.5
283.15390	66.4
291.19510	1.9
293.21066	1.8
303.05035	3.6
331.22650	2.5
349.23743	24.5
367.24918	2.0
463.26959	22.2
477.28485	100.0
478.28909	1.9
517.31421	3.1
541.22198	1.5
557.34698	15.3
569.31555	1.6
575.35547	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	609.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
54.17441	0.5
55.05504	0.7
67.05505	2.3
69.07085	0.6
71.56090	0.6
79.05476	2.2
81.07046	2.9
85.96072	0.4
91.05472	1.9
91.12156	0.4
92.74709	0.4
93.07040	1.7
95.08599	1.5
105.07045	1.3
107.08602	1.3
109.10148	0.7
115.06095	0.4
117.06956	1.0
119.08598	1.1
121.10167	1.4
131.08575	1.6
133.10132	1.3
143.08546	0.8
145.10097	0.9
147.11670	0.5
150.38338	0.4
157.10193	0.6
159.11676	0.8
195.11795	0.6
275.20160	1.5
310.20013	0.5
377.17487	0.8
390.18628	1.5
391.19193	1.6
392.20059	1.1
393.21445	0.7
401.18054	0.7
404.20810	0.6
405.20868	2.4
406.21472	1.8
407.22269	2.5
415.19342	1.6
417.21356	0.6
419.17856	0.7
419.22458	1.3
420.23315	0.5
421.24033	3.3
427.19125	0.7
429.20804	1.9
430.21793	1.0
431.23047	0.6
432.19821	0.5
433.15643	0.8
433.20309	1.0
433.24857	0.7
442.21533	0.6
443.23071	0.7
444.23322	0.7
447.18134	2.0
448.18793	0.6
449.23245	1.1
457.23740	1.2
459.21661	1.7
460.22372	1.5
461.19333	5.0
462.20108	2.3
463.21323	1.4
471.17911	0.9
473.19925	0.7
474.20413	0.9
475.21045	6.8
476.21628	5.2
477.22266	3.5
485.23691	5.4
486.20560	1.5
488.22296	0.9
489.22934	4.8
493.21872	0.5
494.26474	1.0
497.23407	1.0
499.21255	4.5
500.22034	1.3
503.24643	6.8
504.25797	0.6
513.22504	0.9
515.24280	4.7
517.22546	1.4
517.39813	0.5
521.25763	2.3
531.23773	9.2
531.31403	0.7
541.22205	0.8
549.24731	2.5
550.25708	3.3
559.23688	4.6
563.26501	1.7
577.24353	1.8
591.25934	11.6
609.27039	100.0
609.44873	6.5
610.27716	2.3
618.82739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01862	4.9
55.40293	1.8
56.96557	7.9
57.03435	8.6
59.05001	1.6
61.02910	7.4
65.03926	5.7
67.05495	4.4
69.03094	2.0
69.03433	23.3
69.64520	4.5
69.64931	7.4
70.99863	2.4
71.01362	3.1
71.04974	2.1
72.60667	1.6
73.02918	12.6
79.05513	11.5
81.03407	6.0
82.99869	5.5
84.96021	3.2
85.02437	2.5
85.02915	36.1
85.03413	1.2
87.04464	7.6
91.03951	2.1
91.04910	3.0
91.05480	49.0
94.99874	2.7
95.04964	8.1
97.02905	25.0
98.97589	25.3
99.00815	1.8
99.04446	2.8
101.00881	38.7
103.02414	1.8
103.03938	3.5
103.05473	2.9
105.00369	1.8
105.03361	3.8
105.07053	2.0
107.04938	7.0
109.02878	5.6
110.33159	2.0
110.97569	5.0
111.33916	1.7
112.99158	1.7
113.00883	5.7
115.00679	2.4
115.02441	5.9
115.03909	5.8
116.98621	7.0
119.01930	59.4
119.04948	64.2
120.05222	2.3
121.01622	2.1
121.02897	2.8
123.04412	5.1
124.99076	1.8
125.02338	4.8
127.02410	7.7
127.03910	7.4
128.98604	5.3
129.00281	2.4
129.03319	9.3
131.00267	2.0
131.01932	17.9
131.04918	5.6
133.01704	4.7
133.03482	13.5
133.06485	7.0
135.04413	7.0
137.02945	4.0
137.04492	2.3
137.05942	2.0
139.02386	6.4
139.03311	2.3
139.03952	2.3
140.98645	2.0
141.03960	2.2
143.00137	4.6
143.01904	82.1
145.01685	4.1
145.03598	18.6
145.04936	7.4
147.01376	5.8
147.04405	92.5
148.03853	21.7
148.04819	3.6
149.02370	2.0
149.05954	2.4
152.98610	2.2
153.03201	12.3
153.05316	1.7
155.01921	11.7
157.03452	44.5
157.04405	2.9
158.03572	3.2
158.99687	12.3
161.02972	77.7
161.05933	18.4
162.03516	2.1
162.99280	3.2
163.02571	4.9
163.03976	7.3
165.05455	20.5
169.03481	7.3
170.99643	5.2
171.01151	2.6
171.04999	2.8
173.02974	17.7
174.03818	2.5
175.01122	2.4
175.02351	3.0
175.03864	55.8
177.00711	7.8
177.05489	7.9
179.02084	2.4
179.07011	12.8
181.03442	16.8
181.05505	5.3
183.01398	6.1
183.05008	1.9
184.04469	2.6
185.02937	5.4
187.02960	2.2
187.04488	5.0
189.00769	2.0
189.04071	5.0
189.05472	83.4
190.05800	4.0
193.03539	3.1
193.05046	19.1
195.05000	6.8
195.06520	2.1
197.02917	2.7
197.06567	2.2
199.02629	2.1
201.00775	4.2
203.02309	1.6
203.03999	42.2
204.04529	3.2
205.05685	100.0
205.55826	3.8
207.05026	9.4
207.06595	75.0
208.06845	5.0
209.03099	2.0
209.06789	1.8
211.02786	2.0
211.06033	8.1
213.06000	2.3
214.06013	13.2
215.01941	5.6
215.03995	4.2
215.05928	1.9
217.03627	6.5
217.05547	2.2
219.01802	26.3
219.05006	4.3
220.01819	1.7
221.03015	5.7
221.05055	15.2
221.06842	1.9
223.04576	9.0
223.06595	70.4
224.06947	2.4
225.07625	52.7
225.56813	3.1
229.03699	3.1
231.03424	9.9
233.02962	28.7
233.05011	2.6
235.04576	11.0
237.02864	28.1
237.06137	7.2
239.04132	3.3
241.07664	11.5
241.15039	1.9
243.01884	4.8
245.02934	3.2
245.05023	2.6
246.08363	1.9
247.04541	15.9
249.04399	2.6
251.03929	9.1
251.06133	30.2
257.02942	62.4
257.05078	2.3
259.04462	6.0
261.06357	2.8
263.06183	7.1
265.05487	9.6
265.07782	62.7
269.02902	5.4
271.04440	2.9
273.04385	12.7
275.03879	24.1
275.06339	3.3
277.05563	16.2
279.05704	5.0
279.09161	2.3
283.06653	5.3
286.07864	2.7
287.03528	3.2
287.06512	8.9
289.05527	19.5
293.04968	7.9
293.07776	3.0
295.07263	28.8
295.08508	37.1
295.58676	4.4
296.07645	1.9
299.03824	2.4
303.07281	2.5
305.05386	3.0
307.06186	12.6
307.08731	26.6
308.08405	5.6
316.08148	8.0
316.58298	2.6
317.05099	5.3
317.08804	19.3
317.59171	4.4
319.06693	3.1
325.10342	11.2
326.09473	10.0
331.06924	5.0
337.07834	1.9
349.07681	26.7
351.09216	9.1
353.09497	6.1
355.12558	2.0
359.06168	6.2
367.11115	44.5
369.10275	5.5
371.11926	4.2
377.07214	15.6
379.08643	13.9
381.09192	16.3
387.11359	4.0
391.08566	4.9
395.08301	22.5
397.09528	7.7
398.11652	11.9
399.11240	15.4
407.12137	32.0
407.62262	4.7
409.10098	79.4
410.10358	4.2
411.11102	6.3
415.10904	15.2
417.12430	11.3
418.09995	2.7
427.05853	1.7
427.10934	42.7
427.61041	7.5
428.11139	2.4
429.12006	7.0
445.12164	10.1
447.13556	22.0
469.11838	6.1
477.63586	1.9
487.13153	9.6
609.18994	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38027	1.0
57.25057	1.0
60.51598	0.9
70.36129	2.1
70.36494	2.3
85.83270	1.0
133.50069	1.0
155.23660	0.9
216.99022	2.2
235.00014	5.0
240.98904	5.3
259.00021	28.1
260.00241	2.8
264.98950	2.6
277.01038	16.0
278.01312	2.1
283.00006	98.9
284.00119	5.9
284.99768	4.5
301.01053	100.0
302.01208	6.6
303.01089	4.3
314.96146	2.0
315.95969	1.5
316.95834	6.1
316.99048	1.2
318.98734	1.9
319.02148	3.0
340.95901	1.8
356.97302	2.7
357.97110	2.0
358.96771	9.8
398.94653	6.3
400.96747	1.3
401.02005	6.0
402.01102	1.4
403.01163	1.4
407.00052	5.6
416.95587	3.1
425.01205	33.5
426.01230	2.7
428.00320	1.1
440.95868	6.0
443.02408	61.9
444.02383	5.6
445.02274	3.0
458.97168	4.0
466.04150	2.6
482.97241	3.2
498.98053	1.6
499.98267	2.1
500.98007	12.2
501.97998	1.3
524.98792	4.5
539.97675	1.8
542.99133	10.3
549.01331	44.8
550.00934	2.1
551.01202	1.2
567.02368	65.1
568.02319	2.3
585.00507	2.7
590.03796	3.1
609.00330	33.3
627.01276	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	608.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01860	7.5
55.05510	20.8
57.03429	6.1
58.42499	1.8
59.04978	2.8
61.09016	1.8
64.57829	1.7
67.05503	22.0
69.03423	5.7
69.07066	21.1
71.04971	4.3
71.56805	3.3
79.05487	26.8
81.03416	11.5
81.07056	23.9
83.01345	4.2
83.04983	10.5
83.08627	13.2
85.02898	3.9
87.14001	2.1
91.05479	17.9
93.07048	25.2
94.36095	2.2
95.04955	8.6
95.08609	10.6
97.02889	8.3
97.06554	5.3
97.10167	10.7
99.04474	4.8
105.07011	13.2
107.04961	8.9
107.08587	14.4
107.15226	1.7
109.06530	6.4
109.10155	8.6
111.08020	2.3
117.07014	10.2
119.01741	2.2
119.08533	12.0
121.06525	2.9
121.10168	9.6
123.08057	7.9
123.11721	2.1
125.09617	5.9
125.26453	2.0
128.48409	2.2
129.07002	4.3
131.08556	7.2
133.10136	6.5
135.07973	2.5
135.11685	9.3
139.07558	2.1
143.08536	3.3
145.10158	13.1
147.07968	4.3
161.09613	2.1
163.11157	15.0
173.09676	3.2
175.11177	2.9
189.11148	3.3
205.12279	2.4
209.11708	5.7
223.13316	12.2
227.12798	5.8
249.14865	2.2
259.59628	1.9
273.18491	10.3
283.12943	1.8
283.15375	73.1
291.19540	100.0
365.23251	39.6
493.28146	3.0
573.34296	53.5
608.35089	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
60.04483	0.8
65.03928	0.9
67.05476	0.8
69.03426	2.0
69.46304	5.8
70.06594	1.4
72.04524	1.5
72.08147	0.7
73.02932	0.9
73.40227	0.8
79.05489	1.2
81.03416	3.4
82.18036	0.8
84.04520	9.9
85.02867	1.8
85.34915	0.7
89.03905	2.1
90.05548	3.0
91.05485	7.6
95.04969	0.8
96.04491	6.0
97.02901	3.6
98.02395	1.6
98.06061	3.5
98.09695	2.0
98.97612	1.4
109.02866	3.1
114.30135	0.7
115.03983	1.1
116.03421	1.6
117.03394	1.6
119.04946	9.7
121.06483	0.9
123.04487	0.8
124.07635	1.2
126.05522	17.7
127.03922	2.1
127.22084	0.8
129.03380	9.4
130.13271	0.8
131.04912	1.8
135.04405	2.2
137.06030	1.4
138.05510	47.5
142.08600	1.7
144.06578	12.0
145.02808	3.4
147.04420	13.6
155.84044	0.8
158.99680	1.2
161.06015	4.4
163.03906	16.5
164.04193	1.3
165.05479	2.4
167.07022	3.4
168.06580	8.9
175.03934	3.1
177.05472	2.1
179.07092	1.3
183.57097	0.8
184.09708	1.7
186.07637	9.3
189.05481	100.0
190.05820	1.1
191.05600	0.8
193.05019	1.0
202.10809	6.1
204.08687	32.0
207.06541	12.0
209.08061	1.7
219.01706	1.0
220.11813	1.5
222.09691	3.3
225.07506	1.6
227.09113	2.0
237.02736	1.4
262.12985	1.1
301.82260	0.8
310.13013	0.9
328.13947	5.5
346.14804	1.3
364.15948	3.7
575.12561	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70290	1.1
113.54507	0.4
141.86897	0.4
388.16791	0.5
389.17603	1.2
401.17813	0.8
402.18472	0.9
403.19250	3.6
404.19968	1.1
405.20776	1.8
415.19409	0.9
416.19998	1.2
417.21231	4.1
418.21793	2.3
419.22440	3.3
429.21359	0.5
430.17932	1.3
431.18124	8.5
431.23615	0.6
432.19550	1.6
432.24283	0.6
433.23935	10.0
434.24863	0.9
440.60782	0.4
443.18484	0.6
445.19894	10.3
446.20816	5.3
447.21454	3.3
459.21509	4.9
460.22589	12.0
461.23325	13.1
473.23523	3.1
474.24423	1.2
477.23318	0.8
487.25009	2.0
488.25455	0.5
489.22919	0.7
492.25323	0.7
505.22614	1.8
515.24640	0.6
517.22552	0.5
519.27197	1.9
532.24841	0.8
533.25385	0.4
547.27063	45.7
548.27417	1.1
575.26495	1.2
579.29449	0.6
607.29150	100.0
608.29492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
57.88518	0.1
71.54804	0.2
72.53455	0.1
77.98963	0.1
84.48260	0.1
141.90588	0.2
146.26758	0.1
179.14223	0.2
199.49329	0.2
202.27672	0.1
209.10890	0.2
213.04179	0.2
221.10811	0.2
223.12389	0.2
233.10751	0.2
235.12300	0.2
298.13330	0.2
300.15030	0.2
324.15152	0.2
328.18274	0.2
387.16031	0.4
388.16919	0.4
389.17542	0.9
390.18759	0.3
391.19635	0.2
392.19965	0.2
401.17661	0.4
402.18555	1.0
403.19305	2.5
404.20120	1.0
405.20831	1.6
406.21371	0.2
415.19235	0.5
416.15387	0.2
416.20398	0.8
417.16724	0.7
417.21344	3.4
418.21881	1.4
419.22324	3.2
421.23962	0.2
429.21088	0.3
430.17807	0.6
430.22147	0.5
431.18149	7.0
432.18661	2.0
432.24210	0.4
433.24072	7.2
434.24768	1.2
443.18372	0.3
444.18658	0.2
444.23883	0.3
445.19849	8.4
446.20688	3.9
447.21674	4.8
448.18906	0.2
449.23758	0.2
458.21094	0.3
459.21524	4.5
460.22528	10.9
461.23343	10.3
462.19632	0.3
473.23648	3.0
474.24234	0.8
475.21707	0.3
477.22839	0.9
487.24924	1.8
488.25754	0.4
489.22842	0.6
491.19699	0.2
491.24820	0.5
492.25244	1.0
503.21060	0.2
505.21667	2.6
506.26913	0.6
515.24500	0.6
517.22906	0.2
518.22888	0.3
519.24249	1.3
519.27063	1.2
520.24615	0.2
531.23804	0.2
532.24457	0.7
533.25500	0.4
546.23053	0.2
547.27051	29.3
548.27386	0.6
563.22961	0.2
575.26294	1.2
578.25317	0.4
579.29468	0.6
589.48346	0.3
607.29114	100.0
608.29510	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.97806	0.2
71.26111	0.3
84.01048	0.2
91.05489	0.3
126.98087	0.2
148.59996	0.2
172.03984	0.2
187.21361	0.2
190.81375	0.2
207.09071	0.2
209.10794	0.5
221.10876	0.2
251.08101	0.2
251.11876	0.2
297.13452	0.2
314.16388	0.2
352.14755	0.2
370.15439	0.2
373.14566	0.3
374.15005	0.2
375.16016	0.6
376.17368	0.3
377.17780	0.2
387.16196	0.3
388.16998	1.1
389.17542	2.1
390.18375	1.0
391.19290	1.0
401.18027	0.7
402.14090	0.4
402.19031	0.9
403.19470	3.9
404.20264	2.0
405.20834	3.4
407.22382	0.3
415.14987	0.3
416.15775	1.0
416.21091	0.3
417.16373	4.4
417.21201	1.4
418.17728	0.8
418.22620	1.0
419.22507	5.2
420.23178	1.0
429.16534	0.3
429.21698	0.2
430.17853	0.6
430.22549	0.3
431.18311	7.0
432.19144	3.2
433.20093	3.3
435.21826	0.5
443.18713	0.4
444.19489	0.5
445.14670	0.2
445.20233	4.5
446.21008	7.0
447.21793	8.1
448.23193	0.4
457.20804	0.2
459.17596	0.9
459.22064	1.2
460.18719	0.7
461.19604	1.6
462.24298	0.6
463.20261	0.4
463.25366	0.7
473.19492	0.8
473.23807	0.6
474.20364	4.8
475.21060	4.6
476.22473	0.2
477.22830	0.7
478.23730	0.7
487.21500	1.4
488.21967	0.5
489.19025	0.2
490.23425	0.6
491.20059	2.9
501.22867	0.9
503.25031	0.3
504.21384	0.3
505.22406	0.7
506.23206	0.6
518.23126	0.3
519.24084	16.2
520.24304	0.3
529.22705	0.5
532.20813	0.3
533.24060	0.2
547.23407	12.9
548.23767	0.3
551.26709	0.5
561.25018	0.3
575.23145	0.3
579.26001	5.8
589.24615	0.2
607.25500	100.0
608.25702	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.148
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31949	1.0
71.32278	0.6
84.14483	0.5
141.57542	0.6
143.01849	0.8
216.94829	0.9
245.05457	0.6
278.57047	0.6
297.83084	0.7
365.59747	0.9
449.04541	0.7
486.99860	0.7
605.14789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05515	2.0
55.82760	0.2
57.03435	0.7
57.07076	2.6
59.05007	0.2
61.02935	0.5
65.00017	0.1
65.03946	0.4
67.05514	0.2
69.03423	1.5
69.41383	1.4
72.83411	0.2
73.02921	2.5
73.06556	0.4
81.03426	0.5
81.07062	0.2
82.23759	0.2
85.02901	2.7
87.04506	0.2
91.03959	0.2
93.03426	0.2
97.02889	2.2
99.04467	0.2
109.02897	0.3
109.06536	0.1
113.87827	0.2
115.03906	0.8
121.02881	1.6
121.03689	0.2
121.03929	0.2
127.03911	0.6
133.04982	0.6
145.04965	0.8
149.02345	100.0
150.02719	0.3
163.03886	0.3
167.03415	0.5
190.04994	0.4
203.07082	0.3
205.08607	25.7
221.08116	1.4
223.09631	0.3
277.14355	17.7
295.15402	2.9
511.71268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.1
55.01881	0.3
55.05263	0.2
55.05512	2.2
55.63778	0.1
57.03439	0.8
57.06792	0.2
57.07073	2.5
61.02919	0.6
63.43791	0.1
65.03916	0.7
67.05500	0.1
69.03422	1.2
70.83591	0.2
71.01350	0.1
73.02919	2.5
73.06546	0.3
79.05462	0.1
81.03436	0.3
81.07030	0.2
85.02430	0.2
85.02908	2.8
87.04427	0.2
93.03390	0.2
97.02895	2.1
99.04504	0.2
107.08645	0.1
107.48534	0.1
109.02871	0.3
109.10168	0.1
110.97661	0.1
111.04477	0.1
115.03934	0.8
115.38573	0.1
116.98663	0.1
117.70973	0.1
119.08566	0.1
121.02872	1.5
121.03975	0.2
121.10167	0.1
127.03922	0.6
133.04953	0.7
145.04973	0.6
149.02339	100.0
150.02701	0.4
163.03932	0.2
167.03447	0.7
190.04968	0.5
203.07010	0.4
205.08598	23.0
221.08119	1.3
223.09610	0.3
277.14340	13.7
278.14874	0.1
280.81628	0.1
285.10129	0.1
295.15430	2.3
395.19696	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	603.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.05515	42.3
57.03428	11.9
57.07081	39.8
67.05186	5.1
67.05508	55.7
69.07067	29.5
69.33942	8.7
69.34360	20.4
71.05000	6.4
71.08633	34.1
74.95472	3.2
79.05150	3.4
79.05511	37.1
81.07059	63.3
83.04986	9.2
83.08624	28.2
85.06539	4.5
85.10172	13.2
91.05487	78.6
93.07047	43.5
95.04963	9.0
95.08618	51.6
95.59454	3.2
97.06549	5.3
97.10165	9.3
97.65756	3.1
99.08088	4.5
103.05448	3.5
105.07041	57.5
107.05011	4.9
107.08594	21.3
109.06538	9.5
109.10149	18.3
115.05451	6.3
116.06221	6.2
117.07024	49.1
119.04984	3.4
119.08600	31.0
121.06559	7.8
121.10155	12.0
123.08065	5.6
123.11729	7.5
125.09658	6.9
128.06219	24.6
129.07018	28.3
130.07796	9.8
131.08575	78.1
133.06485	8.9
133.10138	16.2
135.08104	4.4
135.11714	5.1
141.06963	10.0
142.07838	3.7
143.08568	100.0
145.10132	92.7
147.08104	8.2
147.11690	10.2
149.09792	3.3
149.13429	3.3
155.08565	7.5
157.10146	27.1
159.08047	5.8
159.11729	21.0
161.09627	11.2
167.08585	5.6
169.10167	16.6
171.11745	22.5
173.13266	3.4
175.11166	3.9
180.09290	4.0
181.10138	12.1
183.11720	12.1
185.13312	6.1
195.11754	19.2
199.68712	3.8
201.12794	3.9
209.13252	4.6
213.12654	3.8
217.24014	4.4
223.13420	4.8
227.17966	6.4
231.17319	3.6
237.16438	24.3
239.23743	3.9
241.14360	5.8
242.58859	3.5
255.17542	24.3
273.18549	67.5
277.76126	3.4
277.80319	3.1
285.84848	4.0
291.19604	12.4
293.21130	11.1
311.25714	5.1
313.27371	87.8
329.21146	4.4
347.22110	32.1
491.37366	7.9
505.38510	3.8
585.45135	35.1
603.46344	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01203	1.4
53.03939	7.7
53.92918	1.9
54.41898	1.5
55.01871	10.9
55.05513	35.1
56.96563	1.8
57.03441	8.3
67.05179	2.9
67.05512	36.8
69.03439	5.1
69.07070	11.1
69.17973	5.0
69.18394	12.3
71.01350	2.2
71.04984	4.7
78.37772	1.5
79.05495	45.0
81.02928	2.4
81.03418	46.8
81.07059	41.0
83.04977	14.2
83.08617	20.6
85.02913	26.2
85.06558	3.4
91.05489	42.4
91.05979	1.6
93.07040	24.8
95.04973	43.1
95.08607	18.3
97.02888	6.8
97.06530	5.5
97.10173	20.9
98.21548	2.6
99.04456	2.9
103.05482	5.5
105.07039	27.9
107.04961	13.7
107.08592	17.3
109.02872	13.1
109.06530	7.4
109.10143	10.3
111.04447	9.2
111.08097	5.7
115.05453	9.7
117.07022	16.0
119.04958	5.6
119.08591	19.9
121.02862	6.5
121.06522	11.2
121.10121	8.7
123.04459	4.8
123.08065	4.2
123.11741	3.5
125.06021	2.1
125.09641	11.9
128.06229	5.8
128.81152	1.6
129.07011	15.7
131.04932	14.7
131.08586	15.7
132.05751	1.7
133.06493	12.0
133.10130	9.7
135.04420	5.8
135.08090	7.3
135.11728	4.6
137.02348	5.2
137.05972	2.8
137.09642	3.6
141.07008	6.7
142.07858	1.8
143.08586	6.6
145.06485	18.6
145.10118	9.2
147.04416	7.6
147.08080	8.0
147.11667	7.8
149.06018	6.6
149.09645	6.6
153.07027	4.5
153.09062	2.1
153.12755	3.2
155.08577	4.6
157.06491	10.5
157.10124	7.8
159.08055	10.6
159.11670	2.2
160.05193	3.6
161.05998	17.6
161.09653	4.8
163.03920	2.2
163.11206	11.7
165.07025	3.8
165.12714	2.8
167.08589	6.1
169.06544	4.8
169.10175	3.2
171.04451	2.0
171.08038	9.7
171.11685	2.6
172.08836	2.1
173.05995	23.9
173.09680	4.7
174.06819	6.4
175.03955	5.0
175.07533	7.8
175.11194	6.7
177.05545	2.8
179.08559	2.3
181.06503	3.7
181.10173	2.7
181.12344	2.8
183.08095	5.4
183.11710	3.7
185.06050	5.5
185.09674	4.3
185.13272	1.7
186.06734	2.9
187.07506	13.8
187.11212	2.2
189.05470	26.7
189.07051	2.3
189.09154	4.3
189.11253	9.1
189.12793	2.0
190.06219	2.4
191.10732	3.4
193.12280	17.2
194.07332	1.9
195.08107	4.7
195.11697	3.1
197.06152	1.8
197.09558	3.7
199.07568	5.6
200.08351	1.8
201.05418	1.8
201.09134	2.6
203.07089	2.6
203.10800	2.8
203.14523	1.9
209.09708	2.4
209.13455	2.3
211.07625	4.3
211.11301	3.4
211.13271	23.9
211.15021	2.2
213.12735	2.7
215.07114	4.1
219.11797	1.7
221.09683	2.4
225.09164	2.7
227.10852	1.8
227.12535	8.6
229.12102	1.8
237.13043	2.4
239.10660	2.2
255.13809	9.9
257.15451	6.9
267.16049	7.1
269.15512	3.0
273.14767	19.7
283.13046	10.0
285.14850	11.5
285.17117	13.1
289.14536	3.3
295.16907	2.2
297.14902	2.8
299.16470	5.2
301.14325	72.3
301.17612	3.8
303.16037	4.9
313.14392	3.7
313.18021	4.1
315.15955	7.0
319.15332	10.8
323.16522	5.5
325.14297	2.9
331.15411	2.0
341.17493	15.5
343.15457	17.6
357.17160	3.3
359.18518	4.8
361.16483	3.0
375.18066	17.0
393.19452	3.6
399.17902	2.1
417.19031	5.0
447.25287	3.0
457.23938	1.9
475.25095	5.9
481.25613	2.0
493.26062	9.1
511.26938	14.4
513.28723	2.0
525.28625	4.8
529.28101	4.0
539.30078	4.1
543.29474	28.6
547.28943	2.1
549.28589	4.1
555.29175	4.4
557.31183	2.6
567.29590	26.0
573.30658	18.8
585.30627	89.8
603.31714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.8
61.02906	0.4
67.05516	0.7
69.03435	0.7
69.07059	0.6
71.09744	0.4
71.10081	0.5
73.72704	0.3
75.33540	0.4
81.03398	0.4
81.07070	0.7
85.02888	0.8
93.07041	0.4
95.04996	0.5
95.08592	0.5
97.02896	0.8
97.06502	0.5
98.97607	1.7
99.95872	0.3
106.07379	0.5
109.02980	0.4
110.97530	0.7
120.08107	0.6
128.98557	0.4
135.04462	0.5
136.07587	0.7
145.02878	1.1
147.04417	0.7
163.03876	2.0
164.07100	0.9
177.05505	1.5
185.04277	1.4
189.05505	1.4
219.01836	1.6
237.00754	0.4
237.02931	1.6
265.11075	0.6
267.12704	0.5
267.95935	0.4
285.13843	1.2
287.05719	0.6
291.12714	0.5
300.82706	0.4
309.09515	0.4
309.13840	1.6
351.09647	0.8
363.09128	1.2
365.10599	0.6
411.16904	1.6
425.12137	0.6
429.17957	0.6
440.14392	1.3
441.15137	2.0
543.21191	8.0
603.20520	100.0
603.28992	4.8
604.20905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3167
Annotation	trapoxin A
Peak:m/z	Relative Intensity
51.02377	1.3
53.03947	7.0
55.01878	10.2
55.05512	24.6
57.03434	9.1
57.07084	1.7
59.05001	1.5
67.05506	32.4
68.99777	1.5
69.03425	8.2
69.07071	10.1
69.41776	1.2
71.05009	5.7
73.02909	1.0
79.05496	39.0
81.03421	62.2
81.07056	34.3
83.04987	14.9
83.08624	20.0
85.02912	23.9
85.06544	1.9
91.05484	43.5
93.03403	2.0
93.07042	22.0
95.01324	1.8
95.04370	2.3
95.04975	46.9
95.08612	14.0
97.02882	7.8
97.06543	6.3
97.10172	13.0
98.20784	2.1
99.04455	1.6
99.08095	1.4
103.05473	5.5
105.03380	1.8
105.07034	30.0
107.04964	14.9
107.08593	13.2
109.02892	18.0
109.06512	7.6
109.10136	5.7
111.04440	10.6
111.08102	7.4
113.06004	2.2
115.05444	8.6
117.07024	14.5
119.04944	7.3
119.08584	20.3
121.02887	5.6
121.06516	12.9
121.10166	10.8
123.04433	4.9
123.08076	5.0
123.11740	2.1
125.02350	1.4
125.09642	10.2
127.03941	2.2
128.06236	5.6
129.07004	16.6
130.07796	1.9
130.14966	1.1
130.53821	1.0
131.04916	12.2
131.08560	18.0
133.06470	14.3
133.10127	9.2
135.04434	3.1
135.08061	6.4
135.11676	5.6
137.02364	4.8
137.06003	2.9
137.09648	2.5
141.06932	5.2
142.07823	3.4
143.05025	1.4
143.08542	7.3
145.02809	1.4
145.06503	15.3
145.10112	10.0
147.04428	10.1
147.08035	8.4
147.11711	10.6
149.05980	6.4
149.09648	7.6
151.03918	1.9
153.06963	2.8
153.12749	3.1
155.08591	6.9
157.06480	8.1
157.10121	13.1
158.07236	1.5
159.04552	1.4
159.08067	5.4
159.11754	1.3
160.05244	4.7
161.05991	20.0
161.09615	5.5
163.07472	1.8
163.11182	10.9
165.05614	1.3
165.07039	1.8
165.12764	2.0
167.08603	3.9
169.06516	3.1
169.10118	2.5
171.04425	2.4
171.08080	8.7
171.10294	1.8
171.11705	2.6
172.08813	1.5
173.05995	22.3
173.09647	4.8
174.06746	7.5
175.03955	3.1
175.07549	5.2
175.11180	9.1
177.12714	2.0
179.08592	2.6
181.06499	1.5
181.10310	1.5
181.12294	3.7
183.08118	4.1
183.11671	2.2
185.05989	4.1
185.09703	2.9
185.13303	1.8
186.06818	2.5
187.07544	11.8
187.11250	2.4
189.05467	27.3
189.09160	2.1
189.11255	3.2
189.12770	1.4
191.07056	1.9
191.10681	4.5
193.10416	2.2
193.12244	26.4
195.08064	2.2
195.11763	1.6
196.08894	1.4
197.09677	2.8
199.07574	4.8
199.11229	1.5
200.08348	1.9
201.09126	3.0
201.12903	1.6
203.07056	3.1
203.10689	1.7
205.12366	1.4
209.09608	1.3
209.13380	1.3
211.07637	2.8
211.11311	1.6
211.13286	28.2
213.12796	1.7
221.09602	1.2
227.10825	1.5
227.12645	6.1
229.12349	1.5
231.13892	2.0
237.12642	2.2
239.10762	2.0
239.14316	2.0
241.12309	2.1
243.13882	1.8
245.15363	2.6
249.14861	1.7
255.13760	8.9
257.15402	4.6
259.13315	2.1
265.12238	1.9
267.15897	10.6
271.13419	3.8
271.16956	1.2
273.14868	22.8
277.14301	1.3
283.13046	10.1
283.15952	1.4
285.14795	9.3
285.17502	15.6
289.14380	6.9
291.16071	2.2
292.85458	1.1
301.14325	77.5
303.15958	5.7
311.16235	1.2
313.14368	1.6
313.18042	1.5
315.15991	1.5
319.15427	13.9
323.16522	3.7
325.14111	1.5
329.17648	1.9
331.15555	1.8
339.15881	2.4
341.17569	4.9
345.16998	2.0
357.17038	5.7
359.18445	2.2
375.18005	20.3
385.23721	1.9
393.19031	6.9
447.25735	1.8
459.27457	5.1
465.26700	2.8
475.24988	2.7
477.28671	4.1
483.27863	1.7
493.25665	5.7
511.27182	5.6
521.28583	1.9
523.34778	1.1
529.27960	1.8
539.30078	3.7
543.29279	1.4
549.28674	2.8
555.29736	4.4
557.31110	2.5
567.29376	12.7
573.30511	22.8
585.30603	84.4
586.31537	1.4
603.31708	100.0
631.43353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
53.72153	2.1
55.01859	3.6
55.05510	21.1
57.03424	6.9
57.07078	15.7
67.05505	29.8
69.03429	4.7
69.07062	24.6
70.13893	7.0
71.08609	5.8
78.37666	2.6
79.05479	18.3
81.03414	63.8
81.07048	33.4
83.04964	4.0
83.08614	34.0
85.06520	4.2
85.10184	4.7
91.05474	22.0
92.05804	2.5
93.07038	21.7
95.04969	17.8
95.08617	26.1
97.02863	3.1
97.06501	3.0
97.10146	11.5
105.07030	19.4
106.07330	4.5
107.04944	7.0
107.08585	16.9
109.06499	6.6
109.10144	14.2
111.08079	5.4
117.06977	3.7
119.08572	28.0
120.08895	6.1
121.10149	19.8
122.10509	2.9
123.08067	7.2
123.11691	5.0
125.09603	2.7
129.06961	7.8
131.08551	14.7
133.06476	2.9
133.10107	13.1
135.08041	4.0
135.11684	7.9
137.09598	3.5
143.08522	5.4
145.06604	2.9
145.10092	10.9
146.10492	3.7
147.08015	8.2
147.11652	11.4
149.09612	10.1
149.13257	5.3
157.10127	14.4
159.11679	7.2
160.39606	2.9
161.13347	2.8
163.11198	5.2
165.09132	16.3
165.12805	3.3
166.09460	6.3
170.10429	2.6
171.11615	3.0
173.13280	4.1
175.11127	6.7
175.14755	2.8
181.12279	3.9
183.11543	3.0
193.12222	17.7
194.10925	2.7
197.13115	3.1
203.14410	3.1
204.14662	4.4
220.77304	2.7
221.15388	28.4
222.15639	14.3
267.15912	100.0
313.27286	5.9
339.28949	85.2
353.24362	4.6
457.36963	3.3
492.35236	2.9
510.36670	2.8
522.36310	4.7
531.40387	70.7
549.41034	12.1
584.41534	6.6
602.33691	4.2
602.43549	15.2
602.51563	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49402	1.5
53.03939	7.3
55.01864	3.4
55.05504	22.7
55.18489	1.9
57.03436	2.5
57.07067	13.2
57.26198	2.0
59.04994	3.4
65.03931	6.3
66.99129	2.0
67.05502	30.5
69.03416	11.9
69.07063	27.5
69.27933	12.8
70.29225	1.8
71.04985	3.6
71.08636	3.0
77.03896	2.9
78.04663	2.1
79.05492	37.6
81.03417	7.3
81.07053	45.2
83.04985	20.5
83.08607	15.0
85.06531	6.6
87.04456	3.9
89.06030	8.1
91.05476	60.3
92.06333	2.0
93.07037	75.8
95.04956	17.5
95.08609	42.7
97.06521	15.2
97.10155	2.0
98.29498	2.3
103.05470	6.3
105.04501	2.2
105.07026	100.0
106.07289	2.8
107.04942	3.5
107.08593	71.2
108.08883	3.2
109.06529	21.3
109.09470	3.0
109.10161	35.2
111.08075	4.9
111.11729	2.6
113.09653	6.2
115.05460	5.7
116.06234	3.4
117.07006	22.9
119.06133	2.1
119.08579	95.6
120.08875	3.3
121.06506	10.5
121.10139	83.3
122.10471	2.8
123.08065	12.5
123.11683	14.3
125.05980	2.0
125.09629	13.1
128.06209	14.5
129.07011	17.4
129.47752	2.1
130.07779	8.5
131.08560	45.2
133.06497	3.7
133.08568	5.5
133.10118	59.0
135.08047	15.6
135.11674	21.7
137.09622	7.3
139.11211	5.7
141.06981	11.1
142.07779	20.2
143.08551	40.3
144.09349	10.5
145.06442	2.3
145.10120	72.4
146.10641	2.6
147.08043	11.5
147.11674	25.0
149.09621	25.5
149.13268	4.9
151.07542	6.4
151.11200	2.8
153.06952	5.1
154.07794	4.0
155.08583	16.2
155.10669	8.4
156.09358	21.3
157.10123	54.9
158.10892	10.2
159.08075	14.9
159.11694	39.1
161.06094	2.1
161.09618	16.5
161.13260	7.2
163.11160	9.8
165.07001	7.7
165.09129	8.4
166.07796	4.7
167.08603	10.0
167.10664	59.8
167.14317	2.4
168.09412	9.1
168.10756	2.4
169.10141	26.8
170.10944	9.5
171.11691	35.7
172.12093	2.1
173.09613	8.2
173.13251	22.7
175.11186	11.5
175.14799	15.7
177.09076	3.1
177.11287	2.4
177.12761	4.3
178.07762	3.2
179.08554	9.7
180.09306	5.8
181.10138	16.2
181.12209	6.4
182.10936	10.7
183.08067	2.9
183.11691	27.7
184.12363	4.4
185.09651	6.1
185.13269	17.9
187.11159	7.6
187.14783	11.7
189.11041	1.8
189.12680	9.7
191.14287	8.2
192.09328	3.8
193.10167	14.4
193.11794	1.8
193.15878	3.2
194.10774	10.0
195.11707	23.2
196.12444	9.3
197.13249	19.5
198.13841	2.7
199.11133	7.1
199.14827	11.4
201.12779	5.5
201.16339	9.3
203.14330	8.7
205.10083	4.8
206.10931	6.2
207.11693	14.5
207.13644	3.2
208.12349	9.6
209.13254	23.8
209.15123	4.0
210.13896	4.6
211.11227	2.8
211.14813	17.8
212.11949	2.5
213.12769	6.3
213.16347	5.1
215.14258	9.3
217.15948	4.7
219.11661	5.0
219.17432	2.6
220.12415	5.5
221.13220	11.8
221.15378	24.4
222.13815	3.5
223.14757	17.9
224.15404	3.1
225.12878	3.1
225.16365	9.8
227.14279	5.6
227.17863	2.8
231.11658	4.2
233.13226	7.1
233.15375	32.0
234.16093	4.4
235.14845	10.3
237.12692	3.8
237.16359	9.4
239.17903	4.3
241.15707	2.7
243.11615	2.2
245.13145	3.7
246.13710	2.6
247.14793	8.4
247.17065	2.5
248.15373	2.7
249.16415	5.8
250.17020	3.0
251.17955	7.7
255.17526	6.1
256.17780	3.8
257.19122	3.3
259.14816	5.0
261.16412	5.7
263.17972	5.4
265.19476	6.5
267.17444	2.5
269.19073	10.3
273.16095	2.7
273.18668	4.6
275.17920	6.5
277.19424	3.0
279.21118	2.0
281.18967	5.8
283.20532	5.8
285.18634	5.2
287.20236	2.9
289.19299	3.4
299.20047	5.1
301.21725	4.7
303.21097	2.9
339.28931	3.1
343.24347	2.8
361.25433	2.8
367.26312	4.3
491.35175	4.6
565.40344	5.1
583.41302	14.4
601.35107	5.8
601.41864	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	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.05503	6.6
57.07069	8.7
59.05000	3.6
67.05511	13.5
69.03425	5.7
69.07062	7.2
69.46732	1.8
71.55769	2.4
73.78535	1.7
79.05498	12.4
81.07060	21.8
83.04978	5.1
83.08622	4.4
85.06535	3.2
85.97910	1.9
89.06028	2.1
91.05492	20.2
93.07046	31.0
93.07597	1.3
95.04980	6.6
95.08620	19.1
97.06514	4.1
103.05500	2.4
105.07039	37.4
107.08595	23.2
109.06561	5.0
109.10175	9.8
111.08083	2.2
115.05439	2.9
117.07030	10.9
119.07723	2.0
119.08576	39.1
121.06498	5.0
121.10141	21.4
123.08089	11.1
123.11699	3.6
125.05950	1.8
128.06259	5.0
129.06999	8.1
130.07848	2.4
131.08580	16.0
133.06519	2.6
133.10141	23.5
135.08054	10.7
135.11681	5.6
137.09590	15.4
141.07019	3.2
142.07770	7.1
143.08607	12.3
144.09305	2.8
145.10141	28.4
147.08046	21.0
147.11658	7.7
148.08774	2.0
149.09624	4.7
151.07574	11.4
151.11206	2.7
155.08522	5.9
156.09357	4.0
157.10156	18.5
158.10672	1.9
159.08029	3.3
159.11703	16.3
161.09666	5.4
161.13266	5.5
163.11180	7.9
165.09117	39.8
167.08571	3.7
168.09236	3.5
169.10176	9.8
170.10857	2.3
171.11684	9.6
172.12247	2.6
173.09659	3.2
173.13280	8.2
175.11194	5.5
175.14848	3.9
177.12813	1.9
179.08539	2.6
181.10165	4.8
181.12227	5.6
182.10901	2.7
183.11682	7.3
184.12405	1.8
185.13264	8.0
187.14810	3.6
189.12718	4.4
191.14288	3.2
193.10204	3.2
194.10971	3.2
195.11729	5.1
196.12311	2.6
197.13281	7.4
199.11215	2.5
203.14362	16.4
207.11766	4.3
207.13814	4.6
208.12463	2.3
209.13235	7.1
209.15096	2.0
211.14799	5.3
221.13448	4.1
221.15372	100.0
222.15750	3.2
223.14833	3.8
233.13271	2.5
237.16275	2.0
245.13141	1.7
251.18193	2.4
253.15756	1.9
271.16901	4.4
280.81961	1.8
286.19202	2.8
287.19974	3.2
299.20209	2.3
302.13321	2.1
313.27390	2.3
325.21341	2.5
352.23972	5.6
353.24301	6.5
357.25473	2.1
455.31348	2.9
491.35147	8.8
509.36014	5.9
521.36127	15.2
558.68079	2.0
583.41815	9.6
601.35474	4.5
601.42798	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	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.4
53.03938	8.0
55.05510	24.9
57.07069	8.5
59.04989	2.6
65.03937	7.2
67.05504	30.3
69.03424	16.3
69.07070	23.2
69.25129	12.7
69.25544	5.4
71.04983	3.9
72.64622	2.1
77.03937	3.2
79.05495	35.1
81.07059	38.7
83.04984	17.5
83.08627	16.3
85.06538	8.5
87.04459	3.5
89.94578	1.9
91.05481	58.8
92.05788	3.8
93.07047	70.0
94.20126	2.2
95.04979	23.9
95.08060	3.8
95.08610	40.3
97.06530	14.5
99.09808	1.9
103.05466	6.1
105.07033	100.0
107.04954	3.2
107.07880	4.8
107.08598	83.4
108.08989	3.1
109.06546	14.7
109.10172	34.3
111.08080	5.9
111.11729	3.3
113.09641	4.4
115.05434	8.3
116.06270	2.9
117.07015	21.2
119.04926	2.3
119.08584	94.8
120.08975	2.8
121.06504	9.7
121.10146	90.7
123.08069	12.8
123.11720	11.1
123.29371	2.2
124.08414	2.6
125.06064	2.7
125.09640	15.6
128.06239	15.0
129.07013	22.6
130.07780	9.6
131.08580	43.3
133.06477	4.0
133.07672	2.1
133.10139	56.2
133.11691	2.3
135.08044	15.9
135.11690	23.7
137.09622	7.6
137.13202	2.1
139.11185	4.9
141.06973	9.9
142.07777	24.9
143.08574	44.5
144.09381	10.8
145.06505	3.6
145.10138	68.9
145.95746	2.1
146.07117	2.2
146.10507	3.1
147.08060	9.7
147.11678	31.4
149.09618	19.7
149.13290	3.3
151.07562	4.7
151.11157	4.1
153.07100	2.8
154.07780	4.0
155.08565	19.0
155.10652	5.9
156.09366	18.5
157.10141	64.7
158.10794	8.4
159.08096	17.0
159.11700	40.6
160.12143	2.6
161.09628	12.6
161.13248	7.9
163.11168	11.3
165.06993	5.7
165.09114	7.7
165.12779	2.1
165.43787	2.4
166.07693	4.1
167.08621	10.8
167.10683	68.6
168.09303	5.1
169.10094	28.8
170.10866	9.5
171.11728	32.5
172.12125	2.7
173.09656	7.8
173.13258	26.4
175.11201	9.6
175.14810	17.3
177.12764	3.2
179.08594	14.8
180.09293	6.3
181.10063	12.8
181.12242	8.1
182.10905	12.5
183.11711	23.1
184.12427	5.9
185.09581	2.7
185.13295	18.2
187.11166	7.2
187.14854	13.1
189.12711	7.2
189.16418	2.4
191.14272	4.8
192.09286	5.8
193.10172	13.2
194.10909	10.2
195.11647	21.4
196.12404	7.0
197.13269	26.3
198.13896	3.1
199.11038	3.8
199.14876	17.9
201.12737	7.4
201.16399	5.8
203.14258	6.0
206.10950	4.6
207.11740	17.2
208.12469	8.3
209.13255	26.8
210.13942	7.0
211.11177	4.1
211.14854	13.3
212.15378	2.9
213.12703	3.6
213.16373	5.3
215.14296	8.5
217.10104	3.7
217.15999	6.1
219.11708	4.4
219.17270	2.8
220.12421	3.1
221.13264	13.0
221.15396	22.4
222.13905	4.8
223.14787	14.3
224.15381	2.5
225.12740	2.8
225.16364	11.9
227.14326	3.9
229.15944	3.9
231.11621	6.7
231.13768	2.8
233.13266	6.2
233.15364	32.6
234.13953	3.3
235.14812	8.8
236.15146	3.1
237.16342	8.6
239.17984	5.2
241.15923	2.8
245.13168	5.1
246.14069	5.9
247.14836	8.0
247.17094	2.5
248.15494	3.3
249.16446	5.2
251.17787	6.4
253.15840	2.5
255.17517	6.3
256.17892	3.1
257.13358	3.0
257.18945	2.6
259.14517	4.4
260.15222	2.9
261.16367	6.4
263.17877	6.2
265.19562	4.8
267.17422	3.2
269.18991	8.9
273.16241	2.9
275.17819	5.1
277.19449	3.7
281.18954	5.6
283.20557	8.3
285.18686	4.9
287.20206	4.2
289.19168	3.3
295.20694	5.6
299.20013	5.5
300.20786	2.2
301.21686	4.4
307.20425	2.2
309.22128	2.2
315.21173	2.2
335.23566	2.4
349.25455	2.8
361.25119	2.6
367.26474	4.6
523.43805	2.4
547.39648	2.9
565.40234	4.8
583.41699	12.3
601.42639	14.1
616.81708	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01864	1.6
55.05504	6.1
57.07070	9.2
59.04994	4.3
65.03938	1.4
67.05502	12.9
69.03423	7.9
69.07071	5.6
70.66797	1.1
70.67139	2.6
71.01331	1.1
71.21321	0.8
77.03898	1.2
78.16389	0.9
79.05499	13.2
81.07053	21.3
83.04983	4.5
83.08620	2.6
85.06534	4.9
89.06029	1.2
91.05482	25.6
93.07042	37.6
95.04966	6.8
95.08611	23.0
96.08948	1.5
97.06521	3.8
103.05480	1.1
105.04518	1.1
105.07029	35.8
106.07362	2.6
107.08597	22.1
108.08887	1.3
109.06519	9.7
109.10172	9.0
111.08075	3.1
117.07030	10.6
119.08577	44.1
120.08944	3.6
121.06487	5.1
121.10150	21.5
121.11018	0.9
123.08076	15.2
123.11712	2.1
124.08388	1.1
125.05979	7.4
126.06336	1.0
127.40099	0.9
128.06242	4.0
129.07019	6.4
130.07791	3.5
131.08568	16.8
132.09071	2.0
133.06456	2.3
133.10135	21.9
133.11119	1.9
134.10461	1.1
135.08070	12.5
135.11697	6.0
136.60965	0.8
137.05991	1.5
137.09630	13.4
139.07558	2.0
141.07008	2.4
142.07791	6.9
143.08551	14.8
144.09402	4.9
145.10126	31.1
146.10559	2.3
147.08038	21.9
147.11696	7.1
148.08453	1.5
149.09630	6.2
149.13306	2.1
151.07558	11.1
153.07057	1.4
153.09047	1.7
154.07820	1.6
155.08539	7.3
156.09360	5.7
156.10452	1.0
157.10121	22.2
158.10724	3.9
159.08067	4.4
159.11694	17.8
160.12169	2.8
161.09592	6.5
161.13266	6.9
162.10123	2.0
162.38223	1.0
163.11160	9.8
164.11560	1.2
165.07024	2.4
165.09114	50.8
166.07997	0.9
166.09506	3.0
167.08545	2.1
168.09358	2.4
169.10129	10.5
170.10866	3.2
171.08078	1.3
171.11694	13.0
172.08934	0.9
172.12250	2.3
173.09642	3.3
173.13277	6.4
174.13725	1.3
175.11201	7.1
175.14879	4.3
176.11594	2.4
177.09143	1.4
179.08507	1.8
179.10796	1.1
180.09335	2.1
181.10158	6.6
181.12219	10.8
182.10864	3.5
182.12505	1.2
183.11671	8.1
184.12173	2.5
185.09659	2.8
185.13280	8.8
187.11206	3.2
187.14813	5.0
189.12735	4.5
190.13519	2.3
191.10672	1.6
192.09349	1.3
193.10202	4.0
193.12306	2.7
194.10968	2.0
194.12524	1.3
195.11726	4.9
195.13713	1.3
196.12436	1.7
197.09641	1.3
197.13290	8.2
199.11174	2.8
199.14891	2.3
201.12740	4.2
203.14313	18.3
204.14609	1.4
207.11670	3.6
207.13864	7.4
208.12482	2.7
208.14435	2.2
209.13313	8.2
209.15327	2.6
210.13770	1.2
211.11183	2.4
211.14761	5.7
212.15575	1.1
213.12738	2.9
213.16388	2.3
215.14365	1.4
219.13826	3.3
221.13303	4.4
221.15358	100.0
222.13853	2.3
222.15732	10.4
223.14810	3.9
224.15385	1.1
225.12759	2.3
225.16379	1.6
227.14296	1.4
229.12338	1.2
233.13266	1.5
233.15361	1.9
234.13950	1.6
234.15967	4.5
235.14703	2.2
235.16823	2.4
237.16391	2.1
239.14348	1.5
239.17754	1.7
241.15935	1.4
245.13231	1.5
245.15552	1.3
246.13731	1.4
247.14722	1.5
247.16939	7.8
248.17397	4.2
249.16420	2.4
251.14270	1.5
251.17917	1.1
253.15863	1.6
259.17166	1.8
263.18005	1.5
265.15945	1.1
265.19519	1.6
266.19940	1.3
269.15405	1.2
271.16980	1.5
274.19266	3.0
275.19830	1.1
277.19586	1.4
281.19128	1.4
283.20721	2.2
286.19318	3.2
287.20245	6.3
288.20544	1.9
297.22314	1.2
299.20154	5.0
300.20605	5.4
301.21640	4.3
307.20355	1.1
311.20041	2.2
312.20889	2.7
313.21521	3.2
325.21689	3.8
326.22235	3.7
327.23346	1.1
340.23746	3.6
341.24374	3.4
352.23972	5.0
353.24597	4.7
365.24731	1.6
366.25204	1.8
367.26178	7.3
375.26929	3.0
379.26089	1.2
380.27191	1.0
388.25638	1.2
393.27814	2.5
419.29785	1.1
420.29868	2.7
426.27557	2.0
427.28290	2.1
428.28854	2.8
440.29355	5.0
441.29617	11.1
491.35132	10.3
508.36224	1.0
509.36142	3.1
520.35529	2.6
521.36053	14.9
565.40570	1.7
583.41443	11.2
601.42413	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.05511	3.5
57.07064	5.5
59.04984	2.7
67.05502	11.1
69.03426	7.1
69.07069	5.9
69.70258	6.7
71.08649	1.4
79.05499	11.3
81.06642	2.0
81.07056	15.6
83.04971	2.1
83.08613	1.9
85.06544	2.7
91.05471	21.5
92.05820	1.4
93.07040	28.9
94.07372	2.2
95.04974	6.8
95.08604	17.5
96.08867	1.8
97.06528	2.5
98.21481	2.4
103.05471	1.2
105.06326	1.7
105.07020	31.3
105.07688	2.2
106.07362	1.7
107.04949	2.3
107.08590	17.8
108.08879	1.4
109.06538	7.7
109.10153	6.9
111.08071	1.4
117.07005	7.9
119.08575	37.1
120.08920	3.4
121.06509	3.3
121.10136	16.4
123.08045	11.4
124.08385	1.5
125.05975	5.3
128.06227	4.2
129.06992	5.7
130.07767	3.4
131.08580	15.3
133.08600	1.6
133.10124	19.2
134.58549	1.1
135.08075	11.2
135.11685	4.6
137.09605	11.6
139.07483	1.6
141.07033	3.2
142.07745	6.2
143.08559	11.6
144.09303	4.5
145.10121	27.1
146.10417	1.5
147.08046	19.3
147.11716	6.4
149.09599	5.9
151.07533	10.8
155.08603	4.1
156.09357	4.3
157.10121	18.0
158.10704	4.1
159.08066	3.3
159.11705	16.3
160.12140	2.0
161.09584	4.6
161.13272	5.3
162.10173	1.2
163.11142	8.2
164.11484	1.5
165.07039	2.0
165.09108	39.5
166.09428	4.1
167.08551	2.3
168.09415	1.8
169.10117	8.1
170.10835	3.7
171.11694	9.3
172.12236	2.2
173.09633	2.2
173.13245	4.8
175.11203	4.1
175.14816	4.2
176.11618	1.4
177.12671	1.8
179.08540	3.0
179.10696	1.6
180.09380	2.2
180.11415	1.4
181.10173	3.5
181.12244	10.5
182.10878	3.0
182.12457	1.3
183.11691	7.5
184.12244	1.6
185.13245	6.3
187.11156	2.7
187.14844	4.1
189.12738	5.1
191.10606	1.7
191.14073	2.0
193.10162	2.3
193.12138	3.0
194.10866	1.8
194.12634	1.7
195.11780	6.7
195.13411	1.3
197.13243	7.2
199.11234	2.8
199.14778	2.4
203.14284	12.2
204.14684	3.2
207.11674	3.5
207.13829	5.5
208.12523	1.4
208.14441	2.4
209.13235	4.9
209.15231	2.6
210.13864	2.2
211.14844	3.8
213.12679	2.0
213.16293	2.0
216.14969	1.4
221.13385	4.0
221.15344	100.0
222.15717	11.9
225.12762	2.0
225.16345	2.1
227.14380	1.6
233.13261	1.6
234.16136	3.5
235.16707	2.9
237.16489	1.7
239.18024	1.7
247.14763	1.3
247.16876	5.7
248.17325	4.6
253.15849	1.4
265.15863	1.5
274.19214	2.7
283.20724	2.2
283.26492	1.6
286.19125	2.4
287.20142	6.1
288.20416	1.7
298.19028	1.4
299.20093	5.2
300.20691	4.8
301.21643	2.7
311.20044	3.1
312.20889	2.6
313.21475	3.7
325.21683	2.9
326.22180	2.7
335.22546	1.1
339.23285	1.4
340.23471	1.2
341.24442	3.3
352.23947	4.5
353.24274	8.0
365.24728	2.4
367.26233	5.7
375.26926	3.1
393.27795	2.7
410.00305	1.4
420.29617	2.2
427.28683	2.1
428.28845	3.1
440.29184	4.2
441.29666	10.3
455.31409	1.5
491.35040	8.8
509.36044	6.6
521.35791	12.9
583.41418	14.2
601.32574	2.1
601.42285	42.9
601.56696	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.0
53.03945	2.1
55.01867	1.5
55.05515	7.8
57.03440	0.9
57.07071	9.2
59.04986	2.9
65.03934	2.2
67.05504	15.4
69.03429	9.2
69.07071	8.8
70.02273	4.0
71.04991	2.3
71.08633	1.3
77.03933	1.0
78.19838	1.0
79.05488	13.4
81.07053	21.0
82.07395	1.1
83.04977	3.4
83.08609	4.9
85.06540	5.0
87.04467	1.6
89.06000	2.3
91.05481	24.3
93.07042	37.3
93.07639	1.8
95.04958	7.7
95.08600	23.1
96.08926	1.3
97.06545	5.7
97.10178	1.6
103.05471	2.2
105.07030	42.4
106.07310	1.4
107.04973	1.4
107.08598	26.3
107.09309	2.1
108.08919	1.2
109.06522	9.3
109.10164	14.4
111.08081	3.0
113.05996	0.9
113.09650	1.4
114.12885	0.9
115.05470	2.5
116.06242	1.1
117.07025	13.0
119.08581	46.3
120.08928	3.0
121.06511	5.9
121.10146	22.8
122.10466	1.1
123.08069	17.8
123.11728	2.8
124.08442	1.0
125.06019	3.8
125.09612	2.1
128.06233	5.1
129.07024	8.8
130.07790	4.0
131.08560	19.1
132.09404	1.2
133.06485	2.1
133.08615	1.6
133.10135	25.5
133.11101	1.7
134.10506	1.7
135.08052	10.6
135.11685	9.6
137.09621	12.8
139.07536	1.0
139.11168	2.1
141.07018	2.7
142.07811	8.8
143.08559	19.0
144.09410	4.8
145.06454	2.9
145.10123	32.5
146.10513	1.9
147.08040	19.7
147.11690	9.4
148.08568	1.4
149.09627	6.1
149.13283	2.1
151.07538	10.1
151.11179	1.9
153.06920	1.2
153.09087	2.0
155.08566	7.3
155.10689	3.2
156.09325	8.5
157.10126	24.8
158.10793	3.8
159.08081	3.5
159.11684	20.8
160.08830	6.1
160.12048	1.5
161.09662	4.8
161.13252	6.5
163.11188	9.0
165.06934	2.4
165.09111	37.4
166.07906	1.5
166.09416	2.1
167.08609	3.4
167.10658	1.1
168.09315	3.0
169.10103	10.9
170.10880	4.1
171.08139	0.9
171.11694	12.4
172.08792	1.1
172.12267	2.9
173.09657	2.9
173.13281	8.3
174.10284	1.4
175.11169	5.5
175.14803	5.0
177.12782	1.3
179.08586	3.5
179.10738	1.6
179.14316	0.9
180.09222	1.5
181.10156	6.7
181.12186	8.0
182.10861	4.4
182.12479	0.9
183.11696	9.5
184.12389	0.9
185.09622	1.2
185.13278	11.1
186.10153	0.9
187.11131	1.8
187.14847	3.2
189.12769	4.4
190.13480	1.2
191.10620	0.9
191.14246	3.0
193.10159	3.9
193.12082	1.8
194.10905	3.0
195.11682	8.4
195.13326	1.2
196.12370	3.3
197.13268	10.5
198.13785	1.9
199.11192	2.6
199.14848	3.9
201.12781	3.2
201.16521	1.4
203.14301	15.3
204.14668	1.3
205.15886	1.4
206.10898	1.4
207.11722	5.0
207.13846	8.4
208.12411	1.6
209.13280	7.6
209.15240	2.6
210.13824	2.0
211.14780	5.2
213.12787	1.5
213.16414	2.6
215.14345	3.4
218.42998	0.9
219.11774	1.2
219.13824	1.8
220.12422	1.7
221.13318	5.5
221.15349	100.0
222.13887	1.7
222.15732	6.1
223.14697	4.6
225.12650	1.1
225.16463	3.2
227.14314	2.8
227.18094	1.4
229.15976	1.3
233.13280	2.5
234.13995	1.8
234.16223	2.3
235.14836	2.7
235.16840	2.1
236.15506	0.9
237.12527	1.5
237.16476	3.8
239.18005	2.0
241.15948	1.5
246.77330	0.9
247.14735	1.8
247.16859	5.4
248.17610	1.0
249.16290	1.9
251.18199	1.4
253.16061	1.0
253.19542	1.0
261.18655	1.4
265.19568	1.4
269.19037	1.2
271.17035	1.3
273.18686	1.4
274.19159	1.3
275.17636	1.0
275.20300	1.2
281.18872	1.0
283.20694	1.8
286.19275	3.0
287.19989	6.4
291.21268	1.3
295.20709	1.1
297.22235	1.1
298.19247	1.0
299.20313	4.4
300.20505	3.1
301.21655	2.7
311.20172	1.5
312.20749	1.8
313.21475	3.4
325.21637	2.2
326.22107	2.1
338.22198	1.7
340.23743	1.1
341.24396	1.5
349.25552	1.1
352.23914	5.7
353.24432	4.8
365.24664	2.4
367.26358	3.3
375.26733	2.0
377.24887	1.3
378.25293	1.4
393.27768	2.1
407.29846	0.9
421.30844	1.5
427.28384	1.8
428.28888	1.2
440.29477	3.0
441.29568	5.9
491.35184	8.9
503.35278	1.3
509.36020	4.2
520.35425	1.1
521.35913	11.7
542.47675	1.1
565.40625	1.8
566.40900	1.1
583.41541	11.6
601.42438	37.9
601.51276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10627	3.1
55.05512	18.2
56.05848	3.2
57.03426	5.2
57.07083	16.8
57.07314	2.6
59.05006	3.5
61.08574	3.3
67.05504	26.5
69.03413	14.3
69.07065	18.7
70.03416	2.8
71.05001	6.3
71.08611	4.7
71.40399	5.3
79.05486	22.8
81.03378	3.1
81.07053	38.9
83.04970	12.0
83.08618	16.2
85.06532	6.1
87.04456	3.2
89.06023	19.3
91.05484	29.9
93.07034	51.3
94.07352	5.2
95.04971	13.4
95.08601	37.5
97.06522	20.0
97.07069	3.1
97.10130	4.0
103.05476	5.6
105.07029	56.6
107.04928	4.8
107.08591	39.0
109.06512	9.5
109.10157	20.2
111.08094	8.1
112.57749	3.4
113.09612	6.6
117.07017	14.8
119.08582	63.7
120.08891	6.6
121.06518	12.8
121.10147	37.0
123.08065	19.7
123.11647	4.9
125.06003	3.6
125.09596	7.5
128.06192	8.3
129.07021	13.3
130.07784	5.9
131.08574	36.5
133.06476	4.5
133.08617	9.2
133.10126	30.6
135.08047	21.1
135.11694	13.0
137.05975	3.6
137.09650	16.3
137.10513	3.4
139.11147	8.9
141.07002	7.9
142.07755	8.8
143.08585	27.7
144.09302	6.5
145.06477	14.6
145.10123	50.5
146.10492	6.2
147.08041	26.9
147.11707	9.7
149.09621	9.6
151.07559	9.1
151.11093	4.3
153.06976	3.5
153.12689	4.3
155.08530	12.8
155.10638	8.8
156.09294	9.3
157.10141	32.4
158.10730	7.0
159.07985	15.0
159.11681	33.9
160.08839	61.8
161.09572	12.5
161.13231	5.3
163.11171	18.3
165.09093	35.5
166.09441	9.1
167.08459	5.2
168.09229	4.6
169.10101	19.5
170.10722	4.7
171.08034	5.9
171.11674	21.3
172.12267	6.4
173.09630	9.2
173.13248	11.6
175.11171	13.5
177.09100	4.5
177.11264	4.4
179.08633	7.2
179.10628	3.0
179.14394	4.8
180.09183	6.1
180.11375	4.2
181.10127	9.1
181.12228	27.7
182.10844	3.9
183.11635	17.7
184.12370	4.7
185.09622	5.1
185.13271	12.1
186.13789	4.9
187.11218	10.4
187.14743	4.7
189.12770	5.4
190.13501	4.0
191.10748	4.8
191.14386	3.4
193.10223	6.3
193.12238	7.9
194.10808	6.6
195.11659	12.9
195.13605	3.8
196.12396	8.8
197.13286	11.4
198.13759	3.6
199.11180	5.2
199.14772	5.0
201.12790	5.4
203.14270	17.2
207.11716	5.8
207.13765	8.6
208.12283	4.7
208.14496	7.2
209.13223	13.3
210.13971	4.0
211.14857	9.3
213.12688	5.7
215.14395	5.8
219.11722	4.5
221.13243	8.3
221.15344	100.0
222.15665	26.4
223.14822	7.5
225.16420	3.8
227.14368	4.0
229.15898	4.1
233.15334	6.4
234.16116	17.7
235.14708	4.6
237.12718	5.5
241.15834	3.7
246.16229	5.3
247.14697	4.9
247.16882	18.8
253.15926	5.4
258.19421	3.3
259.16931	6.9
271.16949	3.7
273.18506	5.0
274.19339	4.5
281.19067	3.4
283.26263	5.4
286.19168	23.0
287.20047	13.4
299.20056	19.7
300.20560	10.5
301.16370	5.1
311.20023	10.5
312.20776	9.5
313.21643	7.3
325.21570	13.0
337.21701	6.4
339.23056	5.1
339.28940	11.1
340.23953	4.4
352.24008	35.4
365.24710	11.2
374.24432	5.2
391.26248	5.9
415.25357	6.8
425.27048	3.5
440.29126	31.1
490.34274	4.5
508.35046	6.4
520.35486	34.1
547.40155	5.9
565.40735	7.6
582.40033	10.7
600.41595	57.3
600.55029	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.9
57.07084	11.5
59.05005	4.4
67.05500	17.5
69.03420	10.3
69.07072	7.0
69.88239	2.2
79.05485	17.3
81.03441	3.1
81.07051	22.6
83.04975	6.1
83.08642	3.8
83.21870	1.9
85.06537	6.7
89.06046	4.0
90.37370	2.5
91.05486	28.7
92.06252	3.3
93.07037	33.6
95.04967	8.6
95.08598	22.3
97.06534	8.5
103.05479	2.2
105.07034	48.6
106.07855	3.0
107.08594	31.0
109.06511	12.5
109.10163	9.7
111.08112	2.7
114.47079	1.9
115.05466	2.3
117.07008	14.9
119.08588	62.8
121.06485	7.9
121.10163	21.9
123.08057	19.0
123.11714	2.7
125.05982	10.7
128.06192	4.1
129.06996	11.6
130.07787	4.3
131.08566	22.3
132.09357	4.7
133.06508	5.0
133.08600	3.1
133.10121	25.6
135.08072	19.8
135.11700	8.3
137.09660	10.1
139.07513	3.7
141.07025	4.3
142.07765	11.0
143.08548	22.4
144.09348	8.0
145.06470	4.3
145.10132	40.2
146.10872	3.1
147.08022	29.2
147.11685	9.2
148.08635	2.4
149.09633	9.4
151.07564	7.2
151.11127	2.4
155.08568	10.6
155.10654	2.7
156.09335	7.1
157.10126	31.4
158.10933	4.3
159.08028	8.0
159.11703	26.9
161.09627	10.2
161.13278	6.1
163.11183	21.0
165.09119	53.7
166.09482	3.7
167.08531	4.9
168.09377	2.9
169.10106	14.1
170.10954	5.1
171.11679	16.9
172.12405	3.7
173.09616	7.6
173.13283	5.7
175.11165	20.9
177.09097	3.7
177.12828	4.2
178.09891	2.9
179.08640	2.8
180.09291	2.3
181.10123	6.6
181.12274	15.4
182.10881	4.2
183.11757	13.3
184.12346	2.7
185.09627	3.2
185.13234	10.7
186.13835	2.3
187.11203	7.5
188.11900	3.1
189.12755	8.7
190.13530	9.2
191.10693	5.5
193.10310	4.6
193.12251	10.5
194.10919	5.5
195.11699	12.3
195.13593	3.4
196.12494	5.8
197.13217	13.0
198.10320	2.9
199.11124	6.2
199.14844	3.7
201.12761	5.4
203.14369	19.3
207.11821	4.5
207.13821	9.8
208.12752	2.8
208.14607	7.9
209.13264	9.6
210.13939	3.0
211.11240	2.6
211.14825	9.7
213.12706	5.4
213.16367	3.6
219.13788	8.9
221.13390	5.8
221.15338	100.0
222.15732	9.7
223.14835	5.5
225.12773	4.2
225.16319	2.4
227.14445	3.2
228.14963	2.5
229.15865	3.3
231.13763	3.4
233.15509	4.8
234.16063	20.6
235.14758	3.0
237.12697	5.3
237.16290	2.7
239.18089	3.0
241.15977	2.6
245.13318	2.8
247.14751	4.2
247.16945	27.5
248.17574	4.9
251.14244	2.6
253.15839	4.1
259.16968	3.9
265.16006	2.9
271.16855	4.2
274.19287	16.2
281.19110	4.8
283.26379	3.2
285.10776	2.6
286.19254	5.4
287.20062	9.6
291.10876	2.4
297.18497	4.3
299.20023	14.4
300.20694	3.3
307.20529	3.2
311.19675	2.5
312.20886	6.0
313.21420	6.4
325.21600	18.7
326.22186	2.6
327.22986	3.0
337.21667	5.9
339.23080	5.3
340.24023	14.3
352.24008	39.8
365.24832	8.6
366.25647	5.2
377.24768	4.5
379.26187	3.9
387.25174	4.5
391.26102	4.4
398.72952	2.2
413.26807	6.9
419.29489	9.2
420.30103	4.8
425.26852	7.7
426.27481	3.5
427.28452	17.1
440.29279	45.4
442.30597	4.0
454.30920	4.1
461.14731	2.2
507.34628	5.6
508.35190	5.3
520.35474	52.4
521.35986	3.7
585.39288	4.7
600.41425	47.1
600.55811	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08550	2.0
51.96415	2.6
53.03942	4.2
55.01884	2.4
55.05509	9.5
57.07069	11.9
58.06609	2.7
59.05004	7.0
67.05508	12.1
68.90872	2.5
69.03416	8.4
69.07067	9.8
71.08614	2.6
71.55566	3.1
79.05483	19.4
81.07059	27.7
83.04984	9.8
83.08617	4.8
85.06540	6.7
89.06048	7.0
91.05485	27.7
93.07048	33.6
95.04971	10.3
95.08614	24.4
97.06526	4.7
97.10152	2.5
100.71736	2.0
105.07033	58.0
105.07700	4.3
107.04973	3.9
107.08602	28.7
107.47788	2.3
109.06517	13.1
109.10168	8.9
111.08092	3.2
115.05579	2.3
117.07019	19.8
119.08582	65.7
119.09380	4.6
120.09383	3.0
121.06522	8.8
121.10162	29.7
123.08093	16.6
123.11655	2.8
125.05980	15.0
128.06218	5.4
129.07004	10.9
130.07784	3.9
131.08571	27.1
133.06508	3.9
133.08598	5.0
133.10133	27.9
134.10873	4.3
135.08049	14.2
135.11696	10.4
137.05936	3.0
137.09647	11.7
141.07001	4.7
142.07774	10.1
143.08574	26.5
144.09384	3.1
145.10138	44.1
147.08054	25.8
147.11685	9.8
148.08759	2.2
149.09599	11.0
151.07527	11.3
151.11134	2.7
151.37660	2.1
153.09117	2.7
155.08540	11.7
156.09343	10.5
157.10141	37.5
158.10818	3.9
159.08115	7.7
159.11705	28.5
160.08759	3.3
161.09622	11.4
161.13281	5.2
163.11168	19.2
165.07050	4.7
165.09128	43.6
167.08562	5.0
169.10085	16.3
170.10889	5.1
171.11682	18.1
172.08786	2.7
172.12387	4.2
173.09615	6.8
173.13293	9.7
175.11185	19.5
175.14865	5.5
177.09068	3.7
177.12781	2.8
178.09933	4.3
179.08507	3.1
180.11443	3.3
181.10126	5.9
181.12244	15.0
182.10931	4.4
183.11670	12.6
184.12354	5.1
185.09669	6.2
185.13206	12.2
186.10356	2.9
187.11165	6.7
187.14839	5.8
189.12766	6.2
190.13548	7.6
191.10727	7.0
191.14200	2.5
193.10312	4.6
193.12234	16.6
194.10826	3.0
195.11732	8.4
195.13759	4.5
196.12459	5.3
197.09642	4.3
197.13245	12.5
198.13850	3.0
199.11240	7.1
201.12816	7.0
203.14320	21.1
207.11729	7.0
207.13823	9.8
208.12466	4.4
208.14592	7.4
209.13365	11.4
211.11189	3.6
211.14828	9.6
212.15575	3.2
213.12787	3.3
216.15060	3.1
219.13812	5.9
220.12459	2.9
221.13374	6.3
221.15363	100.0
222.15840	6.6
223.14871	5.7
225.12762	3.8
227.14339	4.5
230.11130	2.7
233.15355	5.6
234.16101	18.9
235.14841	5.3
237.12726	5.2
239.14378	4.1
241.15901	3.3
246.13852	2.4
247.14778	3.6
247.16992	26.1
248.17749	4.2
259.17017	5.6
260.15424	3.1
261.18787	3.2
265.19244	3.8
271.17035	2.9
273.18384	2.9
274.19363	15.6
281.19144	3.3
285.18552	3.2
286.19159	3.8
287.20114	10.5
297.18741	3.1
299.20062	19.5
300.20767	2.5
307.20370	2.8
310.19113	3.3
311.20148	5.9
312.20944	11.9
313.21558	10.0
319.20639	2.5
325.21585	18.5
337.21756	4.5
339.23114	7.5
339.29080	3.2
340.24142	14.2
352.24008	28.7
365.24670	5.8
377.25214	3.2
379.26428	3.8
387.25082	4.1
391.26300	3.5
392.26773	3.5
413.26703	7.2
415.25458	2.9
419.29358	11.6
420.30310	4.8
425.26968	7.5
426.27524	4.3
427.28375	15.0
440.29233	54.0
508.35083	5.2
510.36810	2.6
520.35522	38.6
532.09680	2.6
585.39355	3.9
600.41449	35.5
610.76788	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	600.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
61.02917	1.2
65.57715	0.6
67.05491	1.0
67.64449	0.5
69.03419	1.2
70.06590	0.7
71.55806	0.6
73.02917	0.9
74.30051	0.5
79.05503	0.9
81.03416	4.1
81.07056	0.8
83.08611	0.9
85.02915	2.5
91.03945	0.7
91.05472	1.7
95.04989	1.6
97.02880	1.7
98.97578	0.6
104.25982	0.5
105.07009	1.5
107.04958	1.2
111.89754	0.5
115.05464	0.7
117.07008	0.9
119.08551	0.6
127.03895	0.7
128.06232	1.2
129.06992	4.5
131.08580	5.3
133.06474	1.0
133.10138	0.5
136.06187	45.7
141.06998	1.4
143.08562	0.7
143.10709	0.5
144.05727	1.6
145.06505	1.7
146.07310	0.5
152.05998	0.5
156.05681	0.6
157.06483	2.1
157.10065	0.6
159.08075	8.1
161.06015	0.8
161.09607	2.3
163.03929	0.6
167.07007	0.7
169.06380	1.0
169.07693	0.9
170.07263	1.7
171.08037	2.2
173.06004	1.4
175.03880	0.7
175.07492	0.9
177.05533	0.6
187.07562	7.3
189.05516	0.9
189.09087	2.8
190.06339	0.7
193.08466	0.6
193.12230	3.0
199.07568	0.8
203.06996	1.2
204.07869	3.7
205.08618	1.0
216.07846	1.1
219.10149	1.8
221.11696	1.5
231.10097	2.8
233.11693	1.4
234.08855	0.8
249.11229	100.0
251.12750	3.3
267.12277	5.7
267.15579	1.0
285.17007	1.9
319.56079	0.5
350.00891	0.5
420.22180	1.6
438.23499	2.2
582.27576	3.5
600.29279	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	600.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07975	0.4
61.12863	0.4
61.73537	0.4
68.89012	0.4
69.03416	0.7
69.78741	0.4
69.97320	1.4
69.97723	0.9
70.06574	0.5
85.02924	1.4
91.05475	1.5
97.02858	0.5
98.20811	1.0
105.07015	0.7
115.05435	1.0
117.07024	1.1
128.06215	1.8
129.06995	4.4
131.08557	5.7
133.06479	1.0
133.10104	0.7
141.07021	1.5
142.07770	0.8
143.08571	1.0
144.05707	2.3
145.06451	1.2
146.07233	0.8
147.04405	0.7
153.07050	0.6
157.06485	2.6
159.08058	10.7
161.05917	0.9
161.09621	2.3
163.03929	0.7
167.07036	1.1
169.07637	1.1
170.07231	1.5
171.08040	2.0
172.05267	0.7
173.05960	1.4
173.09801	0.7
174.06766	0.9
175.07509	1.2
187.07550	8.0
188.08350	0.6
189.05437	1.0
189.09103	3.7
193.08591	0.7
198.06673	0.7
199.07527	1.4
201.05511	0.8
203.06989	1.4
204.07837	4.6
207.10263	0.7
210.15004	0.6
216.07826	1.4
218.09355	0.6
219.10150	1.8
221.11696	2.1
231.10133	3.4
233.11789	0.8
237.11104	0.7
249.11218	100.0
251.12810	1.7
267.12418	2.5
364.20694	0.6
479.39471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4097
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
50.67826	2.1
53.03948	5.3
55.05513	12.1
57.07074	9.7
58.66287	2.0
59.05006	2.8
61.83865	1.7
65.03954	2.2
67.05507	18.0
69.03419	9.4
69.07069	18.0
69.22910	18.4
72.21118	1.9
79.05499	21.4
79.05849	1.9
81.07072	21.2
83.05009	5.5
83.08649	7.8
84.04523	2.9
85.06538	3.7
91.05487	26.7
93.07051	46.5
93.07648	3.1
95.04991	8.6
95.08609	24.2
97.06549	7.2
102.97561	2.2
105.07040	42.2
105.07703	3.4
107.08599	29.4
107.09290	2.0
109.06550	7.4
109.10154	15.4
111.08122	2.5
115.05474	2.6
117.07068	6.3
119.06269	2.4
119.08587	38.2
119.39664	2.1
121.06556	6.6
121.10149	58.0
123.08084	16.8
123.11755	5.1
123.57552	2.1
125.09659	4.5
128.06267	5.4
129.06995	4.7
130.07826	4.1
131.08572	17.9
133.06549	4.3
133.10146	30.3
135.08063	10.4
135.11757	8.9
137.09660	6.8
139.11240	4.5
141.07022	4.7
142.07828	10.1
143.08566	13.7
144.09369	2.6
145.10129	25.1
147.08087	10.9
147.11720	12.4
149.09633	17.4
149.13348	3.9
151.07544	15.9
153.09163	2.4
155.08635	5.6
156.09358	4.8
157.10168	22.6
159.08087	10.2
159.11710	15.8
161.09613	9.2
161.13326	7.4
163.11264	7.0
165.07074	3.7
165.09161	15.3
167.08549	6.7
167.10683	84.1
168.09373	3.5
169.10168	13.3
169.11594	1.7
170.11058	4.2
171.11702	14.7
173.09697	5.7
173.13292	13.4
175.11230	3.4
175.14896	7.5
179.08688	4.5
181.10127	4.1
181.12335	5.6
182.10957	5.0
183.11682	11.4
185.09731	2.2
185.13356	8.8
187.11250	6.0
187.14870	6.0
189.12836	6.6
191.14394	4.9
193.10217	2.9
194.11057	3.4
195.11661	13.2
196.12497	3.1
197.13263	11.5
199.11166	2.8
199.14836	4.3
201.12842	4.2
201.16449	3.0
203.14371	7.7
205.15868	4.3
206.11142	2.4
207.11809	6.3
207.13919	5.5
209.13359	12.3
209.15297	4.3
210.14268	2.6
211.14926	5.0
213.12856	2.0
215.14461	4.6
219.11760	3.2
220.12656	2.5
221.13306	7.9
221.15489	26.7
223.11308	3.4
223.14931	7.4
223.17088	2.0
225.12801	3.6
225.16533	4.6
231.11815	3.1
232.12598	3.0
233.13258	5.2
233.15323	27.4
235.14928	5.9
237.12801	2.8
245.13457	2.6
247.14981	3.9
249.16592	5.6
251.18034	2.3
257.19110	2.5
259.14890	2.9
263.18170	3.6
273.16101	2.5
273.18680	4.3
275.18243	3.1
283.20752	3.0
286.19376	2.2
287.20377	2.7
299.20258	5.7
301.19885	3.1
305.19165	2.1
311.20224	3.3
359.23877	2.3
365.25110	3.3
377.24777	3.2
391.26624	5.5
393.24323	2.8
431.29581	3.4
507.34497	3.4
561.29169	2.4
563.39038	3.1
571.42041	3.7
581.40021	28.7
599.41260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.9
55.05511	46.8
57.03441	20.3
59.04984	4.9
61.02947	3.1
65.03948	2.4
67.05505	100.0
67.77715	2.7
69.03420	6.9
69.07067	14.3
70.20319	10.8
71.01337	4.1
71.04980	5.1
73.02911	6.9
79.05490	29.0
79.89701	3.0
81.03412	11.0
81.07069	29.7
83.04982	13.3
83.08615	24.9
85.02911	30.0
85.06545	5.0
87.04470	9.0
87.69129	2.7
91.05470	13.7
93.07058	17.3
93.07558	3.3
95.04977	6.2
95.08588	13.8
97.02875	8.9
97.06528	7.7
97.10175	34.1
103.03939	13.4
105.07048	8.1
107.04961	6.1
107.08583	20.8
109.10148	89.2
111.04433	3.0
111.08076	6.0
117.07034	4.2
119.08617	12.8
121.10138	4.7
123.08092	3.2
125.09639	42.1
127.03906	5.2
131.08617	4.6
135.11688	10.0
137.09593	3.9
143.10701	10.7
145.10161	7.2
153.12741	12.4
155.10612	14.4
159.06525	3.3
163.11159	15.3
173.11739	40.5
181.12216	11.9
189.11220	6.1
191.10649	7.7
199.13301	11.2
206.24809	2.6
209.11786	16.8
217.14352	8.7
227.12837	18.4
229.07607	5.4
229.14342	96.7
229.16592	6.1
257.13782	20.7
283.15311	22.7
283.71930	2.7
283.91083	2.7
301.16470	52.7
319.17499	17.0
328.13400	5.2
353.37933	3.2
378.80713	2.7
391.19986	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	599.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34348	0.2
55.05503	0.5
57.03430	0.2
59.05002	0.6
65.86382	0.2
67.05507	2.2
69.03413	0.3
69.07065	0.4
71.04990	1.3
71.55088	0.5
79.05504	1.5
81.03417	1.1
81.07066	1.9
83.04964	0.4
83.08622	0.5
85.02914	0.6
85.06550	0.3
87.04437	0.5
91.05480	1.8
93.07039	1.8
95.04969	1.1
95.08614	1.1
97.06522	0.7
105.07035	1.8
107.08616	1.0
109.06531	0.4
109.10204	0.3
111.08094	0.4
119.08569	1.2
121.10130	1.4
123.08118	0.4
129.07033	0.6
131.08580	1.1
133.10143	1.1
135.11758	0.3
140.45270	0.2
147.11700	1.1
149.09592	1.3
157.10178	0.7
175.11223	0.8
189.05508	0.3
193.12263	1.1
198.04880	0.2
211.13266	0.3
225.14841	0.5
229.14265	0.3
233.11549	0.9
259.85342	0.3
265.14294	0.3
267.15869	1.2
268.66736	0.2
283.15167	15.7
295.50412	0.3
339.17795	9.4
495.25549	0.4
507.64664	0.3
545.43402	0.3
599.34021	100.0
600.34210	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01856	8.5
55.05510	47.8
56.96563	3.5
57.03432	15.6
59.04993	6.0
61.02919	3.6
67.05506	96.4
69.03420	6.0
69.07069	14.1
69.79005	15.4
71.04980	2.8
79.05491	19.2
81.03415	16.0
81.07052	33.1
83.04964	12.1
83.08620	21.3
85.02902	26.1
85.06538	4.6
87.04456	9.6
91.03973	2.5
91.05491	14.9
91.05954	2.4
93.07050	16.5
95.04982	7.4
95.08617	15.7
97.02876	12.0
97.06537	8.2
97.10168	35.2
98.20789	4.9
103.03933	9.7
105.07046	8.3
107.04942	8.8
107.08580	25.1
107.79853	2.8
109.10153	80.7
111.04443	6.4
111.08052	8.0
113.05977	2.8
117.07018	6.5
119.08566	10.0
121.10125	8.6
123.08055	3.3
125.09629	45.8
131.08556	3.8
133.10115	3.0
135.11682	8.8
137.09599	3.9
143.10669	11.0
145.10107	9.9
147.11644	4.5
153.12735	8.3
155.10696	13.8
159.56633	2.8
163.11188	16.9
173.11745	35.9
181.12271	9.4
191.10670	8.7
199.13310	16.1
201.28310	2.5
209.11714	17.6
217.14313	5.8
227.12842	16.3
229.14343	100.0
245.13803	5.6
257.13821	55.2
283.15463	19.6
301.16440	57.0
319.17554	7.6
333.14572	2.8
446.25064	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	598.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92498	0.7
53.03938	0.8
55.01863	1.5
56.26266	0.8
61.02930	1.8
69.03428	3.0
69.29089	7.3
70.06573	1.2
71.04985	0.8
77.75854	0.9
79.05498	3.9
81.03422	13.5
81.07049	2.1
85.02898	13.0
91.05478	2.9
95.04972	1.9
97.02885	5.6
97.06549	0.8
98.21512	1.9
103.05471	2.7
103.13194	0.9
104.88954	0.7
105.07014	2.2
107.04958	8.1
107.08624	0.8
109.02852	0.9
115.05453	5.5
117.07005	13.1
119.08540	1.5
123.04417	3.4
124.05297	1.2
127.03911	1.8
128.06233	1.2
129.07010	2.8
131.04922	3.0
131.08557	2.8
133.06468	1.7
135.11711	0.9
137.05988	1.2
140.04643	0.9
141.06952	1.1
143.04919	1.0
144.05681	2.4
145.02809	1.5
145.05006	2.9
145.06485	33.3
147.04399	1.9
147.08023	1.6
151.03893	0.9
153.05441	1.2
154.73708	0.8
155.06004	5.3
156.05675	8.3
157.06496	2.5
159.08044	6.1
161.05988	3.6
162.07645	1.3
163.03914	2.0
163.06128	1.1
167.07042	49.4
173.05983	54.9
175.03906	1.1
175.07513	1.9
177.05496	2.9
179.45293	0.8
180.08665	5.3
183.06534	1.3
184.05191	1.6
187.07518	5.9
190.06242	31.9
191.07031	2.3
193.08566	1.2
195.06525	0.8
202.06253	4.2
203.06993	6.1
205.08600	100.0
207.10269	1.0
217.08592	42.3
219.08243	1.3
219.10086	4.7
221.19020	0.9
223.09682	2.1
231.08020	1.0
235.09644	32.8
238.77789	0.8
247.07509	1.0
247.09720	7.0
248.08308	1.0
257.61578	0.9
262.76138	0.8
263.10770	1.4
265.10709	39.5
269.08051	0.9
271.09573	2.2
275.54169	0.9
277.08765	1.1
279.10181	1.5
308.10190	1.2
315.08682	4.6
323.12744	2.7
330.11050	6.2
331.11734	3.1
336.09540	1.1
337.10648	1.1
339.12402	1.7
351.12250	3.3
371.14859	2.7
378.29108	0.9
383.14877	12.8
401.15945	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	596.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77293	0.5
55.05510	0.7
56.60946	0.5
57.07067	0.5
58.06603	100.0
59.06104	0.7
67.05503	2.2
69.28713	0.6
70.06602	0.7
71.55611	0.6
71.55987	0.5
79.05502	1.0
81.07074	1.7
91.05442	0.8
93.07067	1.5
95.08604	0.9
105.07092	0.5
107.08605	0.7
109.10134	0.6
135.11699	1.0
166.69177	0.6
267.88306	0.6
283.15128	1.6
284.15549	1.0
296.09381	0.5
311.29294	0.6
339.18057	0.8
339.29263	0.9
340.18146	1.1
373.60355	0.5
596.41846	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.2
57.07082	13.0
59.05003	9.3
67.05502	12.8
67.74020	2.1
69.03428	2.9
69.07061	5.8
70.60800	5.0
71.08617	2.6
79.05516	8.6
81.03399	4.2
81.07045	11.1
83.04984	16.6
83.08613	2.7
85.06531	18.6
91.05482	13.2
93.07048	13.5
95.04964	8.1
95.08599	13.6
97.06509	9.7
105.07040	11.4
107.04944	1.9
107.08592	17.3
109.10135	7.2
117.06997	4.2
119.08566	17.4
121.06490	1.9
121.10156	12.5
123.08058	2.9
123.11700	4.1
125.05992	34.6
125.09608	13.0
130.07777	2.2
131.08553	9.8
133.10126	13.2
135.08047	3.0
135.11723	11.1
135.12582	1.6
143.08557	6.0
145.10129	20.7
147.08018	2.9
147.11678	4.6
151.07538	3.1
151.11139	3.5
155.08536	3.2
156.09306	2.0
157.10120	8.1
159.11703	8.1
161.09668	3.0
161.13211	2.2
163.11183	40.1
165.09151	2.2
165.12787	1.7
168.09225	1.9
169.10106	4.7
171.11638	3.4
173.13275	5.8
175.11252	2.3
175.14824	6.3
181.12239	94.2
183.11699	5.1
185.13257	3.2
187.14845	3.3
192.40881	1.8
195.09985	2.9
195.11632	2.4
195.61464	1.7
197.13284	3.3
199.11209	2.1
199.14754	2.0
201.16432	3.5
205.16020	1.6
207.11760	3.9
207.13774	4.0
209.13200	2.3
221.13332	3.9
221.15352	4.7
223.14948	2.1
233.13315	2.5
235.14883	2.7
241.19504	3.5
267.16116	2.0
267.21103	2.0
271.20285	1.8
299.19833	2.0
301.21658	3.5
389.24722	2.7
507.36581	100.0
521.84961	1.9
525.37482	2.3
565.40094	10.0
579.38861	2.1
597.37762	23.0
597.42542	33.2
597.57568	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	596.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.1
55.01862	6.5
55.05507	21.6
56.96566	7.3
57.03439	16.0
67.05507	57.1
69.07059	18.3
69.20483	43.1
71.08644	26.6
79.05501	61.3
81.03428	43.0
81.07060	67.9
83.04971	16.5
83.08617	18.7
84.96048	6.3
85.02911	25.3
91.05480	48.6
91.26530	4.3
93.07050	68.7
95.04989	24.3
95.08621	41.5
97.06532	11.6
98.97573	6.7
99.08099	14.2
105.07041	41.6
107.04945	15.1
107.08616	35.3
109.06538	6.9
109.10165	9.4
111.08096	5.9
113.05966	5.3
119.08600	28.5
121.10141	32.5
129.07037	10.5
131.08591	12.2
133.10168	24.4
135.11739	29.2
145.10129	6.7
147.11707	20.9
151.11188	18.4
157.10150	7.8
161.01163	5.1
161.13275	10.5
163.11266	6.1
175.11227	14.0
179.14320	100.0
189.12712	7.2
193.12206	29.6
211.13330	39.4
229.76302	5.2
267.15915	35.9
277.21646	54.6
282.97995	5.5
285.16965	95.6
295.22504	4.8
337.18921	4.8
351.25244	34.3
470.56885	5.1
543.36938	57.4
561.37921	86.8
596.24695	38.8
596.38599	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.2
57.03420	0.9
57.07080	2.7
67.05508	2.4
69.07060	1.2
70.00976	0.7
70.01361	0.8
71.05010	0.4
71.08619	1.5
79.05489	2.0
81.03412	0.4
81.07051	2.4
83.08591	0.8
85.10178	0.9
89.06030	0.6
90.19114	0.3
91.05460	1.4
93.07038	2.4
95.08592	2.5
97.10168	0.6
98.21424	0.4
105.07057	0.7
107.08591	1.3
109.10175	0.9
119.08607	0.7
121.10146	1.5
123.11661	0.4
128.96745	0.3
131.08559	0.4
133.10126	0.7
135.11682	0.5
147.11696	0.6
149.09618	0.4
149.13199	0.5
233.11490	0.7
261.22128	0.5
283.15179	10.3
295.37360	0.3
313.27399	1.7
339.17847	5.9
354.67599	0.3
421.84033	0.3
595.41724	100.0
596.41895	1.5
617.19751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49909	1.4
53.03950	3.5
54.41072	1.5
55.01873	10.1
55.05513	52.1
57.03437	19.6
57.07069	1.8
59.04997	5.5
61.02927	5.3
64.55583	1.3
65.03938	1.9
67.05505	100.0
69.03418	6.4
69.07073	14.8
70.11318	5.0
70.11719	2.6
71.01353	3.6
71.05001	7.2
73.02899	3.6
74.68969	1.3
75.04498	2.0
79.05498	28.7
81.03431	17.8
81.07055	38.9
83.01382	1.7
83.04971	12.6
83.08620	20.9
85.02905	26.9
85.06570	3.1
87.04475	7.3
91.03926	2.4
91.05474	13.7
93.07038	18.3
95.04955	8.4
95.08604	17.3
97.02900	10.8
97.06548	7.3
97.10172	33.9
99.04485	1.4
99.08101	2.9
103.03955	10.0
105.07033	4.9
107.04962	8.8
107.08598	18.9
109.10159	73.4
111.04454	4.6
111.08080	5.0
117.07069	3.4
119.08562	10.5
120.08134	2.4
121.06534	2.9
121.10153	6.6
123.08101	3.4
125.09646	38.4
125.10574	2.9
127.03912	2.9
129.05452	1.4
129.07051	3.3
131.08563	5.4
133.10144	4.3
135.08072	2.9
135.11717	8.5
137.09642	4.2
143.10652	8.8
145.10156	6.5
147.11635	2.5
149.09616	1.9
152.45549	1.5
153.12769	10.1
155.10634	9.5
163.11200	14.5
173.09604	2.2
173.10165	2.5
173.11739	37.1
181.12175	7.2
189.11208	3.0
191.10663	8.2
193.12219	4.5
199.13319	14.0
199.15060	2.2
209.11714	19.9
211.13422	1.8
217.14359	3.6
227.12775	17.3
229.14359	73.2
245.13850	3.0
257.13840	59.5
261.22159	3.7
263.59851	1.6
267.09320	2.0
267.15961	2.3
283.15433	16.0
288.05911	2.2
289.78036	1.6
301.16467	47.2
319.17459	7.2
353.26825	4.0
392.91666	1.7
399.23392	3.2
531.67725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.8
55.05503	18.6
56.96561	4.0
57.03437	5.8
57.07066	13.7
63.67185	4.0
67.05505	24.4
69.03415	11.6
69.07066	62.4
69.18354	18.2
69.18781	17.6
71.04989	13.2
71.08626	6.1
71.61532	3.2
76.02319	2.9
79.05486	25.5
81.03403	15.1
81.07057	70.3
83.04992	5.6
83.08621	26.5
85.02903	34.3
85.06552	8.0
87.00828	7.9
89.03931	7.0
91.05477	14.4
93.07052	22.8
95.04959	12.8
95.08611	76.3
97.02895	13.2
97.05930	4.0
97.06532	57.1
97.10175	20.3
99.04475	5.7
99.08105	5.3
105.01871	14.1
105.07031	11.6
107.04942	5.6
107.08595	28.7
109.02912	4.9
109.06525	3.3
109.10157	57.0
111.04449	6.7
111.08077	6.9
111.11733	18.5
117.03357	5.7
119.04928	3.7
119.08552	6.3
121.02893	3.4
121.10148	13.8
123.11708	29.9
125.13247	13.0
127.03902	17.3
131.04915	4.0
131.08578	7.5
133.10144	9.0
135.04379	12.0
135.11702	11.8
137.13237	15.2
145.02824	12.2
145.04926	6.6
145.10138	6.9
147.04391	8.3
147.11705	5.4
149.13289	29.2
151.14839	10.4
153.01793	3.3
153.05582	3.5
157.10062	5.2
161.02350	5.5
163.03912	51.2
163.14803	11.4
165.16429	9.3
167.07021	8.2
167.14301	9.6
173.02286	8.9
177.05479	4.2
179.17946	6.0
181.04909	4.8
187.14714	4.0
189.05452	10.2
189.09103	3.9
193.19519	6.4
215.07088	17.7
217.04962	6.3
219.21019	3.5
241.08589	26.5
249.25758	6.4
259.09662	59.7
260.09943	3.8
275.27344	15.0
287.05521	100.0
293.28397	55.7
311.29471	10.7
329.13809	4.2
341.88052	3.6
355.15479	3.6
403.11832	9.8
438.76489	3.3
595.45343	5.2
596.17596	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
54.61379	0.2
57.03433	2.0
61.02922	0.5
68.99808	0.4
69.03429	1.0
69.42957	0.4
69.43356	0.9
71.04994	8.6
75.04462	0.3
81.03413	0.5
83.04962	0.5
85.02904	11.9
90.67357	0.2
91.03945	0.2
95.23884	0.2
97.02908	1.1
98.20666	0.3
107.04956	0.4
109.02850	0.4
111.00792	0.4
111.04440	0.4
121.02881	1.5
127.03903	0.8
129.05479	3.0
133.02856	0.3
137.02313	0.4
145.04970	0.8
147.04326	0.2
147.06509	0.8
151.52885	0.2
153.01833	1.8
157.06461	0.3
160.75168	0.2
161.06018	0.3
165.01820	1.2
183.02940	0.6
185.05945	0.2
213.05479	0.8
231.06519	0.5
241.04860	0.6
258.05280	0.6
259.06015	0.3
287.05496	100.0
288.05722	0.6
358.64020	0.2
449.10809	0.6
456.02512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
59.04972	0.1
61.02929	1.6
68.99792	0.5
69.03413	0.5
70.08728	0.4
71.04997	9.3
73.02905	0.6
75.04467	0.5
77.74056	0.1
79.92464	0.1
81.03404	0.2
83.04973	0.5
85.02910	11.3
87.04478	0.3
91.03963	1.0
93.72999	0.1
97.02895	1.1
99.04462	0.2
105.03403	0.2
107.04932	0.3
109.02897	0.3
111.00793	0.5
111.04449	0.3
115.03954	0.1
121.02865	2.0
127.03909	0.5
127.13689	0.1
129.05486	2.9
133.02875	0.3
137.02325	0.7
139.74873	0.1
145.04967	0.4
147.04411	0.5
147.06514	1.0
153.01837	2.7
153.50378	0.1
165.01834	1.5
171.04405	0.2
183.02881	0.5
185.05934	0.3
189.05470	0.2
213.05492	1.1
231.06572	0.6
241.04988	0.6
258.05334	0.8
259.06021	0.4
287.05505	100.0
288.05905	0.6
299.05701	0.1
449.10788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01853	3.5
55.05320	1.1
55.05514	12.4
57.03437	10.0
67.05509	20.0
69.03423	4.3
69.07056	4.2
69.37617	4.2
69.38034	6.5
69.43168	1.3
71.04980	3.9
79.05497	21.1
81.03423	45.6
81.07057	18.7
83.05013	5.8
83.08619	12.5
85.02887	2.2
85.06525	2.4
87.39350	1.2
91.05482	15.7
93.07047	14.9
95.04971	21.6
95.08611	11.4
97.02879	2.3
97.06529	4.5
97.10172	16.2
103.05470	1.6
105.07044	13.9
107.04983	13.4
107.08594	10.4
108.87698	1.3
109.06517	9.1
109.10151	7.1
111.04435	2.0
111.08077	5.3
115.05424	1.2
117.07040	5.9
119.08588	14.6
121.06496	9.9
121.10126	8.1
123.08062	3.8
123.11658	2.1
125.09640	12.4
129.07027	8.6
131.04953	2.4
131.08572	10.0
133.06487	4.5
133.10103	4.1
135.08043	4.4
137.09618	2.1
141.06985	2.8
143.08562	2.2
145.06488	6.4
145.10138	4.5
147.08041	5.2
147.11676	6.3
149.09616	3.9
153.09070	1.9
157.06519	1.4
157.10152	7.8
159.11708	2.6
161.09694	1.8
163.11180	3.8
165.12758	1.2
167.10742	1.7
169.10056	1.5
171.08055	1.4
171.11691	2.2
173.09680	1.4
173.13199	1.8
175.11214	6.2
177.12704	1.9
183.11803	1.5
185.09567	1.7
189.05408	1.5
189.11212	7.2
189.12730	2.4
193.12270	16.2
195.11858	1.4
199.11279	1.8
205.12181	1.4
213.12868	2.3
215.14252	1.7
219.13782	2.3
223.13321	1.5
227.12715	1.8
233.15370	4.5
237.12845	1.3
241.14427	2.5
255.13847	2.7
259.13211	1.3
259.20361	1.2
267.15939	34.1
273.14764	4.7
287.05441	2.3
293.17419	1.7
349.21585	3.5
357.23880	1.6
367.22626	17.2
367.60272	1.4
385.23727	23.0
403.24628	9.0
405.23999	2.5
441.26410	8.9
454.03043	1.7
459.27429	100.0
460.27841	1.6
477.28522	83.7
491.30154	11.3
509.30865	5.6
541.33051	1.9
622.98755	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01871	7.0
56.96579	3.1
57.03448	2.3
57.07074	5.6
60.34013	1.5
67.05502	4.7
69.03433	8.0
69.07064	8.4
70.02966	4.7
70.06657	1.6
71.04984	3.0
71.55560	2.9
72.04524	20.0
73.02921	12.5
74.09735	2.6
79.05500	2.8
81.03416	19.8
81.07060	1.5
83.04992	6.2
83.08623	2.3
84.04515	4.6
84.08067	1.4
85.02914	11.7
85.06542	7.3
86.09683	2.1
87.08113	3.4
87.96500	1.4
90.05567	32.1
91.05479	4.2
93.07039	2.7
95.04966	12.3
97.02908	10.7
98.02409	16.6
98.97602	2.7
99.04408	3.6
100.03976	5.4
103.05471	4.3
103.07578	2.7
105.07040	5.4
107.04944	2.2
109.02888	30.0
113.06018	5.0
116.03465	13.2
117.03368	2.5
119.04935	3.7
121.06506	7.0
121.10189	1.6
124.03974	5.9
124.07594	20.7
127.03929	15.6
130.04987	1.6
131.04965	2.3
132.06578	8.0
135.04420	9.6
137.42354	1.4
138.05528	2.8
139.03928	1.7
142.08664	23.0
145.02823	8.0
145.04977	7.3
147.04396	3.8
148.06071	3.0
149.05992	12.4
159.04425	3.4
160.09711	4.6
166.08664	4.6
167.07031	5.7
172.09697	3.6
174.11298	5.0
177.05486	78.1
181.04942	1.8
184.08159	2.7
184.09720	35.2
187.06053	2.0
189.05621	1.7
193.08539	2.5
193.12303	4.6
195.06535	10.1
198.07544	1.7
199.06067	4.7
202.10762	77.6
211.09808	7.0
216.08669	3.7
217.07056	4.8
220.11827	19.7
230.10297	7.7
234.09703	9.8
244.11783	2.1
250.14557	1.7
255.58441	1.9
262.12814	11.6
267.15881	3.8
285.16989	7.3
287.05490	11.8
310.12845	10.4
328.13919	80.2
346.14969	38.6
346.18973	2.9
364.16040	100.0
367.38867	1.6
382.16974	14.6
406.20483	2.0
441.41788	1.5
449.11243	1.9
505.10440	1.7
522.19800	2.3
540.20782	5.6
558.21643	7.0
576.21973	3.1
594.27527	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
70.49747	0.3
70.50114	0.3
78.02124	0.1
87.69758	0.1
98.21554	0.2
108.76354	0.1
110.13882	0.2
114.95411	0.2
118.06556	0.1
168.05579	0.1
194.61873	0.1
222.11435	0.2
222.63449	0.1
223.12280	0.2
229.19981	0.2
237.13846	0.2
249.65633	0.2
286.13370	0.2
314.16284	0.1
371.56519	0.1
387.16199	0.3
388.16690	0.2
389.17435	0.8
390.18259	0.2
401.17838	0.6
402.18317	0.7
403.19165	2.5
404.20013	0.9
405.20816	1.5
415.19678	0.3
416.20511	0.4
417.16666	0.7
417.21371	2.8
418.16748	0.2
418.22028	1.2
419.22473	3.1
420.23236	0.2
421.24011	0.2
429.21497	0.2
430.17319	0.9
431.18134	6.7
432.18695	2.1
432.24188	0.3
433.24298	4.9
434.24670	1.0
443.18500	0.3
444.18927	0.3
445.19974	8.6
446.20706	3.6
447.21640	4.5
449.23407	0.5
458.21350	0.2
459.21420	2.8
460.22556	9.5
461.23300	7.2
463.20963	0.3
472.22861	0.2
473.23917	1.6
474.24158	0.5
476.25729	0.7
477.22668	0.7
487.25128	1.1
488.25241	0.2
489.26486	0.5
491.25275	1.0
492.25293	1.2
493.26334	0.2
504.21359	0.2
505.22147	5.2
515.24323	0.3
518.23145	0.6
519.23828	0.8
533.25488	25.9
534.26093	0.7
547.27130	0.3
550.25427	0.3
561.24994	0.3
563.23340	0.2
564.23737	0.7
565.28229	0.9
575.26599	0.3
578.25500	0.2
593.27557	100.0
594.27875	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66120	0.3
55.05511	4.0
56.05815	0.3
56.35391	0.3
57.03441	1.7
57.07081	3.8
58.07390	0.3
59.04958	0.4
67.05508	6.2
68.05829	0.6
69.03395	0.3
69.07081	1.6
69.70052	1.4
71.04990	0.3
71.08311	0.3
71.08633	2.9
76.17078	0.4
79.05492	1.7
81.07069	3.1
83.04959	0.5
83.08617	2.1
84.08940	0.5
85.02908	1.4
85.10190	1.4
87.04467	0.8
91.05468	0.8
93.07007	0.9
93.17389	0.3
95.08614	3.0
96.08965	0.3
97.06520	0.4
97.10172	2.5
98.21523	0.6
105.06970	0.5
107.08562	1.1
108.08898	0.3
109.06464	0.3
109.10158	4.5
110.10472	0.5
113.42462	0.3
123.11729	0.4
125.09638	2.3
126.09990	0.4
143.10683	0.6
173.11725	0.9
199.13290	1.1
224.16685	0.3
227.12840	0.6
228.13133	0.4
229.14366	3.1
230.14735	0.8
283.15201	0.6
301.16476	1.0
302.16644	0.5
313.27386	6.1
313.30783	0.6
314.27719	3.8
368.64804	0.3
388.16992	0.3
389.17694	1.0
401.17984	0.4
402.18375	0.6
403.19226	2.7
404.20062	1.1
405.20718	1.9
415.19357	0.4
416.20056	0.9
417.16342	0.8
417.21436	3.1
418.21964	1.8
419.22433	2.9
430.17615	0.6
431.18262	8.9
432.18271	1.7
432.23990	0.7
433.24228	7.8
434.24655	0.8
438.36688	0.4
445.19864	9.9
446.20776	4.4
447.21765	4.4
455.37408	0.6
456.37601	0.5
459.21552	3.4
460.22638	11.8
461.23386	11.0
463.21310	0.5
467.37265	1.1
468.37595	0.9
473.23758	1.8
474.24191	1.0
476.25616	1.4
477.27359	0.5
487.24918	1.2
489.26398	0.6
491.24823	0.7
492.25266	1.0
505.21890	4.9
518.23309	0.6
519.23645	0.6
533.25513	45.1
534.25958	1.0
539.40051	0.4
547.27368	0.4
561.24609	0.4
564.23529	0.6
565.28094	0.8
575.26910	0.8
593.27594	100.0
594.27863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
65.03932	10.8
67.05499	4.2
69.03434	8.5
71.01345	3.9
79.05495	6.1
81.03422	7.8
82.74360	2.7
85.02916	13.6
87.28941	2.9
91.05478	54.8
93.07053	6.2
95.04946	6.5
97.02901	5.9
103.05431	13.4
105.03391	5.9
105.07072	4.7
107.04994	4.3
109.02843	3.4
109.06522	2.8
117.03380	3.2
119.04941	75.4
121.06532	6.1
127.03915	5.4
129.03349	11.4
131.04968	17.8
133.06461	13.2
135.04372	5.3
139.03909	7.4
145.02866	25.2
147.04411	100.0
149.05992	20.7
151.07521	3.2
159.04443	22.8
161.05998	19.5
165.05493	7.3
165.06902	5.3
167.08574	5.0
173.02319	4.2
175.03909	42.8
177.05461	35.3
178.07764	4.8
179.07056	10.4
187.03854	4.9
189.05469	87.3
189.06946	3.7
189.09294	3.2
190.07835	6.6
191.07048	7.3
191.08586	11.6
193.04967	8.9
195.08049	7.7
202.07797	4.0
203.03384	12.1
205.04921	38.2
205.06519	3.2
207.06509	54.9
207.08252	3.3
208.08684	3.1
209.07974	4.2
209.09779	5.9
219.06296	5.6
219.08084	12.0
223.07689	6.0
225.07526	9.5
235.07454	4.5
237.07320	7.1
237.09355	6.7
247.07584	16.5
251.06970	5.2
255.08698	7.7
263.06857	3.6
265.08575	11.9
267.10559	3.1
275.07043	16.9
279.10004	3.0
293.08060	16.9
303.06589	12.1
307.09753	7.2
311.09210	3.2
321.07532	11.0
325.10593	4.1
331.05994	3.7
333.13263	3.0
335.09137	10.3
349.06934	7.6
353.10373	14.0
363.08585	11.1
371.11139	3.1
381.09689	39.4
385.13098	4.1
395.11169	14.2
399.10571	9.4
413.12268	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	593.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79692	1.7
63.39989	1.7
65.03940	3.8
67.05507	2.2
67.14211	1.9
69.03435	3.8
69.55118	4.0
69.55525	8.9
79.05500	5.4
81.03401	3.2
81.07081	2.8
83.23782	2.1
85.02906	8.5
91.05488	34.3
93.03368	2.2
95.04964	3.3
97.02898	3.2
98.21587	3.8
103.05469	7.2
104.95451	1.9
105.03362	1.9
105.07045	3.5
105.39025	1.7
107.04975	3.6
109.06490	2.8
117.03359	2.3
119.04951	37.9
121.06495	4.4
123.03584	2.1
123.04452	3.4
127.03928	4.4
129.03392	13.8
131.04945	7.9
133.06470	5.3
135.04413	4.2
137.05971	4.6
139.03911	4.1
145.02878	10.9
145.04979	2.8
147.04417	59.8
149.06004	6.9
159.04398	10.5
161.05911	10.4
163.03914	4.3
165.05463	6.6
165.06973	2.4
167.08609	2.9
173.02406	3.2
175.03893	26.2
177.05495	19.0
178.07779	3.6
179.07042	3.6
189.05479	100.0
189.06836	3.6
191.07056	5.6
191.08582	4.3
193.04976	15.0
195.08090	2.8
203.03433	5.2
205.04979	17.3
205.06558	2.5
207.06516	29.0
219.06284	4.1
219.08224	8.6
223.07542	3.5
225.07613	5.6
237.07367	3.6
237.09386	2.9
247.07544	8.0
251.07056	3.0
255.08566	3.2
263.07169	2.8
265.08783	8.6
275.07098	6.9
279.10117	3.0
293.07980	9.9
303.06592	4.7
307.09573	5.2
310.92889	1.8
321.07660	6.7
325.10703	3.3
335.09171	7.2
349.07126	5.7
353.10132	8.4
363.08667	6.6
381.09790	19.5
395.11365	6.9
399.10889	2.6
413.12344	6.4
531.86578	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79994	1.2
67.05488	1.2
69.03422	3.5
69.19504	13.6
70.43506	1.2
70.99860	1.8
74.93753	1.2
81.03430	2.4
82.99862	3.4
85.02914	7.3
86.99332	1.8
91.05483	4.9
94.99844	1.8
97.01369	1.2
97.02892	5.2
98.97585	1.8
101.00883	29.6
103.00616	1.2
103.02448	1.6
109.02846	1.8
113.00887	10.0
115.02468	6.7
119.01923	36.3
119.04967	7.3
123.07451	1.3
127.02418	10.4
127.03894	2.4
129.00328	2.2
131.01917	18.3
133.03479	6.0
137.00859	2.0
137.03001	1.8
139.02403	6.8
143.01900	25.9
145.01692	2.1
145.03503	26.4
147.01447	2.9
147.04404	13.4
149.02969	1.6
149.04501	2.4
153.03987	8.0
155.01892	31.3
156.02640	3.2
157.03487	31.1
159.03065	1.4
161.02982	19.1
161.04486	15.9
161.05788	1.6
163.02492	1.2
163.04535	4.8
165.03993	2.1
167.01929	5.1
167.05568	1.8
171.05031	3.7
173.02971	31.6
175.04607	7.3
177.03958	13.2
177.05354	2.0
177.24074	1.3
179.05573	11.0
179.06993	2.4
181.03474	11.5
181.05573	1.4
183.05150	1.7
185.02925	11.8
187.02486	5.9
187.04456	2.3
189.03979	2.9
189.05516	4.2
191.03755	1.3
191.05502	6.8
193.03336	2.1
195.05035	40.7
196.04584	1.4
197.04991	1.5
197.06602	7.9
199.04485	2.6
201.04077	2.6
203.03978	27.3
203.05513	2.5
204.04802	1.8
205.03477	18.4
205.05589	10.6
207.05049	21.7
207.06598	3.5
209.06613	10.7
211.04483	2.2
213.06099	2.6
215.05550	2.2
219.05052	13.5
220.06842	2.4
221.02873	2.7
221.05069	45.4
221.06714	12.2
223.04524	30.3
223.06660	41.3
225.05936	2.3
225.07837	2.1
229.03517	2.1
231.05048	5.9
233.02969	5.8
233.06606	6.2
235.08192	2.3
237.06036	8.5
239.07684	5.1
241.05652	7.2
241.07613	8.6
243.05087	1.8
246.08321	1.9
247.04416	10.4
249.02464	5.9
249.06129	3.8
257.02737	2.4
257.06790	2.2
259.04504	3.9
261.06076	5.8
263.04102	3.2
265.05313	10.6
265.08115	7.0
267.03500	3.2
267.07227	2.4
273.06253	1.8
275.03879	1.9
279.07132	61.1
289.05542	3.7
291.03552	3.0
291.06949	2.6
293.04828	2.3
297.08203	63.8
299.09802	17.0
301.05640	5.1
305.08575	4.5
307.06793	3.0
309.04553	17.1
311.06131	4.0
317.05032	1.7
319.06744	2.5
320.09595	1.7
321.08249	3.7
323.06223	19.3
323.09894	4.5
331.06662	2.5
341.07050	5.4
343.08789	6.3
345.04465	1.9
349.07645	40.1
350.07919	2.0
351.05707	5.7
353.07358	2.4
365.07181	2.5
367.08286	11.7
369.10358	21.5
375.05545	3.7
385.09894	2.9
387.10974	6.8
393.06631	15.1
395.08444	1.8
410.95871	1.5
411.07697	53.2
413.09280	17.9
429.08804	89.5
431.10373	62.5
452.10452	4.2
593.15582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
55.72963	2.0
57.03439	3.3
61.02912	3.3
61.23682	1.9
69.03433	11.3
71.54336	3.1
73.02916	1.8
81.03416	3.6
82.99869	2.9
85.02902	13.2
89.03941	4.8
91.05476	10.9
97.02905	11.9
98.97597	2.3
101.00880	29.2
103.00643	4.2
103.05466	2.8
105.00379	1.9
113.00201	2.0
113.00878	10.8
114.59329	1.9
115.02435	4.9
115.55295	1.9
117.03393	2.6
119.01928	45.5
119.04929	16.6
121.01703	5.4
127.02441	8.7
127.03936	9.4
131.01906	25.5
133.03481	10.7
135.04434	8.4
137.03001	3.4
139.02460	4.5
143.01918	29.6
145.03482	29.0
145.05000	4.6
147.01387	5.0
147.04384	19.0
149.02956	2.8
149.04433	1.9
151.04559	2.3
153.04044	10.8
154.03203	1.9
155.01889	37.2
156.02786	3.7
157.03482	33.4
159.03171	4.6
161.01018	2.5
161.03000	27.7
161.04509	13.6
163.02554	1.7
163.03856	47.2
164.04274	3.4
165.04166	2.5
165.05557	2.8
167.01964	7.0
169.01796	2.1
169.03461	4.2
171.05057	5.3
173.02988	35.1
175.02722	1.9
175.04544	11.2
177.04028	11.9
177.05479	2.3
177.16685	2.2
179.05597	13.5
179.07083	2.9
181.03517	16.1
181.05586	2.5
183.05101	2.2
185.02943	17.3
186.02972	2.0
187.02695	5.5
189.04030	3.7
189.05525	13.2
191.05609	5.7
193.03474	2.7
195.05057	42.9
197.04807	4.1
197.06624	6.8
198.03253	2.1
199.04483	4.2
203.03987	30.8
203.05510	4.1
205.03513	20.4
205.05591	15.4
207.05081	26.0
207.06654	8.1
209.06584	17.7
219.05095	12.7
220.06868	6.8
221.02975	4.9
221.05104	57.7
221.06731	13.9
223.04561	38.1
223.06683	44.8
224.06792	2.8
225.06126	4.6
225.07751	2.9
229.03578	4.0
231.05135	3.6
233.03078	4.3
233.06645	7.5
237.06091	10.3
239.04053	4.0
239.07750	4.7
241.05598	8.8
241.07784	8.2
245.05191	8.8
246.05333	3.1
247.04558	16.4
249.02483	6.7
249.06207	5.7
250.07957	3.6
251.04121	2.4
251.07870	2.2
257.03070	2.8
257.06485	2.1
259.04599	2.6
261.06082	5.5
263.04163	3.0
265.05637	7.6
265.07791	6.4
267.03409	2.6
267.07376	3.4
275.06219	3.2
279.07117	57.1
279.09897	3.6
287.06448	2.6
289.05682	4.0
291.03574	2.6
297.08231	73.9
299.09769	18.4
301.05579	5.8
305.08676	3.6
307.06812	4.4
309.04523	14.3
319.06668	2.9
321.08197	4.5
323.06207	24.2
323.09698	4.2
331.06656	3.6
333.04807	2.5
341.07224	5.6
341.10806	3.3
343.08841	7.2
349.07629	48.0
351.05707	6.9
365.07211	5.6
367.09268	10.2
367.11307	10.5
369.10394	26.0
375.06064	2.8
377.07233	3.2
385.10031	2.5
387.13443	7.5
387.23016	2.1
393.06653	18.1
395.08447	5.3
399.08319	2.6
411.07742	61.1
413.09384	18.7
429.08801	95.3
431.10373	77.7
437.09430	7.0
452.10498	5.5
549.15289	3.6
593.15643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01856	3.1
55.05513	30.6
57.03437	14.3
57.06380	1.0
57.07078	40.3
59.04992	3.0
67.05506	58.5
68.05830	3.1
68.81148	1.0
69.03394	1.8
69.07072	12.1
69.07447	1.8
69.29024	9.8
71.04978	3.2
71.08633	26.3
72.08965	1.1
75.04459	1.5
79.05497	21.5
80.05827	1.4
81.03397	2.8
81.07059	36.2
83.04984	3.4
83.08624	17.2
85.02903	11.0
85.06550	2.9
85.10188	12.5
87.04463	6.4
91.05481	8.1
93.07049	17.2
94.07389	2.2
94.76907	1.1
95.04963	1.9
95.08609	32.5
96.08917	2.7
97.02846	1.1
97.06504	3.0
97.09558	1.5
97.10166	21.2
99.08092	1.6
103.03980	1.7
103.07546	1.6
105.07030	4.4
107.08607	14.7
108.08961	1.6
109.06526	1.4
109.10155	41.8
111.08059	1.5
111.11632	1.1
113.09664	1.4
115.05463	1.2
117.07009	2.8
119.08559	3.5
121.10141	7.8
122.10491	2.4
123.11700	4.8
123.75327	1.1
125.09621	19.6
131.05046	1.2
131.08556	4.1
133.10068	2.2
135.11707	4.3
137.09621	1.8
137.13237	1.4
143.10652	4.9
145.10110	2.7
147.11688	1.3
149.13281	2.8
155.10678	3.2
163.11148	1.9
163.14821	2.2
173.11772	10.7
199.13336	11.4
209.11732	2.5
220.97313	1.2
223.13339	1.6
227.12798	3.2
229.14359	38.2
239.23730	6.0
243.21098	3.5
244.21432	3.1
257.13840	2.1
257.24600	1.5
261.22186	8.6
262.22504	7.1
283.15378	2.4
301.16461	13.8
313.27368	100.0
314.27725	16.4
335.25787	12.2
336.26160	10.1
408.29074	1.2
437.36319	5.2
447.20886	1.3
455.37375	8.5
460.22446	2.5
461.23517	1.3
467.37399	18.9
533.25525	5.3
539.39130	6.3
557.39063	1.6
574.49310	6.5
592.26416	2.4
593.27460	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	592.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01870	2.2
55.05510	31.8
57.03436	13.5
57.07078	31.8
67.05504	44.2
69.03436	1.5
69.07077	11.6
71.04974	2.3
71.08631	25.4
71.56691	1.6
73.02903	1.2
79.05489	15.3
79.83675	1.1
80.94071	1.1
81.06592	1.7
81.07053	28.7
83.04982	3.7
83.08150	1.7
83.08616	18.5
85.02909	15.8
85.10181	12.1
87.04472	7.2
89.06010	1.7
91.05470	6.1
93.07018	3.8
95.08604	20.7
97.02878	1.7
97.06541	2.4
97.10173	25.4
103.07587	1.5
105.07047	2.5
107.04917	1.7
107.08580	8.8
109.10159	36.7
119.08572	1.9
121.10141	2.7
123.11698	3.6
125.08761	2.1
125.09631	23.6
133.10081	1.2
135.11687	2.0
136.78712	1.1
137.13255	1.4
143.10663	4.6
153.12743	1.7
155.10612	2.5
163.11102	2.5
173.11731	8.9
191.10608	1.4
199.13278	14.2
209.11671	2.8
217.14336	1.3
227.12769	5.8
229.14354	36.0
239.23653	6.0
242.39857	1.3
257.24829	2.8
301.16473	19.0
313.27368	100.0
314.27621	1.6
319.17502	3.9
341.27032	2.8
367.68872	1.3
437.36218	5.0
455.37335	16.9
464.72025	1.4
467.37213	17.1
495.25269	1.3
539.39874	8.2
557.39905	3.0
592.25934	2.6
593.39471	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	15.0
56.07321	3.0
57.03432	11.7
57.06830	3.4
57.07077	44.5
65.03937	3.7
67.05191	3.8
67.05512	55.5
69.07076	19.0
70.24179	5.0
70.24560	5.3
71.08638	31.0
79.05502	43.2
81.07056	64.0
83.05021	3.1
83.08612	11.4
85.06525	4.7
85.10190	16.9
89.06042	2.8
91.05461	16.2
93.07046	47.7
95.04948	4.0
95.08602	51.3
97.06494	2.8
97.10159	5.1
99.08088	3.4
101.30350	2.6
105.07043	16.3
107.08572	25.8
109.10143	20.4
112.08822	3.1
113.09615	4.0
117.07040	5.6
119.08562	12.7
121.10151	22.9
123.11710	10.3
131.08562	14.5
133.10121	8.4
135.11728	17.4
137.13269	4.4
145.10121	10.5
147.11691	9.4
149.13283	13.1
157.02748	2.6
159.11705	7.3
161.13260	4.3
163.14822	12.3
173.13269	9.7
177.16373	8.2
187.14900	5.4
201.16515	3.3
233.22624	4.6
238.70396	2.8
239.23586	3.9
243.21046	24.3
261.22131	47.4
313.27362	100.0
317.24701	11.4
335.25833	66.0
440.40778	2.9
573.48914	25.2
591.41711	14.0
591.50043	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	592.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01863	1.7
55.05513	30.0
56.68348	0.9
56.75890	0.9
57.03439	13.3
57.07079	36.1
58.07396	1.0
59.05000	1.5
65.03947	1.0
67.05505	50.3
69.03437	1.4
69.07073	11.7
69.22475	1.6
69.22879	9.0
70.07384	1.1
71.04977	2.2
71.08631	24.4
72.08947	1.3
75.24610	1.0
79.05493	18.0
80.05819	1.9
81.03404	1.5
81.07057	31.7
82.07401	3.3
83.04980	2.5
83.08616	15.7
85.02903	9.8
85.10185	10.3
87.04456	5.7
89.06020	2.1
91.05480	7.9
93.07045	11.7
94.07375	2.9
95.04987	1.3
95.08609	29.1
96.08931	2.5
97.10178	17.2
99.08097	1.3
103.03974	1.3
103.07562	1.2
105.07033	5.1
107.04983	1.3
107.08597	11.4
108.08958	1.7
109.10157	31.6
110.10477	1.3
111.08109	1.2
111.11726	1.3
113.36491	1.0
117.07060	1.5
118.48131	1.0
119.08582	3.9
121.10150	6.6
122.10504	1.3
123.08075	1.5
123.11692	4.0
125.09639	17.5
131.08580	2.9
133.10150	2.2
135.11681	4.6
136.12073	1.3
137.09576	2.3
137.13268	2.9
143.10696	4.6
145.10097	2.0
149.13252	3.2
150.13644	1.3
153.12859	1.4
155.10652	3.4
159.11688	1.5
161.13289	1.1
163.11174	3.0
163.14822	2.9
164.15178	1.2
173.11761	11.2
173.13177	2.0
177.16414	1.6
199.13266	11.9
209.11696	1.9
227.12781	3.6
229.14351	38.5
239.23683	4.8
243.21170	2.8
244.21483	2.8
257.24704	2.0
261.22232	9.4
262.22498	8.5
283.15421	1.6
301.16418	13.4
313.27359	100.0
314.27695	15.6
318.25110	1.7
335.25638	9.0
336.26126	10.6
341.26770	1.8
431.18250	1.2
433.23105	1.2
437.36130	4.8
455.37555	9.7
467.37305	18.4
471.92023	1.3
533.25439	2.7
539.39240	6.0
574.49158	7.0
593.27411	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	591.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.05508	13.5
57.03446	10.6
57.06830	2.8
57.07081	33.2
67.05508	54.6
69.07068	15.6
71.04964	2.7
71.08632	24.6
74.62538	1.6
76.21485	1.5
79.05503	30.9
81.07055	55.6
83.08621	11.7
85.06480	2.2
85.10168	10.8
91.05489	14.0
93.07044	43.8
95.04971	3.7
95.08611	55.0
97.06549	2.4
97.10171	3.7
105.07027	11.9
107.08607	23.1
109.10165	26.2
117.07019	5.4
119.08589	9.5
121.10149	19.7
123.11700	12.8
130.99892	1.7
131.08549	9.5
133.10152	8.3
133.22368	1.6
134.86635	1.7
135.11710	14.0
137.13274	4.0
145.10086	4.9
147.11687	6.9
149.13252	9.1
152.56546	2.0
159.11693	9.3
161.13235	7.2
163.14809	6.0
165.16434	1.7
173.13287	8.4
187.14836	5.7
229.52550	2.3
233.22687	2.3
239.23660	5.4
243.21078	12.4
257.85037	1.7
261.22153	57.1
279.23227	2.2
313.27368	100.0
317.24683	10.0
335.25790	65.9
347.93228	1.7
436.87985	1.7
539.58698	1.7
573.48755	21.7
591.49677	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	591.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
55.01870	5.1
55.05509	12.7
57.03444	13.7
61.02934	10.0
65.03954	1.6
67.05509	17.3
69.03432	29.2
69.07063	5.9
70.06607	2.1
71.04974	7.1
73.02905	7.4
79.05493	17.8
80.59100	1.4
81.03421	93.6
81.07057	19.2
83.04987	20.8
83.08626	21.9
84.08141	1.7
85.02438	2.9
85.02905	32.9
91.03932	5.2
91.05480	24.3
93.07044	12.2
95.04978	25.6
95.08617	9.1
97.02894	58.7
97.06518	5.2
97.10162	4.0
98.21501	3.1
99.04429	10.6
101.02370	5.4
103.03929	4.9
105.07048	19.4
107.04958	8.9
107.08604	9.0
109.02896	17.4
109.06541	3.3
109.10167	3.5
111.04428	9.6
111.08089	10.0
115.03972	2.4
115.05493	1.8
117.07023	3.2
119.04914	4.4
119.08552	15.5
120.08108	2.2
121.06525	2.9
121.10143	8.3
123.08051	3.0
123.11717	2.4
127.03905	25.9
129.05475	7.8
129.07024	9.7
131.04906	3.2
131.08536	10.5
133.06485	4.9
133.10156	9.7
135.04425	2.5
135.11707	2.8
137.05954	2.8
142.07826	2.7
145.04942	2.0
145.10036	2.2
147.04379	5.2
147.08098	4.1
147.11710	17.2
149.06010	3.0
149.07430	7.8
149.09602	6.1
151.03903	16.2
153.12726	4.3
157.10104	12.8
163.11148	5.5
165.12773	6.1
173.04419	2.4
175.11162	13.1
177.05519	2.8
181.12222	3.4
183.06557	8.6
185.04297	2.1
189.05434	3.9
189.11169	2.7
189.12764	2.2
191.10619	2.8
191.93495	2.1
193.12250	55.6
201.07533	3.8
203.05243	2.8
211.13295	100.0
217.12323	2.2
218.07468	1.7
227.12830	8.8
229.14351	7.6
229.64404	2.0
232.07118	3.7
235.13229	5.2
249.14873	10.6
259.13327	2.7
261.12582	3.1
267.15884	13.1
273.14771	3.1
283.15445	2.0
285.16992	47.0
299.10605	3.3
301.14182	3.1
303.04947	1.7
309.16995	5.5
313.16287	2.9
321.16791	1.7
337.16299	4.3
347.18884	2.0
351.18011	4.7
355.17435	7.5
362.58875	2.1
375.17947	7.7
381.19046	2.1
385.47321	1.7
387.39102	2.3
393.19104	14.6
411.15524	2.2
411.20135	24.3
429.21231	29.3
447.22458	1.9
461.16180	2.9
573.25488	4.2
591.19446	27.5
591.27429	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	590.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28497	2.0
53.03942	2.1
55.05503	8.7
57.03436	18.0
57.07077	33.3
67.05499	17.0
69.07062	9.5
71.08628	22.1
71.22877	4.4
78.81995	1.9
79.05473	9.4
81.03413	69.9
81.07046	20.0
83.04984	2.9
83.08613	20.9
85.10180	14.1
91.05482	14.8
93.07031	7.9
95.04971	21.3
95.08600	19.2
97.10150	5.5
105.07014	10.1
107.04958	4.2
107.08574	4.9
109.06550	4.2
109.10161	8.2
111.08112	5.1
119.08565	10.3
121.10140	5.3
123.11694	5.7
129.06966	8.2
131.08572	4.2
133.06505	2.4
133.10115	5.7
147.08008	2.4
147.11731	4.6
149.09615	6.2
157.10170	8.2
162.13515	1.9
163.11279	2.3
175.11221	8.3
193.12233	25.0
249.14812	2.7
257.24893	2.1
266.10355	2.4
267.15906	100.0
313.27359	93.6
314.27631	2.9
318.41843	1.9
347.17065	2.2
370.81140	1.9
444.97098	2.1
505.38892	67.1
590.48248	4.3
599.73004	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.3
55.91558	3.0
57.03422	10.7
57.06823	5.0
57.07072	46.7
60.13178	3.4
67.05497	48.4
68.03728	3.5
68.35970	3.0
69.07070	17.0
71.08633	31.9
71.54651	5.4
79.05489	33.8
81.06644	4.5
81.07056	44.8
83.04962	3.5
83.08620	18.2
85.10172	15.2
91.05479	49.5
93.07040	38.9
93.15660	3.2
95.04955	5.3
95.08608	49.9
95.66194	3.5
97.10133	12.2
105.07031	51.9
107.08583	30.1
109.09489	3.3
109.10110	17.7
117.07038	15.6
119.08574	44.3
121.10167	18.3
123.11673	5.0
125.09657	3.4
129.06982	8.4
131.08560	19.8
133.10124	35.7
135.11708	18.7
143.08559	9.0
145.10098	23.4
145.39015	3.8
147.11679	38.0
149.13219	11.8
157.10156	7.3
159.11739	17.1
161.13271	26.8
171.11691	14.4
173.13274	8.8
175.14830	12.0
177.12718	3.3
179.14253	4.7
185.13245	9.2
187.14839	4.6
199.14832	4.3
231.21088	12.5
239.23628	4.3
241.19528	33.5
259.20566	100.0
277.21582	7.5
313.27371	95.4
315.23178	7.1
333.24222	55.5
335.25671	5.4
571.47321	12.2
589.48926	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	588.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.05515	17.5
57.03437	13.4
57.07064	11.1
62.68259	3.1
67.05505	13.1
69.07063	21.3
71.08631	8.8
71.16112	5.8
79.05492	10.2
81.03419	59.8
81.07036	13.5
83.04993	4.2
83.08628	25.9
91.05470	13.9
93.07042	9.4
95.04948	14.3
95.08591	7.5
97.02924	3.0
97.10166	13.0
100.29803	3.4
105.07017	9.8
107.05007	3.6
107.08602	6.3
109.06540	3.7
109.10197	3.4
111.08085	5.6
119.08589	5.9
121.06452	4.4
121.10147	9.9
129.07002	7.3
131.08572	5.3
147.08070	3.0
149.09552	3.4
157.10208	4.0
175.11227	5.9
193.12242	18.4
205.98322	2.8
213.73143	3.1
236.26112	2.8
239.56744	2.7
261.17801	2.7
267.15927	100.0
311.25836	59.9
313.27380	5.6
324.92349	3.4
482.06860	3.0
503.37225	47.5
504.36249	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	587.394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83891	0.9
55.05503	6.6
57.03429	0.9
57.07070	2.2
58.22749	1.0
63.88494	0.8
65.03929	1.0
67.05504	12.4
69.03410	1.1
69.07067	12.2
71.08632	1.0
71.55080	1.0
73.02917	2.2
79.05489	7.0
81.06594	1.5
81.07055	23.9
83.08631	5.6
85.02901	7.8
85.06516	1.1
91.05484	13.8
93.07042	18.4
95.01314	3.2
95.04968	1.8
95.08608	42.0
97.10159	3.3
101.02395	0.9
105.07030	26.4
107.08595	32.3
107.09309	1.8
109.06456	0.9
109.10155	29.7
111.08086	4.7
113.02367	3.7
117.07016	2.7
119.08583	36.5
121.10142	21.1
123.11716	10.6
125.09583	1.4
130.42929	0.8
131.03384	1.3
131.08551	4.1
133.10132	35.2
135.11700	16.9
137.13232	2.5
139.03572	1.0
141.01857	5.1
143.08566	1.4
145.10138	8.5
147.11688	27.4
149.13249	18.5
149.14391	1.4
151.11188	3.3
157.10153	1.6
159.02861	1.0
159.11684	7.3
161.13258	18.3
163.14824	28.8
165.16454	1.9
171.11653	1.0
173.13264	4.4
175.14828	58.0
177.16383	10.2
179.08853	1.0
179.14284	1.1
187.14781	10.7
189.16393	21.9
191.16205	2.1
191.17952	43.5
199.14798	1.7
201.16389	7.7
203.17957	100.0
205.19498	2.8
207.17577	1.1
213.16426	2.5
215.17966	12.0
217.19540	3.7
221.18974	12.2
226.29614	0.9
227.17998	1.2
229.19510	5.8
231.21135	5.3
240.30640	1.0
243.21086	2.5
245.22546	1.3
255.21169	2.0
257.22531	1.3
269.22604	1.7
283.23956	1.0
393.35156	23.3
411.35858	2.1
522.04584	1.0
587.29138	4.9
587.39160	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	588.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.05513	23.0
57.03435	11.9
57.07073	16.3
67.05192	2.5
67.05495	16.2
69.07063	23.1
70.85831	4.8
70.86205	3.2
71.08643	11.4
79.05490	15.4
81.03417	59.8
81.07054	20.1
83.04966	5.2
83.08611	34.8
85.06490	2.5
85.10181	3.8
91.05473	15.9
93.07019	12.4
93.53107	2.2
94.07350	2.3
95.04970	18.1
95.08604	14.1
97.02862	4.4
97.06516	7.4
97.10168	19.7
105.07030	13.8
107.04933	6.2
107.08577	6.5
109.06504	4.5
109.10145	7.0
111.04450	6.0
111.08034	5.1
111.11700	4.3
119.08571	10.1
121.06480	3.8
121.10155	6.6
123.08040	2.7
125.09587	3.0
129.06982	5.1
131.08548	6.0
133.10130	4.8
135.11676	5.1
142.07770	3.0
145.10071	2.8
147.11676	6.9
147.99680	2.0
149.09616	5.0
157.10112	6.8
163.11201	5.8
175.11183	5.0
193.12245	17.6
223.13287	2.3
241.14337	4.0
267.15915	100.0
277.21478	2.4
311.25793	60.8
313.27396	10.7
315.17941	4.5
503.37317	42.5
521.38257	8.4
522.96307	2.3
553.40216	6.8
588.38947	3.7
588.47015	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	587.3253
Annotation	Methyl ganoderate H
Peak:m/z	Relative Intensity
55.05507	1.2
55.32750	0.7
56.96311	0.9
56.96569	12.9
67.05498	2.7
70.49136	1.5
70.49486	1.0
71.95258	1.1
76.64610	0.7
79.05514	1.5
81.03403	0.9
81.07050	2.0
84.96048	1.1
86.09711	0.9
86.32596	0.7
90.70403	0.7
91.05482	1.7
93.07027	1.0
95.04992	1.1
95.08607	1.6
98.97578	2.6
105.07024	1.1
107.08626	0.8
109.10199	1.2
109.88140	0.7
110.97537	1.1
116.98545	1.2
117.07011	0.8
119.08630	1.5
121.10142	1.2
128.98576	1.2
131.00131	1.4
131.08546	0.9
149.01236	1.3
159.11780	0.9
184.07373	2.0
189.05629	1.4
227.06128	1.2
237.08060	0.8
243.09024	0.9
249.04575	0.7
301.14240	1.0
325.14978	1.1
343.15811	1.2
355.15680	0.9
371.19180	0.7
401.19836	0.8
431.25012	0.8
433.24350	1.4
439.25336	1.0
451.25287	3.1
461.27609	1.5
469.26318	2.6
479.28500	2.2
483.31741	1.0
491.28299	2.7
497.29300	4.3
509.29352	9.9
527.30463	53.4
545.31537	100.0
546.32117	3.4
550.32153	2.5
564.33270	0.9
568.33136	18.9
569.32355	1.4
587.32764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14459	0.3
53.03934	0.3
57.03438	0.3
61.02919	0.4
69.03444	1.7
73.02917	0.5
81.03398	0.8
85.02915	2.0
91.05473	0.9
92.06310	0.2
97.02900	1.2
103.05495	0.4
104.06232	0.3
109.02888	0.4
115.04707	0.4
115.05463	4.9
116.06240	0.6
116.92578	0.3
117.07017	1.0
118.07793	1.1
119.04954	0.7
129.06976	0.7
132.05740	0.8
143.03786	0.4
143.04933	12.6
144.05713	33.4
145.06450	0.9
146.07300	0.5
147.04427	2.3
147.07988	0.3
159.04417	7.7
159.05655	0.5
161.05937	0.3
173.06010	1.4
175.04051	0.7
175.07574	4.1
177.05568	0.3
187.03929	5.7
188.04572	0.3
189.05457	2.3
191.07051	0.6
202.06258	21.3
203.07037	100.0
204.07414	0.6
219.06331	0.5
231.08163	0.6
235.07611	0.4
249.09019	0.3
259.07495	0.7
277.08603	0.7
287.07050	0.9
293.07928	0.3
305.08157	0.4
307.09512	0.3
315.06760	0.6
319.09686	0.4
336.61884	0.3
347.09262	0.7
363.08786	0.4
365.10117	0.6
375.08603	1.0
377.10464	0.4
381.11823	10.5
383.74039	0.3
393.09741	2.4
396.65634	0.3
407.11264	4.6
409.12906	2.5
425.06470	0.5
425.12357	11.0
534.87836	0.3
569.15887	0.3
587.17590	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.3
53.03938	0.8
55.01876	1.2
55.33023	0.3
57.03436	2.2
61.02927	3.6
65.03938	1.4
67.05511	0.4
69.03430	7.0
69.07062	0.4
71.04994	1.0
71.53789	0.4
73.02915	1.1
76.59153	0.3
79.05480	0.6
81.03427	2.4
81.07048	1.1
83.65387	0.3
85.02908	40.2
87.04465	1.0
91.03980	2.5
91.05485	100.0
92.05817	0.5
93.07075	0.4
97.02896	12.0
97.06497	0.8
99.04449	1.5
101.02384	0.4
105.07067	0.4
107.08611	0.3
109.02866	3.4
115.03880	0.4
121.06557	0.3
121.10121	0.4
127.03920	10.2
137.02362	0.6
145.04967	20.5
153.12872	0.3
163.04033	0.4
163.06029	6.5
163.07397	0.3
167.01933	0.3
167.03432	0.9
173.02306	0.3
177.05521	0.5
185.11382	0.3
189.05498	0.4
215.07124	0.5
231.30931	0.3
245.08118	7.7
259.09805	0.6
586.29272	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01863	0.4
55.05515	0.6
56.96555	0.2
57.03431	0.8
61.02930	1.0
61.75759	0.2
65.03933	2.1
67.05521	0.2
69.03427	2.4
69.07071	0.3
69.35899	0.9
69.36324	0.7
70.06593	0.5
71.01346	0.2
71.05000	0.5
73.02918	0.6
75.09546	0.2
77.77779	0.2
77.78260	0.2
81.03412	0.9
81.07072	0.3
83.08634	0.3
85.02905	13.2
85.67556	0.2
87.04465	0.4
91.05481	100.0
93.06992	0.2
95.04958	0.2
95.08574	0.2
97.02892	10.0
97.06531	0.2
99.04476	0.4
100.11296	0.4
103.03949	0.2
105.07059	0.3
109.02877	1.2
115.03930	1.1
117.07026	0.6
119.08564	0.4
127.03905	3.0
128.06230	0.3
129.07005	0.5
133.06488	0.5
133.10187	0.3
136.07631	0.3
137.02345	0.6
143.08595	0.4
145.02888	0.3
145.04958	4.7
145.06299	0.4
146.97966	0.2
157.06483	0.4
161.04497	0.5
162.06436	0.2
162.61693	0.2
163.03880	0.6
163.06006	1.2
167.03400	1.5
171.08073	0.6
181.05078	0.3
189.05508	0.3
217.08601	0.6
227.07106	0.8
228.64191	0.2
235.09641	0.6
237.03166	0.2
245.08069	5.4
245.10440	0.4
253.10684	0.3
259.09796	0.3
359.73358	0.2
403.71014	0.3
442.10553	0.3
476.26007	0.2
576.89594	0.5
577.39636	0.4
585.40094	2.2
585.90234	8.0
586.29254	1.6
586.40436	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	585.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	21.3
67.05511	35.4
69.07059	22.7
71.04992	9.1
79.05484	33.9
81.07051	56.7
82.51337	6.5
83.08607	8.7
85.06532	6.7
91.05473	52.3
93.07040	75.1
95.04957	19.8
95.08607	60.5
97.06522	6.7
99.57317	6.8
101.04335	6.9
105.07036	71.9
107.08586	67.3
109.06512	14.9
109.10147	52.5
117.07034	20.9
119.08575	84.5
121.06483	7.9
121.10147	100.0
123.11697	17.9
128.06175	8.4
129.06998	16.7
130.07765	13.4
131.08562	48.3
133.10130	48.2
135.08044	40.7
135.11708	36.0
137.09619	23.2
137.75464	10.4
142.07803	20.5
143.08568	32.1
145.10132	75.2
147.11700	29.8
149.09714	10.2
149.13295	9.1
155.08542	15.7
156.09340	10.1
157.10126	58.9
159.11710	42.8
161.09583	11.9
163.11366	15.0
169.10149	23.9
171.11649	33.1
173.13303	39.6
175.14879	34.0
177.12756	9.6
181.10254	8.1
183.11714	27.6
185.13257	22.0
187.14868	17.9
189.12733	10.5
193.10101	7.7
195.11688	12.0
197.13240	15.3
199.14761	22.2
201.12628	7.8
201.16322	8.6
209.13297	15.3
211.14758	11.3
213.16446	8.3
218.38431	7.4
223.14835	8.1
242.20143	8.0
257.18985	38.6
283.20398	8.1
361.24991	7.2
567.41644	11.4
585.42151	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	585.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88829	0.3
55.05509	0.6
57.03423	0.4
67.05499	1.0
69.03433	0.4
69.07076	0.5
71.04983	0.3
71.55943	0.3
79.05496	0.8
81.03421	0.8
81.07040	0.7
83.04970	0.3
83.08627	0.4
85.02907	0.6
91.05464	0.6
93.07049	0.8
95.04967	0.9
95.08591	0.7
97.02891	0.4
97.06512	0.4
97.10159	0.3
105.07066	0.7
107.08624	0.6
109.02896	0.7
109.06467	0.3
109.10148	0.4
117.07046	0.4
119.08598	0.7
121.10140	0.6
121.18075	0.3
123.97986	0.3
127.03913	0.3
129.03426	0.4
129.07028	0.4
131.08571	0.4
137.05931	0.3
143.08542	0.3
145.10135	0.3
147.04474	0.3
163.11116	0.3
171.53223	0.2
173.05956	0.3
177.05496	0.4
185.04237	0.8
185.05832	0.2
189.05539	1.4
199.11020	0.2
211.13281	0.3
215.06982	0.4
259.07773	0.3
272.72449	0.3
273.14969	0.3
295.15231	0.3
301.14529	0.8
319.15601	0.3
323.16644	0.4
331.10010	1.5
345.11575	0.3
423.23602	2.6
457.20557	4.3
471.22037	3.1
493.26291	0.4
497.23175	0.8
499.25168	0.4
567.29468	1.2
585.28821	100.0
586.28961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.5
54.31114	5.1
55.05506	46.8
56.47454	4.6
57.03422	20.1
57.07060	19.7
67.05499	52.7
69.07063	51.2
70.06584	5.0
71.08633	12.6
71.56052	4.6
78.87095	4.9
79.05494	43.9
81.03419	57.0
81.07058	82.1
83.04966	19.5
83.08607	48.6
85.02904	15.7
87.04435	5.6
88.07574	6.4
89.06026	36.1
91.05489	62.4
93.07037	56.2
95.04948	26.7
95.08601	50.9
97.06522	16.1
97.10181	24.3
105.07027	65.9
105.32374	4.9
107.04915	9.3
107.08582	42.8
109.06510	8.5
109.10156	26.6
111.08073	9.4
111.11676	5.1
117.07014	14.7
119.08567	68.0
121.10152	45.6
123.08038	15.9
125.09670	5.7
129.06996	17.6
130.07866	5.6
131.08585	35.2
133.08630	27.8
133.10135	49.2
135.11691	14.5
137.09586	9.0
138.10388	6.4
139.11189	8.1
142.07788	11.0
143.08588	25.2
144.09343	6.7
145.10126	49.2
147.08034	9.7
147.11719	27.3
149.09579	11.5
149.13235	6.3
151.07516	7.8
157.10112	43.1
158.10945	5.3
159.08116	6.8
159.11652	24.1
160.08795	16.5
165.09149	10.2
169.10130	17.4
171.11664	25.4
173.13280	11.5
175.11211	15.9
177.11208	13.6
181.10136	8.1
183.11635	18.0
185.13208	7.0
187.14795	7.4
193.10509	9.0
193.12239	50.6
195.11679	11.0
197.13303	11.2
199.14758	8.7
209.13246	10.6
211.13252	68.7
211.14967	11.4
221.13348	9.2
221.15321	22.4
223.14742	6.4
237.16431	8.5
267.15842	27.6
285.16904	88.0
287.18289	5.3
311.29279	8.0
339.28943	100.0
371.22711	19.7
490.79700	6.0
491.36716	6.9
492.35843	9.1
504.35779	13.0
531.40265	15.9
549.41467	98.7
566.41010	7.1
584.41797	38.7
584.56006	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
63.23079	0.3
67.05500	0.4
69.03432	0.4
69.07062	0.3
69.31628	2.6
69.56413	0.3
79.05499	0.4
81.03407	0.5
81.07056	0.9
83.08634	0.4
85.02904	0.7
91.05502	0.7
93.07046	0.6
95.04974	0.4
95.08610	0.8
97.06532	0.3
105.07030	1.1
105.72241	0.3
107.08612	0.6
109.02895	0.7
109.10196	0.4
119.08640	0.6
121.10159	0.3
131.08585	0.3
132.57726	0.3
133.10097	0.4
135.11697	0.3
137.05872	0.4
145.10120	0.5
147.11743	0.5
159.11717	0.4
159.92398	0.4
161.06023	0.4
175.14886	0.3
185.04332	0.3
189.05434	0.7
203.05357	0.8
203.18112	0.3
215.17969	0.4
255.20996	0.3
259.08054	0.9
263.56003	0.3
301.14456	0.7
309.16742	0.4
331.10007	0.8
349.19785	0.7
391.33572	0.3
405.22437	0.4
423.23502	2.3
457.20529	3.7
471.21976	2.6
497.23730	0.7
567.29779	0.8
585.28839	100.0
586.29089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.2
55.01879	4.9
55.05514	32.7
57.03431	6.9
57.07077	20.9
59.70395	3.1
60.22626	3.6
65.03938	7.4
67.05511	47.6
69.03423	6.9
69.07069	36.9
71.08640	4.6
79.05497	37.5
80.06258	3.4
81.03416	33.6
81.07064	60.2
83.04974	12.4
83.08625	37.3
85.02892	10.6
85.06517	8.4
89.06032	30.0
91.05480	56.8
93.07051	67.2
95.04987	28.5
95.08616	56.7
97.06532	11.9
97.10180	8.5
98.20756	9.1
105.07043	84.4
107.04945	3.5
107.08602	53.9
108.08907	5.1
109.06526	13.5
109.10159	36.5
111.08060	8.7
115.05461	5.9
117.07036	24.7
118.77063	3.2
119.08595	100.0
120.08854	5.2
121.06522	7.3
121.10152	43.8
123.08063	18.7
123.11711	4.8
128.06224	12.1
128.44382	3.6
129.07007	20.0
131.08597	42.5
133.08583	13.6
133.10149	45.4
134.10878	4.4
135.08076	12.5
135.11687	23.0
136.12073	3.3
137.09590	16.6
139.11183	5.0
141.06993	11.1
141.82556	3.6
142.07782	22.2
143.08572	36.8
144.09276	8.4
145.06473	9.6
145.10130	65.8
146.10707	5.1
147.08064	15.0
147.11684	21.0
149.09598	11.7
149.13284	6.6
151.07549	8.4
154.07857	3.6
155.08562	19.4
156.09370	18.3
157.10133	60.1
158.10835	6.6
159.08047	8.2
159.11723	35.1
160.08844	43.2
160.12183	4.1
161.09637	9.2
161.13295	6.8
163.11185	11.3
165.06924	4.6
165.09088	29.5
166.09468	3.8
167.08498	5.7
169.10167	22.7
170.10823	8.5
171.11688	26.3
172.12393	8.3
173.09651	5.8
173.13306	21.7
175.11200	19.3
175.14847	12.4
177.11205	5.1
179.08560	10.2
180.09288	4.1
181.10162	9.7
181.12207	14.6
182.10820	8.2
183.11685	21.3
184.12131	7.2
185.09567	4.3
185.13258	13.0
187.14821	5.9
189.12741	5.8
190.13358	5.3
193.10298	7.9
193.12260	30.6
194.10837	5.6
195.11681	18.3
195.13535	4.7
196.12436	6.3
197.13237	24.8
198.13837	5.1
199.14865	6.0
200.15475	4.5
201.12782	4.7
203.14384	14.8
205.10042	4.4
207.11670	10.6
207.13652	3.9
208.12363	4.9
208.14505	4.2
209.13232	15.6
210.13760	5.7
211.13171	28.6
211.14906	11.1
213.12737	5.1
219.11705	4.2
221.13367	6.6
221.15353	53.0
222.15613	5.7
223.14841	14.6
225.16325	6.6
229.15884	5.5
233.13123	5.8
234.16159	9.2
235.14700	8.0
237.12698	5.0
237.16388	3.8
239.14355	5.5
247.16985	9.4
248.15254	4.1
251.18085	4.1
253.15831	3.7
259.14838	4.8
263.17981	4.3
267.15930	13.8
275.18073	3.7
285.16876	36.7
286.19345	14.1
299.20093	10.3
311.14911	5.1
311.19907	4.1
311.29263	4.1
312.20844	9.0
312.24313	3.6
325.21552	12.2
339.28912	79.8
352.23962	55.3
365.24866	11.6
371.22714	12.8
398.28168	7.0
412.29764	13.4
425.30389	4.8
438.31223	13.8
489.33688	4.8
491.35342	12.6
492.35309	27.5
504.36011	94.8
531.40430	12.4
549.41595	68.7
566.40869	7.4
584.32751	5.8
584.41827	77.6
584.56232	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	584.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.05516	11.5
57.07072	13.0
59.04987	5.7
63.87940	1.8
66.85017	1.6
67.05498	16.8
69.03429	6.0
69.07073	12.2
70.05387	9.4
70.06593	2.8
71.08629	2.3
79.05495	15.7
81.03415	2.5
81.04816	2.1
81.07055	25.4
83.04986	6.7
83.08610	7.5
85.06519	4.9
85.10153	2.2
89.06042	13.1
91.05476	34.4
93.07045	44.9
95.04948	9.2
95.08614	29.4
97.06522	4.2
97.10149	2.2
103.05408	3.3
105.07029	54.5
107.04932	2.6
107.08597	36.5
108.08813	2.0
109.06512	8.3
109.10156	16.7
111.08105	5.2
115.05457	2.8
117.07005	15.3
119.08578	78.9
120.09448	4.2
121.06539	6.2
121.10145	28.3
123.08074	14.5
123.11675	4.2
125.05985	4.3
128.06212	9.4
129.07004	16.6
130.07825	5.1
131.08569	38.1
132.09305	3.4
133.06511	2.9
133.08611	8.9
133.10123	36.8
135.08063	15.4
135.11687	14.2
137.09653	13.1
139.11206	2.0
141.06984	7.4
142.07777	14.5
143.08562	32.0
144.09332	9.1
145.10126	51.7
146.10550	3.0
147.08058	21.1
147.11687	13.6
149.09621	8.1
151.07529	8.4
153.06985	1.9
155.08551	11.1
156.09320	14.3
157.10133	45.8
158.10786	7.4
159.08067	6.1
159.11674	28.0
160.12315	2.4
161.09608	7.8
161.13252	7.6
163.11205	8.2
165.07037	4.5
165.09114	28.3
167.08580	5.0
168.09302	6.3
169.10153	17.7
170.10867	7.3
171.11682	24.4
172.12427	6.7
173.09587	5.4
173.13258	17.2
174.13673	2.5
175.11119	13.2
175.14851	11.0
177.11201	3.1
177.12674	4.3
179.08569	5.2
179.10838	2.0
180.09190	2.8
181.10136	12.2
181.12216	8.4
182.10857	6.6
183.11716	21.1
184.12419	4.6
185.09619	4.9
185.13266	21.3
186.13766	2.5
187.11252	4.2
187.14789	7.4
189.12750	5.9
190.13560	4.4
191.14265	3.9
193.10158	6.8
193.12265	7.8
194.10941	3.1
195.11687	13.8
196.12418	4.9
197.13254	16.5
198.13840	2.8
199.11235	5.2
199.14877	6.6
201.12732	4.9
201.16353	4.7
203.14302	16.5
207.11668	9.6
207.13777	5.7
208.12465	2.4
208.14536	5.5
209.13336	13.3
209.15048	2.8
210.13918	2.5
211.11198	3.0
211.14812	10.2
217.15854	2.3
219.13826	4.9
220.12309	2.9
221.13245	6.8
221.15341	60.3
222.13866	3.2
222.15739	8.3
223.14792	11.9
225.12738	2.2
225.16313	6.1
229.88316	2.2
233.13226	5.3
233.15349	3.0
234.16078	7.8
235.14804	7.9
236.15614	2.6
237.12849	3.8
237.16309	5.8
238.17307	2.3
239.17912	3.3
241.19398	2.3
247.14746	2.6
247.16911	10.7
249.16373	4.7
251.18027	2.3
253.15903	2.3
255.17511	2.1
259.17139	2.2
261.16238	3.4
263.18015	4.2
265.19443	2.4
271.17032	4.6
271.20477	2.8
275.18069	2.9
281.18939	3.9
285.18491	2.4
286.19171	2.7
287.20004	3.0
295.20627	2.3
296.21530	2.8
297.22397	3.7
299.20035	9.0
300.28867	2.4
309.22284	2.6
311.20114	3.4
311.29483	6.0
312.20953	3.0
312.24466	2.2
325.21622	10.4
337.21439	5.8
339.28781	3.0
352.23969	68.6
365.24738	14.2
371.22763	7.7
391.25912	2.9
397.27582	2.8
398.28122	3.4
399.28986	2.4
404.30740	4.9
412.29919	12.4
425.30487	4.3
426.06946	2.5
438.31247	14.9
491.35141	9.1
492.35556	8.3
504.35992	100.0
548.43164	2.2
566.41107	3.5
584.42029	34.7
584.55792	10.3
585.37878	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	584.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.8
55.63901	1.1
57.03418	2.4
61.02919	5.2
65.03928	3.6
67.05503	9.3
69.03429	9.5
71.53310	1.6
73.02893	3.0
79.05490	7.0
81.03400	3.9
81.07030	1.3
84.04495	1.9
85.02908	44.5
89.03922	2.6
91.03976	2.8
91.05481	45.2
95.04973	13.6
95.08582	1.0
95.68202	1.1
97.02908	10.2
99.00804	2.0
99.04449	2.2
103.03912	1.5
103.05414	1.8
105.03371	2.3
107.04958	2.2
109.02859	4.0
109.06522	1.8
114.71394	1.1
117.03355	1.9
118.04115	1.4
118.06532	1.3
119.04945	65.5
123.04422	11.6
127.03924	11.0
129.03342	4.4
131.04900	1.2
133.06494	4.2
135.04405	3.3
137.06010	2.3
145.02792	1.6
145.04953	22.6
146.06007	3.2
147.04413	100.0
148.04698	1.2
149.05960	3.8
161.05957	6.5
163.03931	14.2
163.05997	13.9
164.04222	1.8
165.05473	12.2
175.03906	61.9
177.05469	3.6
179.06984	10.0
189.05472	50.1
193.04982	26.3
207.06535	74.1
211.06113	1.2
225.07588	71.6
243.08592	1.6
274.11841	1.9
290.56781	1.1
301.47058	1.2
325.10880	2.7
337.09650	1.2
355.10571	1.1
513.40912	1.4
548.87903	1.4
584.19611	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01837	1.0
55.05505	5.1
57.07074	5.6
59.04960	3.0
60.03411	0.6
65.03915	1.1
67.05512	10.9
69.03424	6.6
69.07070	5.7
71.04977	0.7
71.22805	1.7
79.05492	9.7
81.03397	1.0
81.07053	16.4
83.04931	2.2
83.08595	2.7
85.06507	1.8
91.05479	16.5
93.07040	27.1
93.12870	0.7
95.04951	4.5
95.07990	0.8
95.08604	15.7
97.06507	3.5
97.10126	1.0
103.05444	1.8
105.04513	1.0
105.07031	31.1
107.04932	1.3
107.08597	18.9
108.69491	0.7
109.06521	4.9
109.09463	1.2
109.10146	12.6
111.08120	4.7
113.09643	0.8
115.05413	2.5
117.07019	5.4
119.08582	35.3
121.06535	3.4
121.10138	20.7
122.07237	1.6
123.08069	12.0
123.11675	2.1
125.05978	1.9
125.09605	1.6
128.06264	3.9
129.07043	4.3
130.07721	3.3
131.08562	14.8
133.06479	1.6
133.10132	22.4
135.08067	10.0
135.11673	12.3
137.09608	16.5
139.07539	1.1
139.11174	1.3
141.06952	2.4
142.07764	6.9
143.08543	13.2
144.09312	2.9
145.10118	24.7
147.08044	18.3
147.11679	7.4
149.09593	3.5
151.07529	7.5
151.11195	1.4
153.06985	0.7
153.09062	1.1
154.07758	1.6
155.08557	5.2
156.09354	4.4
157.08983	1.2
157.10141	16.0
158.10858	2.1
159.08009	2.9
159.11688	14.5
161.09657	3.7
161.13252	6.0
163.11148	5.4
163.14774	0.7
165.09111	41.9
166.07782	0.9
167.08592	4.2
168.09259	2.2
168.76443	0.7
169.10144	7.9
170.10942	3.6
171.11691	10.2
172.12506	0.9
173.09592	2.1
173.13264	6.2
174.10362	0.9
175.11201	2.9
175.14818	5.5
177.09113	1.0
179.08536	3.1
179.10573	1.1
180.09409	1.4
181.10164	4.4
181.12160	4.3
182.10852	2.7
183.11728	7.4
184.12373	0.8
185.13272	5.7
187.11205	1.8
187.14819	6.8
189.12671	2.7
191.14240	1.0
193.10127	3.8
194.10909	2.0
195.11659	6.0
195.13588	1.3
196.12442	1.8
197.09921	0.8
197.11639	1.7
197.13246	7.6
199.11194	1.6
199.14857	3.4
201.12666	1.7
201.16335	1.9
203.14317	16.6
205.10080	0.9
205.15913	1.1
206.10864	1.2
207.11658	4.6
207.13745	3.8
208.12491	1.8
209.13263	7.0
209.15210	1.2
211.11243	0.8
211.14868	4.1
213.12701	1.2
213.16379	1.6
215.14355	1.1
217.15828	0.9
219.11682	1.0
221.13411	5.1
221.15352	100.0
223.14783	4.6
225.16393	2.1
227.14281	1.2
231.11757	1.0
234.14053	0.9
235.14796	3.7
237.16412	2.4
239.14293	1.3
239.17892	1.7
247.14804	0.9
247.16899	1.3
249.16275	1.4
251.17891	1.6
253.15825	1.1
259.14682	1.2
260.15341	1.0
261.16409	1.2
263.17938	1.4
265.19650	2.6
267.21072	1.0
271.17017	1.4
271.20160	0.9
275.17874	1.8
277.19461	1.3
283.20694	1.1
287.20099	2.1
289.19495	1.0
291.20810	1.0
293.18854	1.1
297.22250	1.1
299.20090	2.5
313.21945	1.1
325.21912	1.1
352.23892	2.5
357.25797	1.0
365.24716	2.5
375.26810	1.2
378.25293	0.9
391.26642	0.8
397.27383	1.5
411.28793	2.0
437.30710	1.8
473.34161	6.7
491.35297	9.8
503.35114	4.8
547.39343	1.0
565.40387	9.9
583.41309	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65366	1.1
51.02366	1.5
53.03940	4.6
55.01858	1.1
55.05510	13.6
57.07083	6.0
59.05002	2.3
62.74454	1.3
63.75374	1.5
65.03945	3.5
67.05505	19.1
67.37519	1.1
69.03426	4.8
69.07076	14.7
70.71229	1.8
70.71566	2.0
71.43490	1.3
77.03920	1.8
78.55183	1.6
79.05498	20.0
81.07054	30.1
83.04967	5.3
83.08614	9.4
85.06548	3.5
91.05483	38.4
93.07049	45.8
93.07640	2.2
95.04984	7.6
95.08054	2.4
95.08610	27.6
97.06525	5.8
97.10158	1.7
103.05445	3.1
105.07030	57.2
107.08601	43.2
109.06529	8.3
109.10168	17.6
109.89961	1.2
111.08083	1.9
113.09628	1.5
115.05470	4.6
117.07023	13.1
119.08585	63.6
121.06519	4.3
121.10141	48.2
123.08076	13.0
123.11710	5.6
125.05975	3.0
125.09672	2.5
128.06224	9.7
129.06995	15.6
130.07814	5.0
131.08578	27.1
133.06506	3.7
133.10126	34.9
135.08069	9.7
135.11687	13.8
137.09604	6.4
139.07591	1.4
139.11154	2.3
141.07008	7.2
142.07774	18.7
143.08571	30.6
144.09373	5.0
145.10124	42.6
146.10886	1.5
147.08049	10.6
147.11697	14.2
149.09619	8.7
149.13275	3.7
151.07552	10.9
151.11215	1.6
153.07004	3.9
154.07816	2.8
155.08554	13.9
156.09341	17.4
157.10130	43.5
158.10973	6.1
159.08078	4.8
159.11694	21.2
161.09630	6.7
161.13268	6.6
163.07289	1.4
163.11206	6.0
165.07007	4.8
165.09081	11.9
166.07774	2.2
167.08586	9.6
167.10684	22.4
168.09355	5.6
169.10123	26.0
170.10947	6.5
171.07941	1.4
171.11697	27.6
173.09698	4.8
173.13268	21.5
175.11229	3.7
175.14833	7.3
177.09210	2.0
177.12782	1.3
178.07771	1.7
179.08603	10.1
180.09354	5.9
181.10127	13.3
181.12132	6.3
182.10904	8.0
183.11708	21.4
184.12524	5.1
185.09630	2.1
185.13261	13.2
187.11279	2.8
187.14886	6.4
189.12793	4.6
191.14336	7.6
192.09354	3.1
193.10115	11.7
194.10930	9.9
195.11702	19.5
196.12453	5.2
197.09680	1.5
197.13268	17.6
198.14030	1.9
199.11232	2.0
199.14796	14.3
200.11870	1.3
201.12704	2.5
201.16415	2.8
203.14281	7.3
205.10153	3.6
205.15839	1.6
206.10924	7.4
207.11731	18.9
207.13811	6.6
208.12521	5.2
209.13283	23.0
209.15233	1.1
210.14067	3.2
211.11299	1.9
211.14830	12.0
213.12767	2.7
213.16466	2.8
215.14334	2.6
216.09525	1.6
217.15927	5.5
218.10953	3.6
219.11731	5.7
219.17438	2.8
220.12578	4.6
221.13284	9.7
221.15422	26.2
222.14021	3.9
223.14813	14.3
224.15645	2.3
225.12941	2.3
225.16408	5.4
227.14337	2.2
229.16032	1.4
230.10886	3.0
231.11714	5.0
231.13853	1.7
232.12552	2.9
233.13246	9.6
233.15434	8.3
234.14124	2.7
235.14792	9.6
236.15515	2.8
237.12865	2.5
237.16415	8.0
239.14351	2.2
239.17989	3.5
243.11784	2.3
244.12604	3.1
245.13324	7.1
246.14098	4.6
247.14842	9.6
247.16998	2.7
248.15620	3.1
249.16409	7.3
250.17180	1.6
251.17987	6.8
253.19530	1.4
257.13284	2.6
257.19067	5.3
258.14005	2.2
259.14865	4.9
260.15656	3.1
261.16360	6.3
262.17245	2.4
263.17999	5.6
265.19485	8.6
267.17535	2.2
269.18991	5.9
270.14120	1.7
271.14883	2.8
271.20566	2.5
273.16336	4.7
274.17209	1.8
275.17886	8.4
277.19556	4.4
279.21191	2.5
281.19052	3.1
283.20575	10.3
284.15585	1.4
285.16177	2.0
287.20358	2.2
289.16553	1.5
289.19656	4.0
293.19055	2.0
295.20627	3.9
297.22211	3.0
301.19434	2.4
303.21008	2.1
305.19009	1.6
307.20587	1.5
315.21185	2.0
317.22519	1.5
327.21005	2.7
329.22714	3.1
331.24286	5.4
333.21866	2.4
335.23688	3.3
341.22748	1.6
343.24295	1.8
347.23700	2.3
349.25089	6.0
361.25308	2.6
365.25351	1.6
375.26813	4.6
377.24783	1.9
403.29941	6.1
427.30017	2.1
491.35056	2.9
503.35419	1.9
509.33942	2.1
512.01428	1.6
547.39429	4.0
565.40387	21.2
583.41479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22750	2.3
53.03936	6.8
55.01844	4.2
55.05510	28.8
56.96549	2.5
57.03437	10.7
59.04996	4.8
59.20675	2.1
65.03955	2.2
67.05508	90.3
69.03426	20.4
69.07058	6.4
70.00509	10.4
71.01355	4.1
71.04977	8.2
73.02911	1.9
79.05490	22.0
80.44790	2.0
81.03425	84.4
81.07063	29.4
83.04991	14.9
83.08623	22.9
85.02901	22.8
91.05492	26.6
93.07041	16.6
95.04972	25.3
95.08617	12.1
97.02888	9.9
97.06519	6.2
97.10162	11.2
99.04442	3.4
105.07038	16.0
107.04941	9.1
107.08605	14.2
109.02879	11.6
109.06521	4.1
109.10163	62.2
111.04462	17.7
111.08060	8.7
112.15822	2.0
115.04005	2.2
117.07059	5.4
119.08596	19.5
121.06522	3.7
121.10166	10.4
123.04440	3.2
123.08072	2.5
125.09639	9.4
127.03951	12.0
129.06999	8.6
131.04964	3.1
131.08542	8.3
133.06488	2.8
133.10129	8.9
135.08034	3.6
135.11661	2.9
137.09576	4.6
145.10118	5.9
147.04398	2.2
147.11711	12.0
149.09633	5.0
155.00833	2.3
155.10675	5.6
157.10170	10.6
161.06007	2.3
163.11188	2.9
165.12665	3.5
171.11708	3.3
173.11787	15.1
175.11212	8.9
189.05519	10.7
189.11246	4.9
193.12265	24.2
211.13297	34.5
217.12233	2.8
227.12784	7.7
229.14395	23.4
235.13176	2.8
267.15948	9.8
277.14285	2.6
283.15082	2.4
285.17035	4.6
288.85086	2.5
299.14972	8.3
301.14236	5.6
309.16986	2.2
337.16541	3.2
351.18167	3.5
355.17813	11.0
373.18454	5.7
403.24469	2.3
411.20236	4.5
421.25873	10.4
439.26932	25.1
443.46820	2.2
463.26965	2.0
505.28186	12.1
529.27991	3.1
535.27832	2.8
542.28644	3.4
547.29120	4.4
551.13129	4.2
565.29785	12.7
583.16614	3.9
583.31030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25471	1.2
53.03949	9.3
55.01863	5.7
55.05268	2.1
55.05516	22.5
57.03443	9.1
57.07065	1.4
59.04993	2.4
60.86950	1.3
65.03953	4.0
67.05506	90.5
67.79179	1.3
69.03434	20.0
69.07072	10.8
71.01347	1.4
71.04996	7.5
71.28226	1.2
71.55125	2.3
79.05491	20.1
81.03421	81.6
81.07055	25.8
81.07531	1.8
81.66708	1.2
83.04980	19.9
83.08620	17.9
85.02909	22.2
85.06546	3.7
87.05235	1.4
91.05476	29.0
93.03371	1.5
93.07045	17.7
95.04973	23.4
95.08605	9.4
97.02911	14.6
97.06528	15.2
97.10170	8.8
98.06871	2.9
99.04461	3.6
99.44411	1.3
103.05474	2.8
105.07023	14.6
107.04951	6.6
107.08586	11.4
109.02881	16.2
109.06509	3.0
109.10159	62.4
111.04443	14.6
111.08138	7.8
113.06084	1.9
115.05492	1.4
117.07034	5.5
119.04980	1.5
119.08587	19.1
121.06485	3.8
121.10153	8.7
123.04407	2.0
123.08128	1.8
123.11767	2.2
125.09650	8.5
127.03927	11.1
129.05502	1.9
129.07011	8.3
131.04977	2.3
131.08580	7.5
133.06497	2.1
133.10165	8.1
137.06062	1.8
137.09636	3.7
142.07803	2.6
143.08554	2.8
144.96315	1.3
145.10165	3.4
147.04460	3.0
147.08119	2.9
147.11702	8.7
149.06020	1.5
149.09656	4.3
153.12759	1.5
155.10735	4.6
157.10159	7.8
163.11247	4.3
165.12799	2.1
173.11719	12.7
175.07594	1.8
175.11165	7.0
181.12286	2.0
183.06587	2.0
187.11119	1.6
189.05637	1.8
189.11250	3.2
191.10719	1.6
193.12238	25.5
209.12013	1.6
211.13289	41.1
211.15262	2.2
223.13565	1.5
227.12898	5.6
229.14354	20.4
235.13368	1.6
267.15851	10.1
273.14972	1.4
285.17044	3.9
299.14990	8.1
301.14426	5.0
309.17041	2.3
319.15616	3.0
329.21075	1.8
331.17633	1.7
337.16626	2.6
355.17767	8.8
356.15958	5.4
373.18649	2.9
374.16989	2.3
393.19516	1.6
411.20203	3.4
421.25919	11.9
439.26965	16.7
505.27936	5.0
547.29510	4.0
548.22351	1.5
565.30035	13.8
566.23431	2.1
583.31226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	20.5
57.03440	9.5
57.07081	15.5
67.05516	22.3
69.04243	2.7
69.06797	2.5
69.07077	30.2
70.74883	6.0
71.08633	8.7
78.78528	2.6
79.05498	21.7
81.07061	34.2
83.04979	3.4
83.08629	21.7
85.10194	3.1
87.04474	2.8
91.05483	12.5
93.07050	32.7
95.04960	9.4
95.08614	42.2
97.06527	7.3
97.10199	5.6
99.04460	3.3
101.09075	2.8
105.07064	13.8
107.04951	4.8
107.08577	24.7
109.10168	12.6
110.21321	2.9
111.11758	3.3
117.07008	6.8
119.04910	3.8
119.08607	18.4
121.06525	2.6
121.10175	16.2
123.11660	4.3
131.08559	7.7
133.10153	7.7
135.08089	6.2
135.11688	37.4
143.08603	6.5
145.10156	24.6
147.11665	2.9
156.09338	2.7
157.10066	6.7
159.11682	5.1
163.11160	44.0
163.14822	2.7
169.10139	3.6
171.11691	5.5
179.08397	3.1
181.12234	8.2
227.12781	64.3
283.15387	71.8
313.27325	40.9
339.28940	100.0
352.23996	7.1
444.30075	8.4
445.31039	3.5
521.38409	41.5
530.63330	2.7
547.39954	62.1
582.40723	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	582.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.05515	9.3
55.77679	1.5
56.68213	1.7
57.07069	5.9
59.04997	3.0
67.05504	14.2
69.03425	4.8
69.07077	8.7
69.96723	8.3
76.87070	1.6
79.05492	14.8
81.07063	21.6
83.04976	4.3
83.08606	4.9
85.06545	4.1
91.05482	31.1
92.26711	1.6
93.07045	28.7
95.04977	44.4
95.08614	14.5
97.06535	1.9
98.20850	2.0
103.05460	2.7
105.07031	54.2
106.04142	1.9
107.08593	32.3
109.06519	7.7
109.10162	14.3
115.05429	6.0
117.07022	17.7
119.04906	2.0
119.08591	55.2
120.09367	2.4
121.06522	6.6
121.10157	28.7
122.07348	2.9
123.08084	11.6
123.11718	7.4
128.06227	13.3
129.07021	15.7
130.07777	6.6
131.08583	33.8
132.09311	4.0
133.06511	5.0
133.07448	1.9
133.10143	24.9
134.07309	2.0
135.08058	16.3
135.11693	5.8
137.09642	4.0
138.10391	2.9
141.07028	9.4
142.07808	16.2
143.08571	49.9
143.09708	2.5
144.09320	8.8
145.06506	5.4
145.10132	50.9
146.07280	2.1
147.08029	9.7
147.11691	11.8
148.08875	2.7
149.09630	8.1
151.11133	2.1
153.07001	3.8
154.07776	3.0
155.08539	19.2
156.09351	16.8
157.10135	46.9
158.10899	10.8
159.08070	11.2
159.11678	20.4
161.09621	16.6
161.13225	3.9
163.11038	1.9
165.07002	9.3
166.07849	3.4
166.83943	1.5
167.08597	9.9
167.10715	7.7
168.09319	8.1
169.10117	26.9
170.10941	7.1
171.07970	3.4
171.11693	28.8
172.08829	3.4
173.09650	12.7
173.13243	11.7
174.10391	2.0
175.11214	7.0
175.14839	2.5
177.09210	2.3
177.12683	1.9
179.08604	10.3
180.09358	7.7
181.10109	22.2
182.10898	11.5
183.08096	2.2
183.11678	29.7
184.12456	3.1
185.09612	9.4
185.13234	11.2
186.10495	2.1
187.11159	9.0
187.14848	4.8
188.12021	5.0
189.09131	5.4
189.12703	8.7
191.14273	9.1
192.09363	6.8
193.10153	13.3
194.10963	9.8
195.08032	2.0
195.11697	25.9
196.12404	5.9
197.09637	7.6
197.13298	20.4
198.14000	3.9
199.11169	13.1
199.14835	7.3
200.11998	2.8
201.12793	6.1
203.14311	5.2
205.10141	5.6
206.10977	6.7
207.11719	19.7
208.12531	6.8
209.09782	3.8
209.13260	21.8
210.14049	5.3
211.11180	9.3
211.14841	11.9
212.11967	3.5
213.12794	6.4
213.16393	4.0
214.13519	1.9
215.10733	1.7
215.14375	4.6
217.10179	2.7
217.15900	3.9
218.10983	4.5
219.11752	7.1
220.12505	5.7
221.13274	15.8
221.15282	2.7
222.14049	4.1
223.11214	7.4
223.14793	14.3
224.11847	2.0
224.15623	2.2
225.12759	9.4
225.16328	5.2
227.14352	13.0
231.11734	5.0
231.13803	2.4
232.12471	4.8
233.13281	7.7
233.15385	2.9
234.14049	2.4
235.14853	10.0
236.12009	2.2
236.15562	2.1
237.12740	4.0
237.16402	6.8
239.14380	4.6
239.17964	3.7
241.15797	4.1
243.11719	3.8
244.12476	3.6
245.13324	4.5
246.13994	2.6
247.14799	8.1
248.15694	2.3
249.12711	3.5
249.16429	5.0
251.14381	5.0
251.17990	3.0
253.15854	6.6
255.17467	5.8
257.13162	3.0
257.15488	2.7
259.14792	4.0
261.12769	2.2
261.16360	6.7
263.14368	4.0
265.15970	4.0
271.17032	4.1
273.15887	3.5
273.18549	54.3
275.18002	2.9
276.15186	2.6
277.15863	2.9
279.17557	2.8
281.19211	2.7
286.19318	4.9
287.20163	3.6
289.15894	9.5
289.19037	3.5
291.17651	3.9
291.21042	3.6
293.18945	3.5
299.20166	23.1
300.20749	2.2
305.19156	2.7
307.20480	1.9
309.22137	3.0
311.20123	2.0
315.20993	1.6
319.20514	9.0
325.21692	4.2
333.22040	2.5
334.22928	2.6
337.21640	25.5
339.23599	2.0
345.22162	1.8
350.22345	2.7
351.23169	5.6
352.23981	100.0
353.24612	6.5
357.22263	3.5
363.23239	8.5
365.24863	9.7
376.24054	5.5
406.28534	3.2
429.27802	3.7
434.28247	7.7
443.29489	3.2
444.30289	38.6
445.31100	3.7
490.34390	22.1
521.37811	2.4
526.34100	3.7
539.38403	1.8
549.37543	2.1
564.39691	2.3
567.88849	2.1
582.40656	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01863	1.9
55.05508	8.4
57.07063	5.2
59.04987	1.6
65.03544	1.4
67.05508	16.1
69.03445	7.5
69.07069	11.2
71.05003	1.9
79.05489	17.3
81.03408	2.7
81.07056	21.4
83.04967	4.4
83.08608	5.5
85.06552	3.7
91.05488	25.6
93.07043	33.7
95.04974	11.2
95.08610	22.8
97.06517	4.4
97.10173	2.0
98.20677	3.0
103.05497	1.8
105.04678	1.4
105.07025	43.7
107.05007	1.5
107.08600	27.0
109.06532	7.7
109.10161	13.1
111.08080	3.1
115.05472	2.7
117.07019	8.5
119.08586	42.1
121.06503	5.9
121.10143	37.3
123.08078	13.3
123.11702	7.1
125.54815	1.6
127.10255	1.5
128.06224	4.2
129.06970	8.3
130.07768	2.0
131.08572	19.8
133.06519	3.8
133.10133	39.9
134.43732	1.6
135.08029	9.6
135.11700	10.5
137.05978	1.6
137.09633	7.2
141.07011	5.8
142.07765	12.7
143.08551	15.5
144.09322	5.0
145.06432	2.2
145.10124	23.7
147.08034	12.2
147.11668	8.7
149.09622	13.2
149.13205	1.9
151.07530	13.6
151.11182	3.0
153.06952	1.6
154.07816	2.9
155.08589	10.9
156.09361	9.7
157.10135	23.2
158.10921	5.2
159.08028	7.3
159.11687	17.3
161.09665	4.8
161.13272	5.3
163.11206	7.2
165.06987	4.1
165.09111	15.6
167.08582	5.3
167.10690	27.7
168.09402	4.1
169.10158	13.2
170.10959	3.2
171.07993	1.9
171.11688	15.1
173.09650	6.1
173.13258	18.0
175.11230	2.0
175.14809	8.4
178.07870	2.1
179.08542	5.7
180.09315	3.5
181.10120	5.8
181.12242	4.3
182.10896	5.2
183.11719	11.2
185.09555	2.2
185.13261	9.1
187.11189	4.0
187.14835	10.2
189.12753	5.9
191.08389	1.8
191.14288	3.4
193.10138	8.1
194.10872	4.9
195.11731	11.4
195.13571	2.6
196.12479	4.4
197.09581	2.2
197.13266	8.9
199.11220	3.7
199.14853	6.8
201.12798	2.1
201.16400	1.8
203.14346	7.2
205.10126	3.4
206.10881	4.0
207.11728	8.5
207.13846	7.4
208.12488	4.4
209.13278	11.0
209.15359	3.8
211.11301	1.7
211.14803	7.0
213.12747	2.5
213.16364	3.4
215.14354	1.6
218.10956	3.1
219.11711	6.2
220.12450	4.6
221.13258	9.8
221.15303	43.0
222.13985	1.9
223.11179	3.0
223.14793	7.1
224.15747	1.7
225.12813	3.5
225.16432	2.1
227.14404	2.7
231.11722	4.0
232.12515	2.5
233.13266	6.8
233.15443	12.2
234.14059	3.1
235.14780	4.6
237.12700	1.8
237.16533	3.4
239.14319	3.6
239.18111	2.2
241.19511	2.7
243.11815	1.9
244.12538	2.0
245.13200	2.5
247.14845	4.9
249.16327	3.9
251.14421	2.3
251.18076	2.5
253.15915	2.3
257.13187	2.6
259.14749	4.3
260.15796	1.7
261.16397	3.1
263.17972	4.0
265.19424	1.4
266.17337	1.7
269.13229	1.6
269.18890	1.6
271.14536	1.7
273.16168	2.2
274.17059	1.6
275.17981	3.8
277.19577	1.9
279.17535	2.0
287.20337	3.0
303.21021	1.8
309.18884	1.7
309.42139	1.6
311.20135	2.8
312.20868	7.2
325.19424	2.1
329.22641	2.1
333.22131	2.2
347.23730	1.8
353.26587	6.6
354.26920	3.3
355.27469	2.2
373.25302	4.1
525.33472	3.2
545.37921	2.6
553.40833	3.3
563.38837	16.1
581.30188	8.4
581.39844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01861	7.2
55.05507	16.2
55.71912	3.4
56.96555	8.7
57.03428	9.5
59.04970	4.4
61.02917	9.1
67.05504	18.5
69.03439	20.6
69.07071	19.4
70.06580	10.4
71.04970	17.5
71.56175	5.8
72.08140	4.9
73.02917	6.4
79.05499	28.2
81.03438	18.7
81.07058	100.0
83.04984	6.6
83.08615	9.3
85.02433	7.1
85.02907	72.2
86.03767	3.7
89.03907	9.9
90.31596	3.3
91.05487	34.7
93.07034	59.6
95.04964	13.2
95.08609	56.7
95.43650	3.9
97.02887	31.2
97.06536	14.7
97.10172	4.8
98.97581	5.2
99.08103	6.3
103.05460	37.9
105.07026	58.9
107.04955	11.5
107.08601	60.1
109.02885	14.6
109.06499	10.3
109.10158	50.1
117.03358	8.6
117.06987	5.5
119.04935	9.6
119.07803	6.3
119.08586	76.5
121.06482	11.7
121.10164	19.5
123.04401	4.6
123.08045	6.6
123.11713	22.2
125.09636	11.3
127.03891	25.3
127.11192	33.9
129.90352	4.5
131.00127	4.3
131.04944	19.3
131.08519	4.2
133.06514	11.9
133.10143	36.8
135.04434	16.0
135.08008	4.5
135.11693	96.0
136.07523	4.4
137.05991	17.8
137.09631	37.5
137.13210	5.4
139.11174	4.4
143.10658	25.2
145.02803	18.1
145.04936	21.0
145.10139	7.0
147.04393	20.8
147.11691	41.6
149.05977	26.8
149.09583	4.2
149.13246	10.0
151.07463	4.7
159.04387	13.5
159.11559	4.8
161.05980	5.1
161.13252	21.6
163.03926	58.8
163.06023	9.5
163.14799	7.3
164.04279	6.5
167.07065	31.7
175.14774	5.6
177.05399	22.5
189.05443	7.8
191.06967	4.0
195.06557	26.3
203.17960	83.9
207.06467	5.3
207.13794	8.1
207.15494	4.2
209.08064	7.8
210.14943	4.4
221.19014	77.5
233.08110	4.9
235.09671	4.5
238.98132	3.4
255.01633	3.8
273.07718	4.4
321.09659	7.4
339.10748	7.8
365.16736	5.4
401.16141	8.8
482.37430	4.3
501.16373	6.3
581.19861	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	581.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12686	3.6
53.03955	5.5
55.01870	6.3
55.05514	13.8
57.03440	10.7
61.02927	6.9
62.34529	3.2
65.03933	4.6
67.05500	21.5
69.03432	24.1
69.07060	20.4
70.06583	3.6
71.04988	23.3
71.56065	6.5
73.02917	7.4
79.05501	26.6
81.03419	34.9
81.07059	90.1
83.04971	7.9
83.08614	11.9
85.02906	100.0
85.06544	8.7
89.03919	4.1
91.05483	28.8
93.07050	45.8
95.04958	6.7
95.08614	56.0
97.02895	32.1
97.06522	28.2
99.04467	7.4
99.08087	5.1
103.05460	21.5
105.07038	49.8
107.04962	4.7
107.08603	62.2
109.02853	14.3
109.06526	12.7
109.10159	52.6
111.04452	6.0
111.08157	4.7
113.05991	7.7
117.03386	7.9
117.07037	7.0
119.04924	5.5
119.08577	61.0
121.06512	6.5
121.10152	25.5
123.04494	6.1
123.08132	4.5
123.11723	18.2
125.09621	9.9
127.03923	28.1
127.11198	18.3
128.06294	4.3
131.04930	32.2
131.08580	6.8
133.06500	5.1
133.10136	53.8
135.04395	4.9
135.08109	6.0
135.11699	84.8
137.05992	30.2
137.13277	8.5
143.08572	7.6
143.10664	30.2
145.02864	9.4
145.04977	37.3
145.10141	10.3
147.04454	8.5
147.07985	5.7
147.11690	33.4
148.90465	3.6
149.05991	4.4
149.09650	5.8
149.13254	8.1
151.04005	4.0
151.07564	10.2
153.12769	9.4
157.10158	4.5
159.11682	10.9
161.05936	6.3
161.09627	10.2
161.13225	19.7
163.03867	6.2
163.06032	21.7
163.07562	33.8
163.11205	4.9
163.14830	5.0
167.07068	40.1
169.10307	4.9
171.11613	4.0
173.13307	4.1
175.14859	10.2
177.05441	21.4
177.12759	3.9
178.05846	3.7
181.04942	13.0
189.05449	25.8
189.16342	7.9
191.07022	10.4
191.14456	4.0
193.04968	15.0
193.08688	6.0
203.17943	65.9
205.19504	4.4
215.07022	5.2
217.15866	48.1
221.19003	59.9
235.09616	8.2
235.16920	63.4
239.20137	4.9
253.17920	24.8
259.09750	6.6
295.11789	5.1
333.13062	11.5
354.14264	5.1
397.24640	4.0
401.11078	7.7
401.15881	4.6
418.12509	4.7
419.12061	15.2
495.18127	11.5
537.19348	37.7
581.18188	78.0
581.26453	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	581.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
55.01867	5.7
55.05521	11.8
57.03428	8.0
57.07062	3.5
58.21030	2.6
61.02916	5.5
63.55580	2.4
63.70550	2.4
65.03936	3.0
67.05518	14.2
69.03436	21.4
69.07070	13.6
70.54691	8.5
71.05006	15.9
72.20180	2.3
73.02901	4.2
79.05491	24.1
81.03426	11.8
81.06603	5.1
81.07060	90.5
83.04989	3.2
83.08607	10.8
85.02908	100.0
85.06530	2.8
87.04487	2.9
89.03935	3.2
91.05496	19.2
93.07053	41.9
93.91983	2.7
95.04955	8.5
95.08611	51.1
97.02899	29.6
97.06536	8.2
97.10165	5.8
99.04445	6.4
99.08076	5.7
100.33385	2.7
105.07035	46.7
107.04948	2.6
107.07883	3.9
107.08595	57.1
109.02870	13.2
109.06535	4.2
109.10170	46.4
111.08078	2.8
117.03378	14.5
117.06981	4.1
119.04921	4.4
119.08582	71.9
121.02863	2.3
121.06479	3.1
121.10149	24.6
123.08062	3.6
123.11723	20.2
125.09619	5.9
127.03918	21.8
127.11202	25.4
131.04974	3.5
131.08571	6.2
133.04866	2.6
133.10136	41.7
135.10716	4.9
135.11693	71.8
137.05986	4.5
137.09561	3.0
137.13239	4.7
139.11171	2.7
143.08540	5.7
143.10689	25.0
145.02869	38.4
145.04968	39.6
145.10150	12.7
147.04405	3.9
147.11707	38.4
149.05991	7.2
149.13260	11.7
155.08548	3.6
157.10107	5.2
159.11716	11.3
161.13231	20.4
163.06027	15.1
163.14853	8.0
167.06979	2.9
169.10159	2.7
171.11729	5.0
173.13255	3.3
175.14790	6.7
177.05482	92.9
177.12726	4.6
178.05780	3.2
181.04913	3.8
185.13335	4.1
187.14766	7.0
189.05502	5.8
189.16161	4.2
195.11644	4.4
201.16423	3.8
203.14200	3.1
203.17979	75.8
204.18317	2.7
205.19547	4.5
207.11774	3.2
211.14854	2.9
215.14134	2.9
221.19002	69.5
225.16399	2.6
243.15860	4.6
321.09818	3.9
339.10788	4.1
347.22351	3.5
383.24365	3.9
387.30417	3.1
405.31421	4.3
487.37344	2.6
537.19269	6.0
581.18329	16.6
581.25433	5.1
581.34943	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	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01865	2.0
55.05276	1.2
55.05515	17.6
57.03440	11.2
57.07069	4.1
65.03934	1.0
66.74815	0.8
67.05507	41.4
67.67410	0.7
68.05824	1.4
68.64038	0.8
69.03434	1.5
69.07069	19.2
71.04980	3.3
71.08626	2.5
79.05494	20.3
80.57869	0.8
81.03423	2.7
81.07056	43.1
82.07372	1.5
83.04964	2.1
83.08624	14.5
85.06510	1.3
91.05482	11.1
93.07047	34.4
95.04963	5.1
95.08611	50.4
96.08947	1.1
97.02891	1.4
97.06535	4.3
97.10153	6.6
99.04462	3.2
99.08094	1.6
105.07024	10.7
107.04965	6.3
107.08601	23.7
109.06524	2.6
109.10167	15.0
111.08062	1.6
117.07024	4.9
119.08588	10.9
121.06503	2.5
121.10149	13.0
123.08071	1.2
123.11687	5.2
125.05995	2.1
130.07761	1.7
131.08563	2.2
133.10152	5.8
135.08046	2.1
135.11693	29.6
137.13240	2.8
139.07573	1.5
143.08585	1.4
145.09070	1.5
145.10133	17.1
147.11629	2.0
149.13255	1.5
163.11186	37.7
164.34225	0.9
173.09674	1.2
175.14932	1.6
181.12263	5.2
181.29756	0.8
218.54300	0.9
227.12781	41.5
245.22754	1.2
249.10995	1.6
250.11261	1.5
263.23654	1.5
268.15979	1.0
283.15399	37.2
337.27371	100.0
338.27646	1.9
426.26880	1.0
468.37759	1.0
530.39081	4.4
545.38397	57.6
548.40100	3.3
562.37720	6.7
580.39001	26.7
581.40125	3.6
602.62372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.8
53.03947	6.5
55.01868	7.3
55.05516	19.7
55.14232	0.8
57.03442	4.6
57.07068	1.3
57.10804	0.8
58.83331	0.7
58.89930	0.8
59.05001	3.2
65.03937	2.4
66.55978	0.7
67.05508	62.7
69.03436	14.9
69.07076	4.4
70.15664	2.1
70.16067	1.2
71.01356	2.1
71.04996	6.5
79.05021	0.9
79.05496	19.2
81.03422	57.7
81.07059	19.7
83.01344	3.4
83.04984	16.4
83.08620	10.8
85.02918	8.3
85.06546	2.6
87.04455	1.2
91.05489	13.7
93.06490	1.3
93.07052	21.0
95.04979	7.6
95.08629	7.3
97.02897	11.9
97.06541	3.2
97.10171	8.0
99.04483	4.8
103.05441	1.0
105.07040	7.8
107.04960	6.4
107.08595	10.4
109.02891	15.3
109.06519	4.1
109.10162	38.1
111.04447	11.9
111.08097	2.5
115.05431	1.2
117.07015	4.5
119.08594	9.9
121.06511	2.4
121.10162	5.7
123.04435	2.0
123.08088	3.8
123.54709	0.8
125.05988	1.3
125.09625	9.7
127.03922	11.1
129.06992	1.6
131.08595	3.1
133.10146	3.5
135.08081	1.1
135.11700	7.4
137.09624	3.6
143.08569	1.5
145.10109	8.8
146.52943	0.9
147.04369	1.0
147.08037	1.4
147.11705	1.2
149.05943	0.9
149.09610	1.4
153.09190	0.8
153.12766	5.0
155.10710	2.0
163.11186	13.8
172.02910	0.8
173.09618	2.9
173.11748	13.1
173.13177	0.9
175.11258	1.2
181.12241	4.5
185.09668	0.8
189.11240	4.9
191.10634	3.8
193.12216	1.8
209.11720	7.4
214.42340	0.8
214.65564	0.8
227.12779	10.7
229.14348	3.2
252.56354	0.8
265.14291	1.1
267.16028	1.2
281.13831	1.7
283.15424	3.8
299.14914	9.2
335.14786	1.4
353.16031	4.7
355.17572	7.3
373.18658	1.2
409.18723	1.2
419.24515	1.0
437.25372	10.4
507.26062	2.2
563.28595	3.1
581.29572	100.0
582.30585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
53.42821	1.8
55.01864	6.6
55.05519	15.9
57.03436	22.2
57.07082	2.0
61.02934	9.2
65.03941	2.5
67.05507	52.9
69.03436	17.5
69.05576	1.7
69.07070	51.0
69.77462	8.8
70.85889	1.7
71.04995	24.3
71.79160	1.9
73.02914	7.5
76.12260	2.1
79.05498	53.2
81.03413	23.5
81.06593	3.8
81.07057	55.1
83.04980	14.5
83.08624	13.0
85.02906	18.9
85.06549	3.4
87.04462	1.7
89.87082	1.7
91.03949	4.3
91.04912	2.5
91.05486	42.1
92.46209	1.9
93.07047	46.2
94.07407	2.2
95.04971	17.2
95.08611	24.3
97.02894	16.6
97.06535	100.0
97.10183	3.9
98.06854	4.0
99.04462	3.6
99.08093	6.3
103.03947	3.1
103.05473	2.8
104.66126	2.2
105.07030	27.5
107.04944	13.3
107.08601	25.1
109.02869	7.6
109.06533	18.5
109.10165	12.2
111.04434	2.8
111.08082	8.1
115.05493	2.1
115.07574	38.5
117.07006	16.2
119.04949	5.9
119.08614	17.4
120.05266	2.1
121.06515	10.6
121.10133	16.3
123.04446	2.8
123.08092	4.8
123.11740	3.4
123.48737	1.6
125.09586	2.7
127.03909	13.7
127.07536	4.1
129.05504	2.2
129.06975	8.9
131.07054	3.7
131.08569	22.8
133.06447	3.5
133.10130	24.1
135.08072	15.6
135.11697	12.7
137.05937	2.0
141.07005	3.0
143.08551	7.2
145.02884	1.8
145.04976	4.7
145.06444	1.9
145.10139	14.0
147.04408	17.3
147.08090	8.8
147.11681	7.7
148.04622	2.0
149.09621	8.1
149.13232	12.5
151.11224	3.5
155.08594	2.8
157.10156	9.2
159.08102	4.7
159.11723	16.6
161.09619	8.4
161.13255	2.3
161.60942	1.8
163.03966	2.7
163.07532	2.1
163.11221	4.6
165.12636	1.8
171.11668	3.2
173.04427	5.3
173.09622	2.0
173.13268	3.3
173.98260	1.8
175.11246	4.9
175.14818	1.8
177.12747	15.0
179.14348	3.2
185.13239	2.3
187.07741	2.0
187.14771	2.0
187.71999	1.8
189.11208	3.0
189.12729	3.1
195.13768	6.7
197.13158	3.1
199.14885	3.5
201.12733	2.6
203.14474	2.8
215.14471	2.9
217.15898	11.9
219.13875	2.1
221.15459	2.7
227.12741	5.2
227.17944	4.2
233.15352	17.2
239.16563	2.7
245.19054	5.9
245.56816	2.1
253.14395	4.0
255.15813	6.9
255.17906	3.8
259.09491	2.8
263.19992	2.2
269.17487	48.9
271.15384	4.2
273.18503	39.0
291.19608	17.4
294.07925	2.0
297.16919	16.8
307.19128	5.3
313.03525	3.3
325.20032	7.9
347.22174	14.9
356.08505	4.5
364.45087	2.1
365.23248	43.6
383.24207	21.8
399.10596	3.1
400.11264	11.8
417.11493	4.1
418.12216	10.8
445.12448	2.0
525.58246	2.1
527.28394	2.2
580.17407	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01860	7.3
55.05520	18.3
55.05742	3.7
56.07015	2.2
57.03436	28.1
60.04512	7.1
61.02921	9.6
67.05503	58.9
69.03431	22.1
69.07071	55.3
70.06612	4.6
71.04990	26.3
73.02907	8.9
79.05501	50.1
81.03416	25.2
81.06593	3.3
81.07057	53.8
83.04980	17.1
83.08634	15.1
85.02892	22.3
85.06544	4.6
91.03981	4.4
91.05488	38.5
93.07047	52.9
95.04959	15.5
95.08595	28.6
97.02908	15.7
97.06533	100.0
97.07157	5.2
97.10170	5.7
98.20795	6.6
98.97537	3.9
99.04470	5.7
99.08083	8.1
101.31017	2.4
105.07032	28.6
105.24187	2.3
107.04955	14.9
107.08597	26.9
108.97874	2.7
109.02886	5.5
109.06513	20.5
109.10159	12.5
111.08055	7.6
113.06006	2.6
115.05455	2.8
115.07572	36.0
117.07029	19.2
119.04903	5.2
119.08585	25.1
121.06522	8.2
121.10163	18.1
123.08037	7.9
123.11702	6.2
125.09624	6.1
127.03927	7.9
127.07565	4.9
127.29189	2.2
129.05539	3.1
129.07007	9.5
131.07028	4.1
131.08577	22.2
133.06490	4.9
133.10130	24.1
135.04454	2.6
135.08073	12.3
135.11714	13.2
137.06018	3.1
137.09612	3.0
141.06989	3.5
143.08569	9.3
145.06485	4.1
145.10143	10.3
147.04358	4.2
147.08073	4.8
147.11655	6.1
148.04793	2.5
149.09616	7.9
149.13257	14.5
151.11218	5.8
155.08527	3.3
157.10152	8.6
159.08040	4.2
159.11697	17.0
161.09601	8.3
161.13248	4.0
163.03932	8.7
163.11218	7.7
171.11673	7.9
173.04514	4.1
175.11169	4.5
177.12778	17.6
179.14360	4.0
185.13255	3.4
189.05515	3.5
195.13797	9.0
199.14882	4.0
217.15858	10.0
221.15474	3.0
227.12793	3.0
233.15384	16.0
237.16435	2.7
245.18901	6.0
251.16437	4.8
255.15807	7.6
259.09656	8.5
269.17474	55.1
272.06409	5.4
273.18475	36.1
285.16980	4.5
291.19632	21.4
297.16928	11.4
307.18817	5.8
325.20108	6.2
332.27875	4.0
346.14749	2.5
347.22134	19.5
355.18890	2.9
365.23230	59.1
383.24265	31.2
391.42441	2.6
400.10931	3.4
418.12018	6.2
580.24066	5.4
580.33563	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	580.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01881	11.9
55.05270	2.0
55.05521	23.5
56.96564	1.9
57.03444	18.1
57.07056	1.9
57.41155	1.4
58.95329	1.6
61.02936	8.5
65.03931	3.4
67.05513	81.6
69.03436	10.7
69.07075	43.6
69.97164	8.8
71.01343	2.8
71.05010	8.5
73.02910	5.1
73.06580	2.0
79.05502	38.9
81.03430	13.9
81.07065	57.1
83.04983	11.9
83.08637	13.3
85.02914	15.4
85.06533	5.2
91.03948	5.4
91.05488	40.2
93.06483	2.9
93.07055	40.3
95.04974	11.0
95.08061	3.5
95.08616	36.7
97.02890	8.7
97.06543	21.6
97.10168	7.8
98.21409	3.0
99.08112	1.9
103.03976	2.4
105.04560	1.7
105.07037	37.4
107.04970	9.9
107.08591	24.2
109.06509	3.8
109.09476	2.7
109.10170	35.4
111.04482	2.0
111.08121	5.3
117.07040	12.6
119.08607	24.4
121.06490	5.2
121.10156	16.1
123.08070	6.7
123.11700	6.3
125.09647	9.0
127.03902	2.7
129.05493	2.4
129.07010	7.1
131.08566	16.2
133.06494	2.4
133.10130	22.3
135.08066	4.9
135.11685	14.5
137.09627	8.9
143.08598	4.1
145.10162	16.2
147.08093	2.8
147.11713	13.4
149.09644	21.0
149.13225	5.5
151.11211	4.7
155.10699	4.3
157.10069	4.4
159.11720	13.3
161.09517	3.2
161.13263	5.8
163.11171	8.6
165.09093	2.2
169.10153	3.4
171.10164	11.5
171.11569	3.3
173.11742	13.1
173.13293	4.5
175.11188	3.2
177.12737	4.8
179.14366	3.5
187.11086	2.5
187.13275	2.5
189.11215	3.3
193.12228	2.8
194.59612	1.9
195.13837	2.4
197.13264	3.5
223.13243	2.4
229.14366	32.7
229.19539	2.6
239.17949	5.6
243.13837	2.0
243.15904	10.7
247.20541	3.1
249.56813	1.7
253.18022	5.7
255.15903	7.6
257.19003	7.9
267.15866	3.1
269.17297	3.2
271.15494	2.6
273.18558	3.9
275.20084	41.2
283.15344	2.4
285.17032	3.9
291.19513	5.3
293.21307	3.1
297.16690	2.0
328.13522	3.5
349.23767	100.0
353.70175	1.7
367.24954	10.5
383.24466	3.4
479.95187	2.0
544.30579	2.1
581.29681	1.8
606.35944	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01863	10.6
55.05512	28.2
57.03426	16.2
61.02907	13.0
65.03948	3.4
67.05508	100.0
68.04230	4.0
69.03408	14.7
69.07069	57.9
71.01328	4.5
71.04986	8.0
71.54835	3.4
71.55232	4.2
73.02916	6.7
79.05496	47.3
79.92495	3.6
81.03402	16.5
81.07057	85.6
83.04955	12.5
83.08620	17.6
85.02914	17.5
85.06548	6.4
86.74989	3.6
91.03952	10.1
91.05478	70.9
93.07048	53.3
95.04969	18.8
95.08604	50.3
97.02870	10.4
97.06541	26.8
97.10139	10.3
99.08028	5.4
101.49553	3.6
103.03934	7.2
103.05471	4.5
105.07026	49.9
107.04942	15.5
107.08579	31.0
109.02885	3.6
109.06489	7.4
109.10155	39.6
111.08078	6.8
117.06980	16.4
117.89777	3.8
119.08572	35.4
119.18018	3.8
120.08150	20.2
121.06458	5.7
121.08395	3.8
121.10132	16.6
123.08055	11.0
123.11686	10.7
125.09615	9.4
127.03905	7.9
129.07011	3.7
131.08585	23.9
133.06511	4.0
133.10103	28.2
135.08031	6.2
135.11694	14.6
137.09622	15.5
145.10114	19.6
147.08075	4.7
147.11658	18.6
149.09608	24.7
149.13223	3.3
151.11131	4.2
155.08644	5.3
155.10634	5.5
157.10115	7.5
159.11771	17.8
161.09671	3.8
161.13264	12.6
163.11185	16.1
171.10181	14.7
171.11636	7.8
173.11749	17.1
173.13289	9.5
175.11139	5.7
177.12717	5.7
179.14348	6.1
183.11783	5.1
187.13263	7.4
187.69629	4.3
193.12277	7.6
197.13011	3.8
229.14340	38.1
229.19559	4.6
243.15862	11.3
247.20428	7.6
252.25125	3.4
253.17961	4.4
255.15884	13.1
257.18948	12.0
267.15897	7.4
269.17609	6.1
270.12415	4.2
271.12131	6.1
271.15326	12.0
275.20071	46.5
291.19458	6.6
293.21036	6.1
299.98120	4.1
349.23746	93.8
367.24832	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	579.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01868	9.6
55.05268	3.4
55.05512	35.4
57.03432	11.8
57.07063	5.7
59.04985	3.0
65.03929	4.0
67.05507	91.1
69.03426	6.8
69.06733	2.2
69.07076	28.8
71.04992	8.5
71.08625	21.6
79.05492	76.0
81.03419	56.7
81.07056	100.0
83.04987	16.9
83.08616	32.4
85.02908	21.8
85.06547	6.8
91.05481	66.7
91.05927	1.2
91.85262	1.8
93.07043	74.8
95.04967	32.9
95.08607	60.4
97.06557	12.5
97.10145	15.9
98.98446	9.2
99.08102	15.8
104.10751	2.3
105.04508	2.0
105.07030	51.3
107.04961	12.8
107.07876	2.9
107.08593	47.4
109.02877	5.0
109.06525	10.2
109.10158	37.8
111.04438	5.0
111.08096	14.1
113.05973	2.1
113.09674	3.1
117.07007	14.5
119.04910	2.2
119.08582	41.1
121.06490	3.7
121.10149	32.2
123.08058	7.3
123.11691	15.1
125.09657	14.1
129.07008	13.4
131.08557	27.4
133.06543	2.7
133.10127	25.8
135.08087	2.2
135.11676	21.5
137.09604	6.2
137.13225	3.3
139.11116	3.1
143.08577	5.5
145.10106	15.0
147.04416	4.7
147.08060	3.2
147.11693	24.1
149.09581	8.9
149.13301	15.4
151.11189	31.4
153.09172	2.3
153.12775	3.5
155.01060	10.7
155.08580	2.3
157.10141	13.7
159.11729	11.7
161.09760	2.1
161.13269	18.6
163.11143	9.7
163.14868	12.2
165.12735	9.2
167.10664	2.1
169.10045	2.7
171.11710	3.6
173.09537	2.3
173.11865	3.0
173.13197	10.0
175.11208	11.3
175.14835	5.1
177.12793	2.7
179.14334	10.2
185.13289	4.0
187.14781	6.1
189.11198	9.2
193.12253	43.5
203.14240	2.0
211.13289	54.4
227.12788	24.3
229.14406	2.4
235.23407	2.4
241.05139	2.0
241.19467	4.3
243.21100	11.2
259.20517	6.9
261.22144	50.1
263.23715	4.8
267.15945	23.0
269.17444	2.2
277.21619	51.4
285.16953	34.4
295.22653	4.5
315.22925	2.4
332.83633	2.1
335.25864	10.6
337.27289	8.0
345.63620	1.9
351.21252	1.5
351.25293	45.0
353.26889	41.8
359.32916	2.3
383.24216	4.0
437.25183	7.4
451.31619	2.2
455.26447	3.1
463.30554	6.1
479.30054	9.5
534.75720	2.1
543.36914	17.8
561.28223	3.0
561.37781	31.4
579.39740	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	579.387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03585	0.6
55.05505	0.8
57.03428	0.6
57.07067	2.1
58.78466	0.5
67.05496	2.1
70.99180	1.0
71.08630	2.1
73.79002	0.5
77.20921	0.6
79.05522	0.7
81.07078	1.9
83.08646	0.9
91.05460	0.7
95.08625	1.1
109.10165	1.0
126.88187	0.6
133.10133	0.8
173.04860	0.6
183.58234	0.7
195.83275	0.6
207.26805	0.6
223.09526	0.6
267.12054	6.7
276.75888	0.6
313.27493	1.6
323.14774	2.6
467.37250	0.8
535.36121	1.2
561.37134	0.7
579.38708	100.0
580.39349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3895
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03941	5.7
54.26400	3.1
55.01864	7.8
55.05515	38.0
57.03432	11.5
57.07071	8.1
59.04987	3.3
65.03922	4.6
67.05507	93.6
69.03419	4.3
69.07072	29.5
69.70304	15.7
71.04988	9.6
71.08622	10.5
75.45966	2.9
79.05067	5.7
79.05494	63.2
81.03419	23.5
81.06593	6.2
81.07058	99.9
83.04974	11.7
83.08626	24.7
85.02906	5.2
85.06544	5.7
91.05493	49.3
93.07045	64.6
95.04950	14.8
95.08614	62.6
97.06522	10.3
97.10179	17.0
99.08091	5.8
105.04568	3.0
105.07043	37.0
105.20364	3.3
106.07356	3.3
106.50862	3.0
107.04962	10.1
107.08601	39.8
109.06519	5.6
109.10158	41.6
111.08061	9.5
117.07021	14.8
119.08582	35.5
121.06543	5.9
121.10160	36.6
123.08067	6.6
123.11700	7.9
125.09644	11.3
129.07010	12.2
131.08603	24.2
133.06531	3.7
133.10159	26.8
135.08029	4.1
135.11708	21.6
137.09610	5.7
137.13268	3.8
139.11185	7.2
143.08574	10.3
145.10136	21.3
147.08043	3.8
147.11661	16.8
149.09601	6.5
149.13239	9.5
151.11182	8.7
157.10126	9.1
159.11705	11.9
161.13246	13.0
163.11163	6.6
163.14772	3.6
165.12749	3.3
171.11707	8.5
173.11777	5.4
173.13225	7.9
175.11174	4.7
177.12701	4.3
179.14349	20.8
181.12260	6.3
183.11723	4.3
185.13228	4.0
187.14905	5.3
189.11188	5.7
193.12244	8.6
195.11638	3.2
196.22786	3.2
201.16391	3.3
203.12692	4.9
211.13298	10.6
227.12714	9.6
229.14378	12.8
230.99286	3.2
245.13754	4.3
249.00404	4.8
259.20416	3.1
261.22052	7.0
267.15857	9.6
277.21674	18.3
285.17093	8.4
299.23520	3.3
301.16333	9.0
303.23105	3.4
315.23203	3.3
317.24472	5.8
333.24588	5.3
335.25876	14.9
341.04996	3.7
351.25214	9.8
353.26648	100.0
384.04108	3.0
451.31931	6.1
469.32916	8.6
487.34219	7.6
489.35703	8.6
529.39026	15.0
543.36816	31.0
547.39532	12.0
561.37549	50.6
579.28522	26.0
579.37048	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	579.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
54.90217	1.0
55.01864	4.4
55.05515	12.2
57.03432	6.3
57.07058	4.4
60.93935	1.2
65.03931	1.9
67.05504	75.5
69.03409	4.0
69.07067	13.8
71.04983	4.1
71.08615	4.6
71.27746	2.4
73.02901	4.2
78.18871	1.1
79.05493	37.8
81.03418	9.4
81.07054	83.7
83.04967	4.0
83.08625	9.3
85.02891	6.2
85.06537	2.3
91.05473	26.4
93.07043	55.0
95.04958	5.4
95.08603	54.8
97.02885	1.6
97.06512	5.1
97.10169	5.2
98.98480	2.9
99.04455	2.5
99.08096	3.4
105.07025	25.3
107.04966	2.0
107.08591	36.1
109.02878	7.9
109.06516	2.6
109.10155	37.0
110.03671	2.8
111.04449	4.3
111.08067	2.5
113.05943	1.1
113.09679	2.0
117.07015	11.0
119.08577	20.1
121.10140	33.8
123.08109	1.2
123.11715	18.5
125.09647	2.1
127.03895	3.9
129.07019	2.7
131.08554	19.9
132.99516	1.3
133.10138	15.9
135.08076	1.4
135.11685	24.5
137.09615	3.1
137.13229	7.1
139.11134	2.8
143.08589	1.9
145.10117	18.8
147.11707	13.9
149.02350	1.6
149.09576	2.4
149.13234	17.8
151.11156	3.2
151.14809	3.0
153.12714	1.6
155.01045	1.8
157.10101	3.8
157.44232	1.1
157.45781	1.1
159.11693	12.8
161.13248	11.5
163.11154	2.3
163.14824	12.3
165.12767	3.0
167.14262	1.4
171.11751	2.2
173.11847	1.0
173.13257	15.5
175.14812	4.1
177.12778	1.2
177.16348	5.5
179.14267	8.2
183.11792	1.6
184.07405	1.1
185.13335	1.4
187.14757	9.5
191.00011	2.7
191.14177	1.1
193.12254	3.3
199.14740	1.5
201.16313	3.8
205.15912	1.9
211.13280	3.6
215.18034	1.4
229.14423	1.2
233.19077	2.0
233.22760	2.9
243.21078	27.6
245.22792	1.2
261.22125	100.0
263.23734	3.1
267.15820	2.1
277.21558	5.9
279.19977	0.9
279.23172	6.1
285.16974	4.9
303.23141	1.8
317.24808	1.7
335.22061	1.9
335.25806	22.4
337.27438	1.5
345.77011	1.1
351.25195	4.8
353.26862	85.9
369.24252	1.5
377.26706	1.5
387.25226	1.2
389.26981	1.3
427.28494	1.5
446.76984	1.3
451.21323	2.9
469.22241	2.2
543.26129	1.7
543.36426	3.5
561.27881	7.3
561.36542	6.8
566.01019	1.2
579.27014	1.6
579.35266	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	579.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81536	0.9
53.03930	3.5
55.01878	5.0
55.05514	10.5
57.03421	4.3
57.07060	2.7
65.03950	2.3
67.05502	63.9
69.03419	4.3
69.07067	13.5
71.04983	3.0
71.08617	3.1
71.56809	1.2
73.02917	2.3
75.04482	1.2
79.05492	35.1
81.03433	7.2
81.07056	67.4
83.04964	2.2
83.08619	7.8
85.02900	3.2
85.06530	3.6
89.03892	1.1
91.05473	20.8
93.07043	51.9
95.04958	4.3
95.08604	52.9
97.02872	2.3
97.06514	3.5
97.10146	4.6
98.98460	2.1
99.04459	1.2
99.08073	2.9
105.04503	1.2
105.07028	22.6
107.08591	31.6
109.02885	8.4
109.06525	2.1
109.10154	32.0
110.03672	4.2
111.04430	2.9
111.08112	2.2
117.07014	11.3
119.08575	19.5
121.10146	32.1
123.08021	1.7
123.11717	15.5
125.09664	2.3
127.03894	4.7
129.06998	2.1
131.07597	1.8
131.08560	22.9
132.99586	1.3
133.10130	15.3
135.10692	1.7
135.11690	27.1
137.09616	2.5
137.13225	5.5
139.11168	2.9
140.27977	1.0
141.06886	0.9
143.08572	2.0
145.10117	17.2
147.11696	10.3
149.09619	1.9
149.12251	0.7
149.13260	17.4
151.11116	2.9
151.14827	2.8
153.12738	1.3
155.01048	1.3
155.08505	1.7
157.10077	2.2
159.11700	15.9
161.13258	8.7
163.11191	2.3
163.14804	12.2
165.12744	3.1
171.11644	1.6
173.13251	16.9
175.14806	3.9
177.12804	2.0
177.16359	4.2
179.14317	3.0
181.10114	1.1
185.13211	2.1
187.14835	7.9
191.00076	3.2
193.12204	1.2
201.16371	4.0
205.15883	1.5
209.01178	1.2
227.12645	1.2
233.22646	3.1
243.21089	30.2
245.13857	2.0
245.22766	1.1
259.20514	1.3
261.22134	100.0
263.23724	2.7
277.21805	1.7
279.23151	2.9
285.16806	1.7
289.21783	1.4
301.16470	2.3
303.23032	2.3
335.25800	18.1
337.27551	1.6
351.25327	2.1
353.26886	84.2
369.24228	2.2
377.26746	2.8
443.27698	1.8
451.21225	2.1
461.28040	1.2
469.22433	1.2
487.23627	1.9
507.23859	1.2
525.24921	1.0
543.25879	1.2
543.36548	3.1
561.27094	9.1
561.37549	6.8
579.28021	2.5
579.38214	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	579.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01871	0.8
55.05508	0.5
57.03422	0.6
65.03920	1.5
67.05502	0.8
69.03431	3.1
69.37509	0.4
69.44517	2.3
69.44932	0.6
71.04999	0.6
73.02911	0.7
75.09259	0.4
75.52294	0.4
78.04700	1.8
79.05498	2.0
80.19798	0.4
81.03403	1.5
81.07044	0.8
83.04965	1.1
85.02901	3.7
86.09715	0.6
91.05476	4.6
93.03395	0.8
93.07034	1.2
95.04942	0.6
95.08598	0.9
97.02866	1.5
97.06535	1.4
98.20727	0.7
98.97549	0.9
103.05448	1.2
105.07027	1.0
106.04189	1.1
107.04948	1.7
107.08569	0.7
109.02847	0.5
110.03699	0.5
111.04421	0.7
112.34222	0.4
115.05451	3.8
117.07028	6.1
119.04945	1.8
119.08578	1.1
121.02860	0.6
121.10165	0.9
123.04441	4.3
124.05207	1.6
125.05992	0.5
125.97718	0.5
127.03874	0.7
127.05435	1.1
128.06253	0.5
129.07018	1.1
131.08586	0.9
133.06512	2.1
133.10138	0.7
134.54121	0.4
135.04387	0.5
137.05991	0.8
137.09569	0.4
141.06967	0.9
143.04930	0.6
144.05681	0.7
145.02876	0.5
145.06488	7.9
147.04408	0.9
147.07976	0.6
149.06015	1.0
151.03888	1.0
152.04691	1.8
153.05421	0.7
153.06839	0.4
155.06068	3.5
159.08026	1.9
161.06010	0.9
163.03917	1.7
167.07042	100.0
171.06593	0.6
173.05995	20.7
175.07573	0.9
177.05511	0.8
178.07806	0.8
179.08560	0.8
181.04965	20.1
187.07501	2.5
189.05429	0.7
189.06970	0.8
191.07040	0.7
191.14438	0.4
201.05446	1.0
205.06685	0.8
205.08598	4.1
207.08188	0.4
213.09251	0.4
215.08679	0.7
218.07248	0.9
219.17419	1.0
225.09142	1.7
227.08612	0.7
228.09360	1.2
229.10101	0.6
231.07990	0.7
233.08034	5.0
234.06775	1.7
235.07477	1.0
235.09697	4.1
236.08302	0.8
237.18513	0.7
239.06981	1.3
239.08977	0.7
240.09340	0.8
241.08371	0.5
242.10881	0.7
243.08093	0.6
244.08803	0.5
245.09747	1.0
247.07596	0.6
251.06929	0.6
252.09520	0.6
255.08134	2.0
256.08994	2.5
257.09695	1.0
257.13177	0.7
259.07550	0.6
262.06198	1.3
263.07050	0.8
264.07996	0.5
268.08942	1.3
269.08127	0.6
270.10596	0.8
272.08206	0.7
273.09183	1.2
274.09930	0.6
280.07339	0.7
283.07620	0.9
284.08322	3.4
285.09091	2.5
285.12726	2.9
286.09833	1.2
287.07227	2.3
287.10129	0.6
287.14273	0.8
289.08765	0.5
295.11227	0.8
297.12781	1.0
298.09879	1.1
300.07724	1.9
301.08636	1.8
302.09442	2.8
303.10330	0.9
303.13672	1.2
312.07846	1.5
313.08783	0.8
313.12094	4.9
314.09534	0.9
315.13806	1.9
325.12338	1.2
329.08115	0.7
329.11615	2.5
330.09229	0.9
331.13300	4.3
333.15027	0.8
341.11771	2.7
343.13510	1.1
359.12778	10.8
361.14355	1.5
377.13760	3.5
387.14664	12.4
405.13306	5.6
417.15454	11.4
423.14377	0.8
533.18512	0.6
575.90771	0.5
579.20740	58.3
580.20898	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77457	2.7
53.03939	7.4
55.01864	10.7
55.05513	38.5
55.24149	2.9
55.49894	3.2
57.03429	12.2
57.07072	5.3
65.03935	4.9
67.05505	85.0
69.03413	4.2
69.07070	22.0
69.91129	10.9
71.04996	5.1
77.59155	2.7
78.59530	2.7
79.05079	3.9
79.05498	55.0
81.03429	5.2
81.06596	5.5
81.07061	100.0
83.04978	13.7
83.08629	24.6
84.11446	3.1
84.25476	2.8
85.06544	5.6
91.05486	49.5
93.07053	66.9
95.04950	10.4
95.08611	63.9
97.06522	6.4
97.10161	26.1
98.21449	4.7
99.00803	10.9
99.08083	4.4
105.06406	4.7
105.07041	45.7
107.04939	6.2
107.08598	49.8
109.02894	9.7
109.06530	7.6
109.10162	43.7
111.04435	5.8
111.08054	9.9
117.07014	17.3
119.08591	37.7
121.06475	4.2
121.10155	26.9
123.04510	3.3
123.08096	5.2
123.11697	13.4
123.95840	2.9
125.09631	20.5
127.11227	2.6
129.06981	8.4
131.08586	25.9
133.10147	43.4
135.08054	6.2
135.11722	23.5
137.09558	5.3
137.13263	6.2
139.00618	3.0
141.06990	4.6
143.08530	14.8
145.06451	4.4
145.10130	23.1
147.07967	3.7
147.11653	18.6
149.09628	7.2
149.13266	10.7
151.11180	10.7
153.12755	3.5
155.08557	6.6
157.10124	11.6
159.11719	17.7
161.09627	11.6
161.13274	8.8
163.11172	6.5
163.14748	6.0
165.12721	3.5
169.10123	6.0
171.11659	8.1
173.13188	16.3
175.14774	3.3
179.10687	6.9
181.10126	3.2
181.12192	3.8
183.11664	7.4
185.13213	11.6
187.14758	4.8
189.09087	8.1
189.11197	10.8
193.10162	3.5
197.13329	4.2
199.14838	5.9
207.10118	3.2
209.11639	3.8
209.15306	3.5
225.11154	12.3
227.12848	18.2
241.19406	4.6
243.21036	3.9
259.20557	7.7
261.22171	23.5
277.21625	11.5
279.23163	7.0
281.13895	8.4
283.15289	7.0
297.22092	4.1
299.14914	27.9
313.21539	4.5
315.23276	14.3
317.24557	3.9
333.24088	4.0
335.25867	28.7
351.25333	7.5
421.30930	8.0
431.29465	5.9
439.31854	8.5
449.30508	14.4
457.33005	4.8
467.31610	20.7
468.92624	3.3
485.32928	16.1
495.34482	4.7
513.35510	20.5
515.37488	4.5
523.34192	5.5
531.37030	23.7
541.35266	74.8
559.36322	86.0
577.37579	35.4
604.22693	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	579.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29564	0.3
53.03942	0.6
55.01875	0.8
55.05513	0.5
61.02912	0.5
65.03935	1.9
67.05491	1.4
68.02478	0.4
69.03434	2.5
69.07071	0.5
70.06577	0.4
71.04995	0.5
71.23754	0.5
71.24089	0.8
72.72992	0.4
73.02896	0.6
78.04691	1.4
79.05498	3.0
81.03425	0.9
81.07041	0.9
83.04967	1.4
85.02912	4.4
91.05481	5.3
93.03399	0.6
93.07025	1.7
95.04961	1.4
95.08585	1.0
97.02872	1.2
97.06522	1.4
98.97569	1.6
103.05461	1.4
105.03361	0.8
105.07021	1.6
106.04147	1.5
107.04943	2.1
107.08609	0.7
109.02898	0.6
109.10181	0.5
110.03652	0.6
111.04427	1.3
115.05473	4.3
117.06353	0.5
117.07035	5.4
119.04929	2.4
119.08572	1.0
121.02888	0.7
123.04442	4.8
124.05234	2.1
127.03964	0.7
127.05417	0.6
128.06172	0.5
129.06969	1.1
131.04929	0.8
131.08588	1.4
133.06502	2.3
133.10135	0.8
135.04462	0.7
137.05991	0.7
141.06995	0.8
142.02582	0.8
143.04907	0.6
144.05713	0.7
145.02802	0.6
145.06491	9.6
145.10063	0.6
147.04355	0.6
147.08032	0.6
149.06021	0.9
151.03906	1.6
152.04721	1.7
153.05502	0.6
153.06984	0.7
155.06042	4.3
157.06465	0.5
157.10155	0.5
158.99637	0.7
159.08067	2.7
161.06017	1.1
163.03931	1.2
165.07021	0.5
167.07048	100.0
171.06624	0.4
173.05989	21.2
175.07521	0.9
177.00757	0.5
177.05539	0.5
178.07846	0.4
179.07108	0.5
181.04971	22.5
181.06349	0.9
183.04527	0.5
187.07558	4.4
189.05469	0.7
189.07062	0.9
189.09152	0.7
190.07904	0.5
191.08582	0.6
195.08014	0.6
196.05180	0.5
201.05536	1.0
205.06671	0.6
205.08559	4.2
206.07310	0.4
207.08116	0.7
213.09116	1.3
215.08699	0.9
216.09344	0.8
217.08514	0.5
218.07310	1.3
219.01772	0.5
219.08138	0.5
219.17439	0.8
225.09177	3.6
227.08585	0.9
228.09343	2.1
229.10248	1.9
231.07991	0.4
232.08907	0.5
233.08035	5.1
234.06738	2.7
235.07484	1.8
235.09702	4.5
236.08377	0.8
239.07053	1.8
239.09032	0.7
240.09290	1.5
241.08493	0.6
242.11113	0.6
243.08060	0.8
245.09723	1.0
246.10597	0.5
247.07565	1.1
251.06889	0.8
252.09378	0.9
253.10425	0.6
255.08017	3.0
256.08853	2.9
257.09903	2.2
257.13281	1.0
258.10434	0.5
259.07690	0.8
259.10995	0.4
262.06302	1.4
263.07062	1.2
267.11658	0.8
268.08820	2.2
269.07803	0.8
269.10056	0.7
269.13260	0.9
270.10373	1.0
271.07495	1.5
271.11118	0.7
272.08286	1.3
273.09106	1.1
274.09894	1.6
275.10687	0.7
275.14267	0.6
281.09366	0.8
283.11203	0.6
284.08371	5.1
285.09088	3.1
285.12747	3.5
286.09915	1.4
287.07095	1.6
287.10593	0.8
287.14291	1.0
291.06650	0.4
295.11044	1.4
297.09277	0.9
297.12756	1.7
298.09988	1.0
300.07956	2.2
301.08759	2.7
302.09381	3.9
303.10168	1.5
303.13821	1.8
312.07880	1.4
313.08594	1.4
313.12146	7.0
314.09415	0.8
315.06601	0.7
315.10272	0.8
315.13669	2.3
318.13275	0.5
318.63354	0.6
321.16229	0.5
325.12311	1.2
329.11594	3.1
330.08960	1.2
331.13287	7.1
333.14871	1.6
341.11673	4.1
343.13324	1.3
349.14532	0.5
359.12793	14.0
361.14490	1.6
369.11273	1.5
377.13943	6.0
387.14758	12.1
405.13342	10.7
417.15536	9.2
423.14413	0.9
448.14145	0.4
488.72928	1.0
533.17865	1.0
579.20703	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1897
Annotation	Antibiotic MM 44785
Peak:m/z	Relative Intensity
53.03941	0.4
55.05509	0.7
60.36585	0.4
65.03953	0.3
66.11568	0.3
67.05515	0.8
69.03428	0.9
69.07070	0.7
71.05001	0.3
79.05491	1.0
81.03423	1.0
81.07043	1.0
83.04967	0.6
84.96038	0.3
85.02901	1.3
86.09727	0.5
91.05476	1.7
93.07047	3.5
95.04973	1.2
95.08594	0.9
97.02885	0.9
97.06549	2.3
98.21570	0.8
98.92714	0.4
100.73463	0.4
105.07020	0.8
107.08598	0.8
109.02851	0.4
109.10132	0.6
111.04448	1.1
119.04918	0.4
119.08582	0.9
121.10156	1.6
122.91655	0.3
123.08131	0.5
127.03900	0.7
129.03371	1.3
131.08572	0.8
133.10120	0.5
135.04414	0.4
137.06007	0.4
140.16656	0.4
145.02895	0.6
147.04454	0.7
149.02425	0.5
149.09604	1.2
153.07002	0.4
161.04752	0.4
161.06007	0.6
161.09743	0.4
163.03915	1.4
173.02377	1.0
175.03941	0.4
177.05450	0.6
189.05472	11.3
197.05986	0.4
199.06003	1.4
205.04776	0.5
207.13815	0.5
210.55980	0.4
215.06984	1.8
229.63676	0.4
231.02675	2.1
241.08545	0.4
249.03671	1.8
259.09686	3.6
271.06082	0.7
309.13034	0.7
351.14139	5.8
369.15222	7.3
415.09872	0.7
415.14584	0.5
457.13303	0.4
475.15732	1.0
533.20160	0.5
559.17920	2.2
577.18927	100.0
584.16376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.05510	6.6
57.03437	11.8
57.07079	24.2
67.05515	9.3
67.10184	1.2
69.07077	6.5
69.14887	1.1
69.80803	1.2
71.08632	13.6
71.33004	1.7
79.05502	6.5
81.03419	52.0
81.07050	13.2
83.04979	1.9
83.08227	1.4
83.08627	15.2
85.10181	10.9
89.05994	1.5
91.05492	6.5
93.07040	5.2
95.04971	13.2
95.08614	14.0
97.10143	2.6
105.07018	5.3
107.04935	3.2
107.16054	1.1
109.10143	7.0
111.04468	1.6
111.08080	2.6
111.88271	1.1
119.08545	6.0
121.10106	3.8
123.11732	2.5
129.07002	5.3
129.42053	1.3
131.08557	4.4
132.08939	1.3
133.06479	2.1
133.10081	3.3
137.09645	1.9
140.82025	1.2
142.07744	1.2
147.11639	4.3
149.09625	3.7
156.71832	1.1
157.10092	5.7
168.81821	1.2
175.11182	5.2
177.83377	1.1
189.73083	1.2
193.12251	18.0
211.13365	1.7
236.73129	1.4
239.23726	1.3
249.14742	1.6
267.15921	100.0
313.27374	86.4
505.38916	72.7
561.54883	1.4
576.40057	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.05505	8.2
57.03190	1.3
57.03437	13.7
57.07077	27.7
63.38893	1.1
67.05507	13.8
69.07066	9.8
70.01215	5.9
71.04977	1.8
71.08630	21.3
79.05498	9.5
81.03423	59.1
81.07063	18.1
83.04985	3.4
83.08614	19.9
85.10192	9.8
87.04452	1.5
89.06039	1.3
91.05466	10.3
93.07048	7.4
95.04968	16.6
95.08612	14.9
97.02862	1.9
97.06528	2.0
97.10155	5.5
99.08031	1.1
105.07021	9.1
107.04932	3.5
107.08563	2.6
109.06518	3.0
109.10136	8.1
111.08072	3.5
111.11777	1.2
119.08592	7.5
121.10123	3.8
123.11708	3.4
125.06599	1.2
129.07014	7.6
131.08560	6.0
133.06439	2.0
133.10098	4.7
142.07756	2.1
147.08046	1.8
147.11647	6.0
149.09618	4.6
157.10091	5.9
165.12837	1.3
175.11189	6.2
193.12257	19.6
211.13326	1.7
239.23674	2.2
257.24707	1.5
267.15924	100.0
299.70682	1.1
313.27365	91.4
429.31583	1.5
505.38879	76.3
537.62958	1.4
576.40747	4.0
576.50012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.2
55.01870	25.4
55.05510	57.9
57.03441	15.4
57.07068	2.4
65.03934	4.1
67.05502	75.6
69.03420	10.6
69.07066	52.4
70.00747	2.3
71.04997	12.8
71.08630	3.2
71.56373	2.3
71.56801	4.0
71.77318	2.3
73.85071	2.3
76.87913	2.3
78.96330	2.7
79.05489	82.2
80.64103	2.2
81.03421	43.8
81.07053	82.2
83.01348	3.7
83.04973	18.3
83.08618	36.7
84.53345	2.0
85.02883	14.0
85.06544	3.8
91.05479	72.3
93.07041	66.1
95.04964	33.3
95.08603	40.0
97.02895	10.1
97.06529	22.6
97.10165	23.9
103.05500	2.5
105.04430	2.4
105.07030	57.2
107.04943	30.1
107.08603	46.3
109.02845	2.4
109.06506	16.2
109.10159	24.9
111.04449	5.4
111.08093	10.0
113.06008	2.1
115.05466	4.3
117.07010	28.1
119.04955	2.4
119.08580	51.9
121.06519	12.2
121.10158	27.0
123.04444	3.5
123.08089	13.8
123.11694	8.7
125.09621	26.6
128.06229	3.3
129.07031	17.8
131.08569	31.8
133.06503	4.6
133.10120	23.6
135.08057	9.6
135.11699	14.6
137.09587	6.7
142.07735	3.9
143.08551	9.7
145.06468	5.3
145.10114	38.3
147.08067	14.9
147.11684	24.5
149.09612	22.8
149.13301	3.1
151.11205	4.2
153.09087	4.5
153.12712	2.5
155.08553	4.5
157.10124	14.6
159.08040	4.9
159.11674	12.8
161.09605	4.2
161.13287	4.2
163.11160	25.0
165.09167	3.7
165.12807	7.3
169.10161	6.5
171.10344	3.6
171.11745	8.0
173.09647	5.8
173.11880	2.7
173.13290	6.7
175.11218	9.9
177.12793	3.0
181.12276	3.2
183.11722	4.7
185.01540	2.3
185.13216	3.3
187.14839	2.9
189.05539	4.2
189.11206	15.5
189.12720	2.9
191.10681	2.5
193.12201	25.3
193.13585	2.3
208.75932	2.4
209.11774	6.5
211.13255	26.8
219.13852	8.2
223.13370	7.0
227.12735	24.1
239.18047	2.6
249.15021	4.3
255.17369	2.7
257.19000	5.7
267.15897	31.8
273.18555	22.5
273.53412	2.8
275.20078	55.7
283.15405	37.3
285.16882	5.7
291.19543	89.4
293.21243	7.2
309.20789	2.6
313.21692	7.0
315.19586	3.5
331.22778	2.8
347.22208	5.3
349.23691	22.5
365.23279	12.3
379.21503	3.4
447.28745	2.6
465.30115	4.0
477.28397	4.9
483.31046	6.6
496.11044	2.4
539.33685	13.2
557.25977	3.9
557.34723	82.2
557.68109	2.7
575.35773	100.0
575.50189	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	575.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
57.03423	0.7
65.03923	1.4
67.05897	0.4
69.03433	3.0
70.98127	1.2
73.02907	0.6
79.05481	1.8
81.03407	1.3
85.02905	3.1
89.03899	0.6
91.05486	14.0
95.04993	0.5
97.02885	1.6
98.34583	0.4
99.04520	0.5
103.05457	2.0
103.86629	0.5
105.07011	0.6
107.04916	0.6
109.02901	1.2
118.04163	1.8
119.04938	17.7
119.05791	1.0
121.06484	0.7
124.75135	0.5
127.03867	0.8
129.03369	13.9
131.04919	2.6
133.06491	4.2
139.03938	0.7
145.02838	1.7
146.03621	1.3
147.04411	19.8
149.05992	1.4
149.83281	0.5
159.04433	2.9
161.05986	9.7
163.06834	0.5
165.05457	1.6
175.03920	5.6
177.05504	2.8
178.07767	0.6
179.07036	3.4
179.08473	0.7
187.03972	0.6
189.05469	100.0
190.05995	1.0
190.07741	1.1
191.07019	0.9
191.08572	2.5
193.04947	1.1
195.08020	0.5
202.07782	1.0
203.03429	0.8
205.04887	4.7
207.06541	7.2
217.06609	0.7
218.07195	0.5
219.06284	0.6
219.08163	3.0
223.07512	0.9
233.05930	0.6
237.09171	0.6
245.06123	0.4
247.07567	3.9
248.08304	0.5
251.06992	1.0
265.08514	1.5
267.10165	1.1
274.06320	0.6
275.07068	4.1
277.08759	0.6
279.10229	1.2
283.09671	0.8
289.08490	1.1
293.08151	1.1
303.06616	1.9
307.09586	1.8
317.08008	1.9
319.08182	0.8
321.07632	1.0
331.06195	0.7
335.09015	3.5
345.07718	1.0
349.10623	0.8
351.10770	0.7
353.10202	1.8
363.08682	4.9
367.11493	1.0
381.09885	3.5
384.06897	0.6
395.11237	7.5
413.12238	3.0
487.46594	0.5
575.17633	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	575.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
61.02898	0.6
65.03945	1.1
67.43494	0.4
69.03421	2.6
69.56493	3.3
73.02906	0.7
79.05499	1.7
81.03416	2.3
85.02908	3.6
91.04909	0.7
91.05485	12.6
97.02892	1.3
98.20861	0.7
99.04428	0.5
103.05457	2.3
108.26089	0.4
109.02883	1.1
111.08652	0.5
115.05418	0.6
118.04145	1.8
119.04118	1.0
119.04947	16.1
121.06492	1.4
127.03910	1.8
129.03374	13.3
131.04959	3.3
133.06508	3.9
139.03874	0.7
145.02850	1.7
145.04985	0.6
145.06429	0.5
146.03598	0.8
147.04422	17.4
149.05981	1.7
159.04385	2.6
161.06000	9.6
165.05522	1.5
165.06990	1.1
175.03932	5.1
177.05493	3.3
178.07819	0.9
179.07037	2.1
179.08492	0.6
181.06563	0.5
187.03896	1.1
189.05478	100.0
190.05991	1.2
190.07809	1.4
191.07027	1.5
191.08577	2.8
192.09317	0.5
193.04974	1.4
195.08008	0.9
201.07117	0.6
202.07863	0.6
203.03439	0.8
203.06985	0.6
205.05003	4.9
207.06535	7.3
207.08192	0.7
217.06508	0.9
219.06313	0.7
219.08173	3.7
220.08653	0.7
223.07458	0.7
229.06593	0.7
235.07504	0.7
237.09160	0.9
246.06897	0.6
247.07585	3.3
251.07127	0.7
257.05997	0.5
265.08615	1.7
267.10135	1.1
275.06961	4.0
277.08771	0.5
279.10181	1.3
289.08615	1.3
293.08109	1.3
303.06693	2.5
305.08044	0.5
306.89365	0.5
307.09576	1.8
312.28482	0.5
317.08008	1.2
321.07632	1.1
325.99713	0.5
330.28198	0.5
331.06146	1.2
335.09076	4.0
339.12488	0.6
351.10785	0.7
353.10449	2.2
363.08673	6.2
367.11862	0.8
377.10211	0.6
381.09784	3.5
395.06500	0.8
395.11279	9.0
395.68445	0.5
413.12250	3.4
543.14594	0.8
575.17572	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	575.1731
Annotation	Pabularin C
Peak:m/z	Relative Intensity
53.03955	0.4
55.05517	0.5
56.96574	0.6
57.03435	0.5
67.05482	0.6
69.03419	1.2
69.07079	0.5
69.41108	2.7
73.02921	0.4
79.05491	0.7
81.03428	0.9
81.07061	1.4
83.04987	0.3
85.02930	1.9
85.06538	0.4
86.03793	0.3
86.09650	0.4
91.05483	1.6
93.07049	0.6
95.08599	0.6
97.02931	1.8
97.06511	0.9
100.11259	0.6
105.07033	1.0
106.07344	0.4
107.04939	0.8
107.08612	0.8
109.02898	0.6
109.10139	0.4
117.03403	0.4
127.03911	0.7
129.03319	0.4
131.73572	0.3
133.10135	0.8
142.66655	0.3
145.02867	0.9
145.10072	0.4
147.04376	0.7
149.05992	0.4
149.09645	0.4
159.11734	0.5
163.03961	0.6
177.05453	2.1
189.03976	0.4
189.05392	2.0
203.05309	1.4
207.06566	0.5
221.11763	0.4
251.06897	0.9
259.07907	1.2
301.08942	0.4
305.08325	0.6
347.09500	11.7
347.13852	0.6
413.12207	0.5
575.17352	100.0
576.17755	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.7
53.54684	0.7
55.01873	0.9
56.96561	0.7
58.99854	1.0
62.38980	0.5
65.03934	0.9
68.98287	0.6
69.03412	1.7
69.41126	4.0
70.99831	0.7
72.57903	0.5
77.00907	0.9
79.05498	5.1
81.03411	1.1
82.99869	3.7
85.01398	1.5
85.02910	2.3
86.09738	0.5
86.99339	0.9
89.03902	0.8
91.05486	7.1
93.03356	0.6
94.99834	1.1
95.04990	1.0
95.49001	0.6
97.02889	3.6
98.20824	1.1
98.97571	4.9
101.00887	17.5
102.01000	0.6
103.02448	4.0
103.05486	1.2
103.93480	0.6
105.00339	1.2
105.03377	1.9
107.04979	0.7
109.02888	1.0
113.00864	4.9
115.02408	1.9
116.98621	1.2
117.04003	2.8
119.01929	28.5
119.04945	9.5
121.01642	1.1
121.03487	0.9
123.04440	0.9
127.02429	6.4
127.03889	1.1
129.00349	2.4
129.03358	2.5
129.69826	0.6
131.01923	12.4
131.04915	3.0
133.03493	3.4
133.06517	1.1
135.04408	2.0
137.02962	2.3
138.01686	0.7
139.02463	0.5
139.03807	0.8
142.43069	0.5
143.01904	64.8
145.03526	23.8
147.01405	7.8
147.04417	14.3
147.48286	0.6
148.04724	1.0
149.01237	0.8
154.47826	0.5
155.01898	14.1
156.02658	1.0
156.99837	0.6
157.03493	3.9
158.99637	1.3
159.05008	1.0
161.02966	70.2
161.05797	3.6
162.03014	0.9
163.02452	1.9
163.03946	8.3
165.00351	0.6
165.02406	1.1
165.05484	1.9
167.01913	2.0
168.04988	0.5
169.03493	2.5
171.01398	14.6
171.02789	0.7
171.04994	1.1
173.02954	11.9
175.02478	1.1
175.03816	5.5
177.00636	0.7
177.04094	1.1
177.05504	2.9
179.02214	1.1
179.04042	0.9
179.05614	1.5
179.07059	1.4
181.03477	12.6
183.01442	3.4
183.05086	1.4
184.04593	3.0
185.02974	5.6
187.02654	1.2
187.04501	5.0
189.02510	23.8
189.04019	2.6
189.05455	30.8
190.05782	1.0
191.02113	0.6
191.03935	0.7
191.05602	0.8
193.03453	1.7
193.04994	1.2
195.01283	0.9
195.05013	1.9
197.02982	2.3
197.06587	1.5
199.00810	3.1
199.04495	1.7
201.02428	1.6
203.04015	30.7
205.03502	11.4
205.05318	1.0
207.03423	4.9
207.05031	10.2
207.06598	4.6
209.03035	1.0
209.06578	1.1
211.00769	0.6
211.04588	2.0
213.02478	2.4
213.06100	1.1
215.01900	4.8
215.04022	1.4
217.01849	2.0
217.03697	2.7
219.04951	3.3
221.02983	4.1
221.05064	15.7
221.07018	1.1
223.04549	11.6
223.06544	0.9
225.02469	1.9
225.06085	2.3
225.07758	1.8
226.07860	0.8
227.03857	0.8
229.03481	1.7
231.03496	100.0
232.03658	1.4
233.02965	22.1
233.06584	1.5
234.03410	0.7
235.02470	0.8
235.04570	9.6
235.06697	1.4
237.06145	5.5
239.04199	3.6
241.05705	1.6
243.03435	2.8
245.02901	1.2
245.05098	3.3
247.04544	16.6
247.06989	1.2
248.05157	1.0
249.04408	12.6
249.06615	0.8
251.04022	8.6
253.05733	2.9
255.03584	1.9
255.07198	0.6
256.02060	0.7
257.02917	28.0
257.05136	3.0
259.04501	4.1
261.02325	1.0
261.06171	2.8
263.03876	1.2
265.05533	15.5
267.03577	0.8
267.07150	1.3
269.02728	4.8
269.05191	1.5
270.06146	0.7
270.18161	0.6
271.04517	1.8
272.06119	1.3
273.04483	15.2
275.03989	18.0
275.07132	1.7
277.05618	1.6
279.03745	1.2
279.07043	1.9
283.06946	3.1
285.02356	0.9
285.06268	0.7
287.03784	2.7
287.06540	8.0
289.05521	10.7
291.05508	17.5
293.05069	7.6
293.08173	1.1
295.06421	0.7
299.03976	0.9
301.05740	4.3
303.03674	0.8
303.07083	1.4
305.04993	2.1
307.06607	20.9
311.06265	0.9
313.01974	1.1
313.05460	1.5
315.05536	1.3
317.05090	5.9
319.06622	4.4
321.04459	0.9
325.07739	5.2
329.05051	1.8
330.08316	0.7
331.06598	3.8
333.06726	7.1
335.06143	1.6
337.07751	1.3
339.09546	1.1
345.04541	5.1
347.06107	1.2
349.07697	43.9
350.07898	0.8
351.07883	3.1
359.06113	4.0
361.07565	1.7
363.05545	2.1
363.09509	1.1
367.08850	1.3
377.07156	21.9
379.08807	2.8
381.09781	0.8
391.08606	2.2
393.10617	0.9
395.08182	19.7
401.07602	2.9
409.09747	8.0
413.08951	2.1
417.25305	0.6
418.09860	0.9
427.10831	8.3
437.09320	6.3
445.11917	2.7
449.09299	0.7
450.12772	0.8
455.10440	1.7
539.12476	2.7
557.04767	1.1
557.13470	22.3
575.14056	43.7
575.21198	2.9
575.26917	1.7
604.31531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
56.93485	1.0
57.01560	0.9
60.23479	1.0
67.02265	0.9
68.98288	1.3
69.03419	4.5
71.52441	1.0
71.92461	0.9
77.00904	1.4
79.05496	5.3
81.03404	1.4
82.99855	2.3
85.01427	1.5
85.02918	5.7
86.09656	1.1
86.99319	1.1
87.04479	1.1
91.05487	8.8
95.04992	1.3
97.02895	3.8
98.97585	4.5
101.00889	19.7
103.02454	4.5
103.05450	1.6
103.86787	1.0
105.00391	1.3
105.03411	1.1
107.04942	1.0
109.02869	2.3
111.04427	1.2
113.00880	4.2
115.02406	1.4
116.98615	1.3
117.04014	3.6
119.01928	23.4
119.04954	13.5
121.03554	1.4
127.02440	7.4
127.03925	2.5
127.94437	0.9
129.00357	2.2
129.03369	3.9
131.01924	9.9
131.04933	3.0
133.03493	3.0
133.06534	2.2
135.05113	1.8
140.74130	1.0
143.01907	65.3
145.01727	1.2
145.03510	21.8
145.04794	1.7
145.05006	1.4
147.01428	6.4
147.04405	17.3
148.04660	1.1
155.01901	13.1
156.02730	1.4
157.03482	3.3
158.99663	3.1
159.05112	1.1
161.02979	67.4
161.05820	5.0
163.02499	1.5
163.03976	1.7
165.05476	2.6
167.01906	2.2
169.03502	2.4
171.01416	17.3
171.02829	2.0
171.05066	1.6
173.02998	12.0
175.03897	6.5
177.00760	1.2
177.05479	3.2
179.07042	2.1
181.03456	11.7
183.01411	4.1
184.04527	1.4
184.18365	1.1
185.02997	3.5
187.02460	1.9
187.04553	5.5
189.02531	21.9
189.04117	2.1
189.05464	35.0
193.03481	1.2
195.05112	2.0
197.03044	1.2
197.06609	1.2
199.00938	2.3
203.02191	1.0
203.04028	25.0
205.03413	9.2
205.05074	1.1
207.03448	3.2
207.05043	10.3
207.06609	9.0
209.02919	1.6
209.06622	1.4
213.02435	2.8
215.01979	5.5
215.03824	1.1
217.01857	2.4
217.03693	2.2
219.01785	2.5
219.05121	3.6
221.02983	3.6
221.05109	13.7
221.06761	1.4
223.04520	9.4
225.02460	1.8
225.05952	2.3
225.07822	2.5
229.03468	2.5
231.03505	100.0
233.02950	21.7
233.06526	1.3
235.04642	6.9
237.02605	1.3
237.06030	5.2
239.04263	2.0
241.05592	1.4
243.03433	1.8
245.05170	1.8
247.04523	14.1
247.06679	1.8
248.05542	1.2
249.04358	11.1
251.04051	7.1
253.05746	2.0
255.03549	1.9
256.01813	1.1
256.04840	1.1
257.02933	26.6
257.05176	2.7
259.02667	1.7
259.04941	2.5
261.06131	3.3
265.05582	18.0
265.08212	1.3
269.02908	4.8
269.05429	2.2
271.04465	1.4
272.06110	1.4
273.04459	14.3
275.03952	20.1
275.06747	1.5
277.05472	1.4
282.55432	2.3
283.06659	3.2
287.03802	3.6
287.06714	5.9
289.05582	9.0
291.05508	17.2
291.56021	2.3
293.05118	6.9
293.08112	1.5
301.05508	4.2
303.03586	1.7
303.06952	1.7
305.05276	1.9
307.06659	20.1
312.07779	1.4
313.02054	1.1
317.05124	4.7
319.06665	2.9
325.07700	4.7
331.06686	2.9
333.06604	6.5
335.05872	1.5
343.06802	1.5
345.04721	4.2
349.07687	41.8
351.07758	3.2
359.06302	3.5
363.09274	2.4
377.07217	20.1
379.08768	1.5
391.08759	2.0
395.08170	19.0
409.09683	6.7
413.09302	2.2
427.10913	7.5
437.09235	5.5
445.11993	2.7
489.36816	1.0
531.37421	1.0
539.12244	2.4
557.13629	21.1
575.14539	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.0
53.03952	2.6
55.01876	8.8
55.05263	1.9
55.05509	17.0
57.03442	13.1
57.07078	38.3
59.05000	1.9
67.05509	27.7
67.60894	1.2
69.03424	1.2
69.07073	11.6
69.19964	8.4
71.01350	4.2
71.04978	3.2
71.08634	25.4
78.05833	0.9
79.05492	18.2
81.03415	20.8
81.06592	1.8
81.07055	24.0
83.01332	4.9
83.04986	15.9
83.08624	13.6
85.02897	5.6
85.10187	14.6
87.04478	8.6
89.06015	2.3
91.05483	12.3
93.07043	25.3
95.04965	8.9
95.08607	28.3
97.02890	8.1
97.06541	7.8
97.10167	4.8
98.66762	1.1
99.11755	1.4
105.07032	6.7
107.04958	13.6
107.08591	11.8
109.06470	2.2
109.10168	14.6
111.04444	7.0
111.08085	2.6
111.11747	1.4
117.07026	9.0
119.08589	9.6
121.06518	3.7
121.10162	10.0
123.08067	4.6
123.11707	3.4
125.05991	1.8
125.09711	1.5
129.06995	2.1
130.07774	1.2
131.08592	5.3
133.10162	1.6
135.08031	2.3
135.11705	12.7
137.09633	2.3
145.10132	14.4
147.08034	3.5
149.09602	2.2
153.12759	14.8
155.08650	1.6
163.11182	31.6
165.09108	1.5
173.09647	5.9
181.12231	5.5
191.10701	9.7
209.11720	23.5
220.40378	1.1
227.12782	16.1
239.23683	2.4
257.24683	3.4
265.14368	7.5
283.15411	17.1
300.15381	1.5
301.16473	67.0
313.27368	100.0
314.27615	1.9
376.15628	1.2
407.33383	1.2
448.09784	1.1
503.37140	4.8
521.38379	38.3
539.39423	60.1
574.39758	1.3
583.04199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01861	3.9
55.05511	14.6
57.03445	7.0
57.07067	3.1
59.05011	1.8
61.02926	11.2
65.03928	2.7
67.05509	25.8
69.03088	2.3
69.03435	29.3
69.07069	22.1
71.04978	4.1
71.08634	2.5
73.02909	3.4
79.05497	22.1
81.03414	17.7
81.06592	3.1
81.07059	54.0
83.01348	1.7
83.04993	1.7
83.08630	12.1
85.02908	100.0
85.10172	1.5
87.04467	7.6
91.03954	2.9
91.05480	22.5
93.06486	2.7
93.07046	39.8
95.04971	4.7
95.08610	63.6
95.67039	1.4
97.02890	30.9
97.06564	2.5
97.10165	9.8
98.20742	3.8
99.04456	5.4
99.08096	25.3
101.02424	1.6
105.06322	1.8
105.07037	37.8
107.08596	44.1
109.02885	10.7
109.06512	1.7
109.10160	49.3
109.42918	1.3
111.11717	3.2
113.09671	2.4
115.03937	2.3
117.07002	6.4
119.08591	43.2
121.06565	1.3
121.10153	34.0
123.11706	25.2
125.09631	3.9
127.03932	20.6
128.06190	1.6
129.06998	3.2
131.08586	16.1
133.10139	55.3
135.11703	27.9
137.13263	17.1
139.11179	4.7
141.06973	2.1
143.08553	8.8
145.04951	16.8
145.10129	20.4
147.11691	28.9
149.13271	22.7
151.14845	4.4
155.08571	3.3
157.10095	10.6
158.10811	1.9
159.11687	16.8
161.13295	14.5
163.11328	1.6
163.14854	17.7
169.10139	5.5
171.11693	11.1
173.09631	1.5
173.13278	11.5
175.14839	13.9
177.16408	10.0
181.10149	2.1
181.15858	6.8
183.11685	3.8
185.13171	7.5
187.14838	38.5
189.05486	6.3
189.16380	16.9
191.17975	15.0
193.15869	7.5
193.19551	8.4
195.11632	2.6
197.13222	3.8
199.14839	4.6
201.16374	18.4
203.17963	62.5
205.15926	4.4
205.19371	3.1
207.17516	3.7
207.21027	2.8
211.14801	3.4
213.16447	6.8
215.17967	6.1
217.19553	5.4
219.17523	2.8
219.21170	2.4
221.19014	62.6
223.14973	1.7
225.16457	2.9
226.17191	3.1
227.18027	8.4
227.20078	1.5
229.19539	15.8
229.55560	2.0
231.17575	1.6
231.21104	4.6
239.17928	1.7
241.19574	8.3
243.21078	2.5
245.19028	3.5
253.19759	1.6
255.21071	5.5
257.22684	1.9
259.20636	3.7
261.22137	2.9
267.20911	1.7
269.10580	2.6
269.22751	9.1
273.22168	4.4
275.23709	2.2
285.09967	2.3
295.24359	1.5
301.14221	2.7
309.25769	2.3
323.27469	6.7
327.26913	1.7
365.23337	1.7
383.24420	2.3
393.35260	5.9
409.34641	2.7
411.36230	86.3
477.20239	1.5
537.39099	3.3
555.28894	1.9
555.40759	1.9
573.32288	4.4
573.41486	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	571.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06123	3.9
67.05500	0.4
72.82710	0.3
79.05473	0.5
87.30849	0.3
98.05314	0.3
120.08072	0.8
128.23137	0.4
143.67241	0.3
147.15344	0.4
189.05472	0.9
213.86476	0.4
263.99850	0.4
409.25577	2.3
457.20422	3.8
471.21890	2.0
571.30878	100.0
572.31134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
53.70542	1.3
55.01891	1.0
55.05503	3.1
57.03439	3.2
67.05508	2.2
68.28211	1.1
69.03143	1.0
69.03441	12.5
69.07074	1.8
70.06578	3.5
71.55493	1.2
71.55881	1.5
73.02914	1.1
73.79446	1.0
75.04478	3.8
79.05502	16.5
81.03418	9.1
81.07071	5.8
85.02910	9.0
86.09695	1.1
87.04459	1.9
89.03903	1.6
91.05476	13.8
93.07048	80.7
95.04951	2.6
95.08614	2.7
97.02906	9.1
97.06520	2.4
99.04430	2.5
105.07046	8.3
107.04931	1.1
107.08595	14.0
109.02881	5.8
111.04434	1.6
111.08097	3.5
119.04865	1.3
119.08595	11.0
120.34821	1.2
121.06488	2.3
121.10151	100.0
123.08072	1.1
123.11730	1.2
127.03928	6.5
131.08571	8.3
135.04462	1.7
137.06007	2.4
139.11168	3.8
145.02820	1.3
145.04967	2.7
145.10181	1.2
147.04373	1.9
147.08035	1.2
149.09628	41.8
163.03926	8.0
167.10680	24.3
189.05470	4.0
190.05734	2.2
209.04402	2.3
218.57788	1.1
225.88721	1.2
245.11943	1.2
259.09564	1.2
273.54529	1.4
275.12906	1.2
283.15491	1.1
293.13806	13.6
311.14896	30.7
329.16107	1.2
572.20081	1.4
572.27783	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	573.3422
Annotation	13beta-Hydroxymilbemycin D
Peak:m/z	Relative Intensity
53.03943	4.5
55.01871	11.2
55.05510	27.4
57.03435	5.5
57.07078	2.3
59.04985	2.1
65.03936	1.9
67.05502	33.9
69.03430	9.8
69.07067	26.0
69.83456	4.0
71.01337	1.0
71.04983	4.6
71.08621	0.8
79.05492	36.8
79.56377	0.8
81.03418	13.4
81.07056	34.3
82.43582	0.7
83.01346	4.2
83.04980	10.3
83.08612	12.5
85.02888	2.0
85.06533	1.8
91.05484	26.7
93.07043	34.3
93.07639	1.8
95.01372	1.1
95.04964	11.9
95.08604	18.4
97.02891	10.3
97.06546	6.4
97.10170	11.3
99.04446	1.5
103.05448	1.9
105.04515	1.3
105.07027	19.4
106.86467	0.8
107.04959	15.0
107.08588	17.2
109.02882	1.8
109.06527	7.1
109.10149	9.1
111.02168	0.8
111.04495	1.9
111.08054	4.5
115.05463	2.0
117.07013	11.8
119.04947	1.1
119.08583	18.2
119.09331	0.6
121.06513	6.3
121.10144	11.2
123.04445	1.2
123.08065	7.4
125.05994	1.5
125.09621	8.1
125.57294	0.8
128.06241	1.6
129.06992	4.5
130.07788	2.2
131.08566	11.9
133.06483	2.9
133.10139	8.3
135.07225	0.9
135.08047	3.9
135.11690	10.1
137.09610	3.9
141.07005	1.9
143.08585	6.6
145.06505	2.5
145.10133	13.3
147.08044	7.7
147.11705	3.6
149.09622	2.7
149.13272	2.5
151.11183	1.7
153.09100	1.5
153.12744	3.4
155.08556	2.3
157.10094	4.1
159.08076	1.9
159.11667	5.6
161.09615	3.8
161.13254	1.4
162.10362	1.0
163.11162	12.6
165.09114	1.2
165.12828	0.8
167.08539	1.4
169.10146	1.8
171.11696	3.3
173.09653	2.8
173.11790	1.2
173.13219	1.5
175.11229	2.9
177.12773	2.0
181.10185	0.8
181.12242	3.0
183.11652	1.8
185.13274	1.1
187.11148	1.0
189.11209	3.5
189.12724	1.1
191.10728	1.3
193.10081	0.8
193.12178	1.1
195.13799	1.0
197.13301	1.0
199.11121	0.9
205.12207	2.3
209.11658	4.8
213.12871	0.9
223.13263	16.2
227.12714	6.3
227.17885	0.9
237.16483	1.0
245.19041	1.4
249.14923	1.2
250.16728	0.8
255.17416	1.5
273.18506	18.9
273.21289	1.6
275.20096	2.8
283.15442	6.6
289.18225	0.9
291.19531	93.0
309.20718	1.3
311.20004	1.0
329.21140	1.4
344.46783	0.8
347.22159	2.3
365.23486	1.7
415.23001	0.8
456.29437	0.8
463.28314	1.1
537.32129	1.0
545.34503	1.8
555.33099	6.5
573.34186	100.0
573.48810	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75948	0.7
53.03947	3.2
55.01856	2.5
57.03434	3.4
61.02931	5.3
65.03938	2.0
67.05484	0.7
69.03091	0.8
69.03436	11.6
69.07076	1.0
70.06596	1.0
71.04993	2.3
71.55978	0.8
71.56350	0.9
73.02913	3.5
79.05491	3.5
81.03436	5.6
81.07063	1.2
85.02909	72.5
86.09711	2.1
87.04506	1.3
91.03979	3.6
91.05486	100.0
93.07068	0.9
95.05000	0.9
95.08638	0.7
97.02901	20.2
97.06525	0.9
99.04466	2.7
107.04961	69.6
107.08594	1.3
109.02885	5.8
109.10170	0.8
119.08598	1.2
125.00029	1.1
127.03915	19.0
128.87813	0.7
137.06015	1.0
145.04968	38.3
147.04408	1.5
158.47151	0.8
163.03969	1.7
163.06029	9.1
167.07120	1.1
184.07358	5.5
189.05499	4.2
190.05861	1.5
229.08665	4.5
231.82153	0.8
290.22156	0.7
298.08121	0.8
300.35992	0.7
303.09940	0.6
309.17099	0.9
325.11615	1.2
395.73383	0.8
485.35925	0.7
570.12646	4.4
570.20862	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77007	0.3
53.03929	0.3
55.05505	0.5
56.05011	0.3
57.07080	5.5
58.06598	1.6
65.03933	0.4
67.05499	0.4
68.05017	0.4
70.06593	15.6
71.08626	1.8
71.55873	0.3
74.06061	0.4
77.03938	0.3
79.05476	0.4
81.07051	0.6
83.08587	0.3
85.10153	0.7
88.07632	17.9
93.07030	0.4
95.04967	0.6
95.08614	0.5
95.15160	0.3
102.09183	15.3
103.05471	0.3
103.23003	0.3
105.03392	12.8
107.08552	0.5
109.10169	0.4
131.04979	0.6
135.11745	0.3
144.48734	0.3
147.04402	0.5
149.02359	10.7
149.05983	56.2
159.11542	0.3
175.03877	0.5
181.06532	1.8
181.07939	0.3
193.03302	0.5
193.04970	9.7
212.23689	0.8
219.06502	0.5
256.26352	42.8
257.26733	0.3
265.84424	0.3
297.07568	12.2
341.10205	53.1
466.91168	0.3
552.33270	0.4
570.34241	100.0
571.34497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77584	0.3
53.03942	0.3
56.23728	0.2
60.58851	0.3
63.12244	0.3
69.58720	1.8
74.58943	0.3
79.05498	0.6
80.95567	0.3
85.02925	0.6
91.05486	2.1
93.07039	1.1
95.04989	0.7
98.97592	0.6
103.05468	6.4
107.04937	1.6
119.04985	1.4
120.08109	100.0
121.08434	0.4
123.04429	0.3
131.04913	2.2
132.98558	0.3
133.06430	0.3
137.05974	0.3
147.04413	3.1
149.06006	2.2
158.99657	0.3
161.06007	0.3
166.08644	53.2
175.03903	1.7
179.06987	0.3
189.05438	1.9
193.04965	0.6
207.06493	2.0
220.82806	0.3
225.07567	1.9
256.07196	0.3
298.82263	0.3
415.25641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28952	0.6
69.03421	1.7
69.83709	2.7
69.84116	1.4
70.06605	0.7
71.04993	0.7
74.63223	0.6
77.76490	0.6
78.68520	0.6
79.05505	1.4
81.03397	3.2
85.02908	1.6
89.03931	3.3
91.05474	0.9
93.07066	1.6
94.16734	0.6
95.04940	0.8
95.08551	0.8
97.02894	0.9
103.05466	1.4
105.07039	3.3
107.04914	0.6
107.08604	3.2
109.02891	1.3
117.03382	9.7
119.04985	0.7
119.08566	1.3
121.06505	2.0
121.10239	0.8
124.07608	1.0
127.03936	0.7
127.21046	0.7
130.28566	0.6
133.10129	0.8
135.04387	1.7
135.08061	1.0
137.05971	1.1
145.02852	29.6
149.05998	7.1
153.09128	1.0
159.04402	1.4
163.07536	2.8
167.07030	1.1
175.14752	1.1
177.05475	100.0
181.08582	1.8
195.06522	3.9
321.09641	2.1
325.12952	0.9
339.10776	5.7
361.02148	1.2
441.89420	0.6
498.48849	0.6
569.25348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58636	0.4
56.96562	1.0
57.03418	0.7
60.40059	0.4
64.64373	0.5
65.03928	0.8
67.05498	0.7
69.03416	1.9
71.54330	0.5
73.02911	1.0
77.26473	0.4
77.94807	0.4
79.01527	0.4
81.03418	0.9
83.69286	0.5
85.02920	3.5
87.04456	0.4
91.05488	3.2
95.04984	0.8
97.02914	2.8
98.97567	0.7
101.00859	1.0
109.02909	0.8
113.00854	1.0
116.98836	0.6
119.01893	1.9
119.04942	4.3
122.97874	0.5
127.03899	1.9
129.03357	2.1
131.01910	1.5
131.04889	0.6
133.03470	0.5
133.06439	0.9
134.99895	3.0
135.04393	0.6
140.98877	0.6
143.01933	2.1
145.02846	2.1
145.04935	1.2
146.03674	0.6
147.04390	5.5
153.00938	1.0
155.01889	1.4
157.03488	0.9
158.99901	2.8
161.03003	1.1
161.05934	1.9
162.99384	3.2
163.03835	0.7
163.53802	0.5
164.98950	0.9
165.05463	0.9
169.03497	0.6
170.99902	0.5
173.02989	0.8
175.03928	2.5
177.00967	18.9
177.05469	2.1
178.01089	0.5
179.07054	0.9
181.03429	0.6
182.99919	1.5
185.01505	0.8
185.02998	1.4
186.99326	1.4
189.00946	1.8
189.04008	0.8
189.05472	17.2
190.05789	0.9
190.98894	1.0
191.02448	0.7
193.04944	0.8
194.99986	0.5
195.04919	0.5
196.05801	1.3
197.03017	0.7
201.00943	14.8
201.02397	0.6
203.02498	9.3
203.04115	1.2
205.00450	6.4
205.03436	0.9
207.01414	1.0
207.04932	1.1
207.06580	7.8
213.00923	5.1
215.02524	12.8
217.04176	1.0
219.02008	29.9
221.05075	1.5
223.06573	0.9
225.00797	8.1
225.07620	2.0
227.02475	5.3
229.00488	3.6
229.04065	1.7
231.01932	6.2
233.03517	3.8
237.00829	2.4
239.02570	1.4
241.00420	2.0
241.03891	0.9
242.03459	0.6
243.02010	100.0
244.02179	1.7
245.03372	3.4
247.01512	1.8
253.04134	1.1
254.57683	0.7
255.02014	24.9
257.03345	1.8
259.01465	0.8
261.03076	43.8
263.02548	1.5
265.04050	2.0
266.03595	1.6
267.02075	2.0
269.03604	0.8
271.01416	1.0
273.03052	12.4
275.02130	1.0
276.07761	0.5
277.04047	1.9
279.01938	1.7
279.05780	0.9
279.09073	0.8
281.03476	2.1
283.01624	1.1
285.03033	18.2
286.09607	0.5
287.02573	2.1
289.04230	3.1
291.01620	0.8
291.05823	0.6
293.03549	1.0
295.01569	0.6
295.05164	0.7
297.03079	1.8
297.06250	0.5
299.02417	0.9
301.04044	1.8
303.04175	33.3
305.03177	4.4
307.05106	2.5
309.03101	1.4
315.01572	2.3
317.03281	3.7
319.05099	2.0
321.05411	5.6
323.04587	1.4
326.05496	0.8
327.04910	0.9
329.03467	2.2
331.04343	3.2
333.03125	3.9
335.04492	2.5
341.03580	0.8
343.05215	0.8
345.05316	12.9
346.09726	0.6
347.04471	8.7
347.10382	1.2
351.04083	1.6
353.24045	0.5
357.02969	4.7
359.04572	2.5
361.06348	0.8
363.06326	14.1
365.05716	5.1
366.60995	1.4
367.11163	0.5
369.02939	1.3
371.04752	2.0
373.05688	0.6
375.04169	4.0
377.05743	1.0
383.06094	0.6
388.11191	0.5
389.05725	7.8
393.05045	1.3
393.12250	2.5
399.04193	6.3
401.05759	4.5
407.06659	5.8
409.09766	0.5
411.04013	1.3
412.07446	0.7
413.05750	1.0
417.04980	0.7
419.06543	2.9
425.07471	1.3
431.06711	6.8
441.05573	0.8
443.06595	1.5
449.07983	5.0
459.06406	2.3
461.07968	1.0
465.07001	1.1
467.08990	1.1
473.07672	1.5
477.07288	1.8
479.08868	0.7
491.08929	4.6
495.08276	1.0
509.08878	3.0
509.16220	7.5
527.11310	2.2
551.11066	5.7
569.11908	10.3
587.12958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.03947	3.0
55.05507	9.3
55.14840	0.8
57.07085	6.5
57.25504	0.9
59.04988	1.2
65.03937	2.3
67.05508	15.7
69.03419	2.4
69.07068	9.4
70.84576	2.3
71.04993	1.0
71.08643	1.1
77.03916	1.6
78.04699	1.4
79.05069	1.7
79.05492	20.1
80.06249	4.1
81.07056	32.7
81.07537	1.6
83.04976	3.1
83.08622	4.9
85.06543	4.0
91.05481	40.8
92.06277	1.6
93.07044	49.6
93.15925	0.8
94.07829	2.6
95.04970	35.4
95.05576	2.0
95.08609	28.6
97.06550	2.2
97.10165	1.7
98.14439	0.8
103.05476	3.1
105.04535	1.5
105.07033	74.3
106.07863	4.2
107.08600	42.1
107.09186	0.7
108.09380	1.7
109.06522	3.4
109.10156	18.4
111.08088	2.6
115.05447	5.2
116.06241	1.9
117.07014	27.6
118.07862	2.1
119.08583	100.0
120.09409	9.3
121.06554	2.4
121.10143	30.4
123.08066	14.8
123.11714	5.4
125.09639	2.6
128.06213	10.2
129.07008	18.0
130.07800	9.2
131.08566	48.5
132.09369	12.0
133.10132	56.1
134.10936	6.7
135.08026	6.1
135.11702	19.2
137.09642	5.7
138.10400	7.6
139.11134	2.4
141.06039	1.1
141.06963	6.1
142.07767	14.3
143.08563	43.3
144.09346	12.5
145.10124	90.0
146.10901	6.9
147.08058	2.4
147.11690	23.7
149.09605	6.6
149.13290	3.8
151.11165	4.8
151.14832	1.5
153.07001	2.3
154.07776	2.6
155.08563	15.1
156.09349	19.7
157.10132	47.1
158.10950	8.9
159.08061	2.6
159.11687	37.2
160.12437	3.3
161.09641	5.8
161.13255	7.4
163.11238	3.7
163.14896	1.3
165.06929	4.4
166.07776	1.7
167.08582	8.5
168.09341	5.5
169.07886	1.0
169.10118	29.8
170.10922	9.5
171.11688	34.8
172.12466	7.7
173.09674	1.6
173.13255	27.5
174.13911	1.3
175.11246	2.4
175.14841	20.0
177.12813	5.6
178.07899	1.0
179.08563	8.6
180.09315	4.8
181.10138	13.6
182.10907	7.6
183.11693	26.6
184.12463	4.2
185.13252	25.7
186.14034	6.7
187.11200	1.9
187.14810	15.0
189.12799	5.0
189.16519	2.2
191.14279	11.3
192.09344	2.6
192.15044	2.0
193.10149	8.1
193.15955	2.3
194.10889	7.3
195.11690	16.8
196.12430	7.6
197.13255	29.1
197.15053	1.5
198.14021	6.2
199.14838	11.7
200.15588	2.5
201.12717	4.4
201.16386	6.1
203.14328	2.8
204.15099	1.7
205.10124	1.6
205.15903	2.2
206.10945	3.5
206.16647	0.9
207.11690	10.9
208.12459	2.9
209.13257	22.5
210.13939	2.5
211.14828	16.6
212.15620	2.1
213.12805	1.1
213.16341	6.3
215.14436	2.1
217.10100	1.0
217.15900	5.6
218.16748	1.3
219.11612	1.5
219.17532	2.6
220.12314	1.8
221.13297	7.1
222.14070	3.7
223.14832	12.3
224.12071	0.9
224.15678	3.5
225.16383	8.0
226.17166	2.5
227.14398	1.4
227.18040	2.2
231.11752	2.0
231.17473	1.9
233.13290	3.7
234.14107	2.0
235.14793	6.5
236.15605	2.0
237.16423	8.9
238.17285	2.1
239.17920	5.0
241.19617	2.3
243.17506	1.1
245.13127	1.2
245.19051	2.0
246.14151	1.6
246.19997	1.6
247.14801	3.0
248.15636	1.2
249.16345	5.4
251.17906	4.6
253.19511	2.4
255.17485	1.3
255.21268	1.5
257.19159	2.7
259.14777	1.2
259.20706	2.4
260.15714	1.4
261.16489	4.0
263.17926	5.0
265.19470	4.2
267.21060	1.8
269.19089	1.8
270.19684	2.0
271.20596	1.1
272.21344	2.0
273.16418	1.9
275.18091	3.0
276.18518	1.1
277.19543	3.0
278.20480	1.4
279.21143	2.2
283.15155	1.1
283.20627	3.2
284.29361	1.3
285.22134	2.8
289.19629	1.4
291.20978	2.0
297.22189	3.1
301.19339	1.0
305.22833	3.2
309.22192	1.5
311.29620	1.4
319.24191	1.4
320.24942	1.1
323.23727	5.9
329.22705	1.0
331.24332	2.2
335.23831	1.1
336.24698	1.5
337.25354	4.2
338.26016	45.9
339.26740	2.0
343.23996	1.0
349.25290	2.2
351.26901	1.9
357.26035	1.1
362.25903	1.3
402.29379	1.2
415.30096	2.7
420.30255	2.7
430.32346	17.4
430.38013	1.4
458.35245	1.1
465.52814	0.9
476.36554	23.2
489.37384	1.6
550.41321	2.5
568.42780	43.5
568.56793	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	568.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.5
55.01869	4.2
55.05502	10.5
57.03441	11.9
57.07066	3.5
61.02919	5.8
67.05498	9.3
68.91600	2.4
69.03432	25.5
69.07067	16.8
70.55612	4.8
70.55978	3.6
71.01372	3.1
71.04994	17.3
73.02920	30.2
73.35105	2.1
79.05492	23.7
81.03400	5.7
81.07061	97.1
83.04990	5.0
83.08607	6.3
85.02917	39.0
86.09698	5.2
90.05550	3.0
91.05495	17.2
93.07053	40.4
95.02975	2.3
95.04980	5.8
95.08599	28.6
97.02891	35.2
97.06528	6.7
97.10188	2.5
99.04446	4.6
99.08097	5.5
105.07036	54.3
105.29628	2.4
106.07348	3.1
107.08598	49.1
108.43504	2.1
109.02878	5.8
109.06499	3.2
109.10159	39.2
111.04420	3.0
111.11714	3.4
115.03928	24.9
116.03429	3.2
117.07021	7.3
119.04932	3.1
119.08584	83.6
121.10155	12.8
123.11704	18.8
124.07577	4.0
125.09653	4.0
127.03914	13.2
127.11203	29.4
133.04997	9.3
133.10126	42.0
135.11696	100.0
136.06236	2.4
137.09653	2.9
137.13300	4.8
143.10677	34.4
145.02803	3.0
145.04974	15.9
145.10124	6.4
147.04402	10.3
147.11700	28.7
149.13237	8.9
153.12698	9.4
159.11740	2.9
161.13269	16.6
163.03882	16.9
163.06033	6.2
163.14827	4.6
166.08655	3.2
167.06993	3.3
171.11670	2.4
174.71606	2.5
175.14798	4.3
177.05513	5.3
177.16441	3.0
181.05029	2.5
189.05421	3.4
201.16151	2.4
202.10779	11.1
203.17981	74.3
216.03461	2.2
219.17609	3.4
221.19020	84.8
230.10304	2.5
239.20065	7.5
241.07149	4.7
241.09688	5.5
259.07999	12.7
281.09167	2.9
295.10217	24.3
299.10330	6.5
300.10840	3.3
313.11832	3.8
328.13852	8.0
335.09247	3.0
365.23615	2.6
373.13934	19.1
401.13278	3.9
568.19495	8.4
568.32324	3.2
569.16461	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	14.2
63.45370	0.4
67.05486	0.7
69.32915	3.5
71.95279	0.7
72.96050	0.9
79.05478	0.4
81.07069	0.7
84.96058	0.7
95.08623	1.0
98.97581	2.5
107.68446	0.4
109.10140	0.6
110.97572	1.0
112.99133	1.1
115.00716	0.7
116.98637	1.2
128.98640	0.9
131.00191	1.5
135.11751	0.4
137.02846	0.7
149.01251	0.5
155.03879	0.5
163.04274	0.4
165.02266	0.6
168.20699	0.5
182.64795	0.4
183.03378	0.5
185.04955	0.4
197.04849	0.6
205.05363	0.5
209.04974	0.8
221.04897	1.1
223.06526	0.8
227.05893	1.1
239.06001	0.7
241.07654	0.4
247.06297	0.5
249.08105	0.6
251.09572	1.0
263.09641	1.0
269.10638	0.8
291.12817	0.7
321.18878	0.5
325.14963	0.9
343.15823	1.0
371.19281	0.6
383.18954	0.8
390.10681	0.5
411.22580	0.5
413.24228	0.5
421.24081	0.6
429.23532	0.6
431.24863	1.4
433.24191	1.5
439.25208	0.6
449.27332	0.8
451.25192	3.2
461.27301	1.7
467.28494	0.8
469.26157	3.0
473.27475	2.0
479.28006	3.3
483.31638	0.9
487.27393	0.8
491.28220	4.5
497.29437	4.7
509.29370	10.3
509.36282	0.8
515.30511	0.8
527.30444	53.2
545.31531	100.0
546.31769	0.7
550.31927	1.1
563.40479	0.5
568.33002	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	568.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.9
55.05501	7.9
55.72468	1.9
57.03437	5.7
57.07077	2.9
61.02915	1.9
67.05517	12.8
69.03434	13.1
69.07063	4.4
69.52027	4.2
69.52448	8.7
71.04980	5.9
73.02920	4.9
75.04493	3.4
79.05482	10.0
81.03412	8.8
81.07052	19.0
83.04979	19.1
83.08624	7.5
85.02905	33.3
85.06538	9.3
86.06075	2.6
87.04474	4.9
91.05489	15.4
93.07047	18.9
95.04970	31.3
95.08587	11.8
97.02887	9.2
97.06542	17.7
98.06071	3.0
98.20821	2.7
98.97571	2.4
99.04459	11.3
99.08066	2.5
104.07117	4.7
105.07030	20.9
107.08596	32.2
109.02863	5.1
109.06531	32.8
109.10156	30.3
111.04432	2.3
111.08077	5.9
115.07571	8.6
119.04964	5.9
119.08587	15.3
121.06512	3.6
121.10145	28.5
123.08062	3.5
123.11703	7.5
125.09650	6.2
127.03910	13.2
131.08572	22.2
133.10130	57.0
135.08067	10.4
135.11665	17.0
137.05974	3.9
137.09645	3.2
139.11159	5.0
143.08572	3.1
144.09315	2.0
145.04968	7.3
145.10120	13.7
147.04420	9.4
147.08046	5.0
147.11691	20.3
149.09599	8.5
149.13249	16.1
151.11169	8.7
153.09093	18.4
158.10916	4.8
163.06061	3.5
163.14842	6.2
165.12727	4.3
167.07019	4.2
167.10670	5.4
167.14288	3.9
171.10185	2.5
173.13266	61.5
175.03908	8.3
175.14813	16.4
177.05489	2.6
189.05482	7.6
191.10680	9.1
191.14307	58.5
193.05038	3.6
193.15836	3.2
206.04631	2.8
207.06540	9.7
209.07733	2.0
209.11876	7.6
209.15364	100.0
225.07637	9.1
227.12918	4.3
227.16418	52.6
241.08542	2.6
262.20236	2.3
269.13895	3.6
317.13803	2.5
335.14804	13.8
353.15820	4.8
353.19669	2.4
371.17053	12.0
401.32034	2.3
550.28558	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	567.4202
Annotation	3'-dehydrolutein
Peak:m/z	Relative Intensity
53.03947	5.2
55.05520	12.9
57.07081	13.1
58.11259	2.3
59.87483	2.3
67.05521	28.9
69.03455	5.2
69.07072	26.5
71.08640	4.2
79.05499	27.4
79.38971	3.0
80.81926	2.5
81.07059	39.4
83.04986	4.1
83.08628	11.7
83.64520	2.5
89.06042	3.7
91.05491	41.6
93.07050	62.1
94.07351	2.8
94.07925	2.7
95.04987	9.7
95.08612	50.7
95.79072	2.7
97.10177	4.0
103.05505	4.0
105.07040	61.0
105.07694	4.2
107.08607	74.2
109.06538	8.2
109.10172	43.0
115.05490	6.7
117.07067	14.7
119.08590	78.2
121.06544	2.8
121.10153	61.9
123.02000	2.5
123.08121	3.2
123.11703	22.8
128.06265	4.5
129.07025	7.6
131.08601	22.2
133.10132	58.2
135.08092	3.6
135.11700	78.8
137.09636	6.9
137.13284	4.5
141.07025	5.0
142.07793	9.9
143.08554	22.7
145.10127	53.0
147.11703	20.0
149.09711	3.4
149.13304	6.2
153.06993	3.3
155.08611	7.4
156.09369	7.8
157.10153	32.8
158.10825	3.0
159.08090	5.4
159.11723	20.7
161.09673	5.0
161.13283	11.2
163.11243	11.1
165.07048	3.5
167.08614	5.7
167.94777	3.0
168.09325	3.0
169.10085	15.8
170.10962	4.1
171.11699	25.9
173.13275	24.4
175.11331	4.0
175.14833	37.7
177.16502	3.1
179.08572	7.0
180.09326	3.7
181.10201	7.1
182.10870	5.6
183.11729	15.5
185.09660	4.7
185.13248	14.2
187.14847	20.6
189.16414	8.1
193.10130	6.6
194.10977	3.7
195.11778	13.9
196.12520	4.6
197.13301	17.9
199.11220	3.2
199.14813	13.1
201.16425	15.2
205.15959	4.0
206.10959	7.3
207.11768	12.0
208.12610	5.0
209.13338	17.8
211.14861	9.7
212.15486	2.8
213.12846	2.7
213.16270	13.5
215.18036	5.7
219.11858	3.5
221.13326	6.3
223.14864	11.4
225.12770	5.0
225.16455	6.7
227.12866	10.5
231.11810	3.3
233.13322	5.8
233.15434	5.4
235.14911	9.7
236.15564	3.0
237.12663	4.2
237.16508	5.6
239.14348	7.6
239.17972	6.3
241.15884	3.8
241.19670	8.3
246.13930	3.5
247.14906	6.5
249.16397	6.1
251.14313	6.1
251.18036	4.8
253.19662	6.6
255.21022	4.6
257.19131	3.7
261.16504	5.9
263.17941	4.4
265.19580	5.0
267.21286	4.1
273.16370	3.8
275.17905	4.8
277.19449	5.1
283.15323	4.4
283.20706	4.1
291.17429	3.2
299.17917	3.9
307.20795	3.2
333.25983	3.7
341.30695	10.6
345.25748	3.4
361.25479	5.3
395.27167	3.2
413.28427	4.4
427.29996	8.2
445.31400	3.1
539.42896	3.8
545.66394	3.0
549.41132	30.5
567.41943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24710	0.3
55.05519	0.4
57.03422	0.8
67.05503	1.3
69.58436	1.8
69.58853	0.5
71.04999	0.5
79.05482	1.3
81.03425	0.9
81.07056	1.6
83.04967	0.7
83.08607	0.7
85.02923	0.7
91.05492	1.7
93.07019	1.8
94.25338	0.4
95.04974	0.8
95.08617	1.0
97.06541	0.6
98.21480	0.8
98.39471	0.3
99.44592	0.3
105.07037	1.6
107.08600	0.9
111.08085	0.5
113.05975	0.4
119.08595	0.9
121.10165	1.3
129.06958	0.9
131.08578	1.0
133.10153	0.9
147.11691	0.7
149.09618	0.5
157.10141	0.6
163.14842	0.9
193.12285	0.7
203.18004	0.4
233.11525	0.4
251.12474	1.7
255.21156	0.4
267.15808	0.6
283.15189	9.6
285.17151	0.4
307.15182	1.6
339.17737	4.9
381.35208	0.4
477.24579	1.2
512.47699	0.4
567.31396	100.0
568.31940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.05498	0.9
65.90923	0.4
66.21310	0.3
66.51402	0.3
67.05514	4.0
69.03433	1.1
69.07048	0.6
70.78416	0.4
79.05477	1.3
81.03433	2.7
81.07035	1.8
83.01111	0.5
83.08614	0.7
85.02892	0.5
91.05464	0.8
93.07011	1.3
95.08617	0.6
97.06536	0.5
105.07020	0.6
107.08586	0.9
109.10161	2.1
111.04459	0.6
119.08570	0.7
121.10119	0.8
124.00928	0.5
125.09653	0.5
127.03905	0.5
131.08545	0.7
135.11749	0.4
149.13191	0.7
173.11716	0.4
185.04208	1.1
201.03757	0.7
203.05199	1.8
250.47945	0.4
251.12434	0.7
259.07825	1.6
299.14844	0.5
307.15329	0.5
331.10019	2.5
331.18497	0.7
373.14709	1.2
387.21201	1.1
405.22192	1.1
455.18802	1.4
469.20355	4.0
498.20203	0.5
549.26727	20.7
567.27570	100.0
568.27814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
67.05495	1.7
69.39432	3.2
79.05488	1.0
79.69633	0.4
80.94546	0.5
81.03415	1.2
81.07050	1.4
85.02911	1.3
87.58310	0.6
91.05460	1.3
93.07066	1.0
104.31204	0.5
105.07014	0.7
107.08628	0.8
108.85197	0.4
119.08588	0.8
121.10149	0.8
129.03799	0.5
157.74730	0.7
169.44469	0.4
184.03438	0.5
185.04158	0.9
201.03683	0.8
203.05289	1.7
251.12717	0.5
259.07904	1.6
283.15179	7.3
307.15390	0.5
331.09921	1.7
339.17822	2.5
384.53604	0.5
401.17456	0.7
405.22424	1.5
469.20590	0.5
567.27325	100.0
568.28046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2775
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
53.24277	0.3
55.05498	1.1
57.94910	0.3
59.72267	0.4
67.05505	2.8
69.03431	0.8
69.07066	0.5
70.79607	0.4
79.05486	0.9
81.03421	2.1
81.07061	2.0
83.04980	0.7
85.02905	0.5
91.05482	0.6
91.21621	0.4
91.99400	0.5
93.07043	1.8
95.08621	0.8
97.02875	0.7
97.95730	0.4
98.21498	1.2
100.61876	0.4
107.08577	0.8
109.02870	0.5
109.10160	1.5
109.16907	0.4
118.54877	0.4
121.10126	0.6
122.06104	0.4
173.11754	0.6
185.04271	0.9
249.10864	0.4
259.07761	0.5
275.07639	0.5
307.15170	0.7
331.10052	4.5
345.11639	0.5
373.14728	0.9
387.16443	0.8
387.21564	1.0
405.22141	1.8
455.18723	1.6
469.20511	5.2
495.25232	0.7
498.20538	0.5
549.26709	19.2
567.27625	100.0
568.28528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78582	0.2
55.05499	0.4
62.41726	0.3
63.90163	0.3
66.56405	0.3
67.05486	0.9
69.07047	0.4
71.47778	0.2
79.05461	0.6
81.03421	0.5
81.07051	1.5
85.02897	0.4
90.67000	0.2
91.05455	0.7
93.07031	1.1
95.04961	0.3
95.08604	1.8
97.02853	0.3
97.06479	0.3
97.10148	0.5
105.07015	1.0
107.08601	1.4
107.09216	0.3
109.10133	1.0
117.07034	0.3
119.08559	1.2
121.10148	0.9
131.08578	0.7
133.10123	0.5
135.11681	0.6
145.10110	0.6
147.11626	0.5
149.13240	0.4
159.11705	0.8
161.13275	0.5
163.14827	0.9
171.11703	0.6
173.13350	0.4
175.14774	0.5
177.16374	0.6
185.04147	1.3
187.14790	0.8
189.14818	0.3
189.16399	0.8
201.03644	0.3
201.16414	0.6
203.17949	0.5
213.16327	0.5
241.19571	0.4
248.00627	0.3
251.12576	0.3
275.07425	0.4
331.10065	1.4
339.17999	0.4
373.14810	0.4
387.16382	0.6
391.33627	0.6
393.04431	0.3
405.22485	2.1
469.20355	0.4
477.24380	0.3
567.27661	100.0
568.28210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
61.02914	5.6
65.03929	6.3
67.05496	6.8
69.03424	16.1
70.06577	3.4
71.19735	4.5
73.02912	5.2
79.05489	20.1
81.03407	10.7
81.07047	17.8
83.04977	3.5
83.41785	2.6
85.02888	11.1
86.32684	3.1
91.05475	50.6
93.07056	22.3
95.04955	7.8
97.02873	9.4
99.04460	5.9
102.22371	2.6
103.05441	7.5
105.07025	7.3
107.04977	7.6
107.08580	9.5
109.02856	4.5
109.06504	13.9
111.04429	5.4
115.05408	6.7
117.07026	24.1
118.04192	3.5
119.04124	5.2
119.04942	80.8
119.08569	5.6
121.06501	14.7
123.04468	7.1
127.03859	6.5
129.03371	12.3
131.04868	4.3
131.08588	3.4
133.06506	16.7
135.04349	4.2
135.08055	28.9
137.05998	7.9
139.07535	68.5
145.02812	4.2
145.04962	5.7
145.06471	15.5
147.04410	86.7
147.08002	3.4
151.07556	3.3
153.09082	7.3
153.79846	2.9
159.08090	3.4
161.05939	23.7
163.06183	4.4
163.07530	64.1
165.05440	9.3
167.07048	7.2
173.04517	4.6
175.03883	21.6
177.05466	7.3
179.06909	13.4
181.08598	100.0
189.05478	75.8
193.04950	11.8
199.09665	12.6
207.06538	59.8
208.06895	3.6
225.07631	9.2
226.07881	3.4
226.58641	2.7
264.86154	3.4
274.48636	3.0
289.10590	6.0
307.11597	14.7
325.12845	18.5
343.14044	6.3
549.19702	12.4
551.78558	3.4
567.21112	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	566.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55980	1.0
53.03943	3.1
55.01876	2.7
55.05515	12.9
57.03436	11.2
57.07077	2.3
61.02931	4.7
65.03945	1.8
67.05511	37.8
69.03433	3.7
69.07069	10.6
69.25357	9.1
69.27569	0.9
71.04989	3.6
71.08636	11.6
72.78482	0.9
73.02915	2.2
79.05498	21.3
81.03424	8.6
81.07059	48.2
83.04988	7.3
83.08620	10.0
85.02921	6.1
85.06566	3.0
91.03960	1.6
91.05484	17.7
93.07047	34.2
95.04993	6.2
95.08610	15.2
97.02889	4.7
97.06559	7.2
97.10178	3.8
99.04472	1.3
99.08099	14.1
103.03931	1.8
105.07043	10.3
107.04963	2.0
107.08602	17.6
109.02861	1.0
109.06556	2.0
109.10155	6.1
111.08077	3.2
117.07013	6.2
119.08586	7.9
121.06479	1.6
121.10143	10.7
123.04408	1.3
123.08076	1.5
123.11757	1.9
125.09640	2.9
127.03942	3.3
129.07022	2.5
131.08549	6.3
133.10138	11.0
135.08066	1.9
135.11693	6.9
137.09613	1.3
139.07454	0.9
139.11205	1.0
143.08569	2.1
145.10133	3.8
147.11702	4.3
149.09560	1.4
149.13268	16.1
151.11188	11.2
157.10144	1.1
159.11703	17.9
161.13264	6.9
163.11209	6.6
163.14804	2.2
171.11688	1.6
173.04547	1.7
173.11754	6.1
173.13235	2.0
175.14835	2.7
177.12766	22.9
177.14259	1.4
179.14336	12.4
185.26939	0.9
188.35651	1.1
189.11211	1.8
189.12737	1.8
195.13745	8.0
201.12798	1.2
227.12746	4.4
229.14331	2.3
231.21132	1.4
233.15288	1.0
241.19579	2.1
245.13927	2.0
251.16397	4.2
259.20547	5.9
259.31879	0.9
267.15842	1.2
269.17487	100.0
277.21628	12.9
339.17996	2.2
351.25302	45.5
369.26389	4.9
377.19699	1.1
389.18240	2.7
413.21860	4.7
506.97748	1.1
513.29871	1.2
515.71082	1.1
566.30450	1.8
567.31561	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	566.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55980	1.0
53.03943	3.1
55.01876	2.7
55.05515	12.9
57.03436	11.2
57.07077	2.3
61.02931	4.7
65.03945	1.8
67.05511	37.8
69.03433	3.7
69.07069	10.6
69.25357	9.1
69.27569	0.9
71.04989	3.6
71.08636	11.6
72.78482	0.9
73.02915	2.2
79.05498	21.3
81.03424	8.6
81.07059	48.2
83.04988	7.3
83.08620	10.0
85.02921	6.1
85.06566	3.0
91.03960	1.6
91.05484	17.7
93.07047	34.2
95.04993	6.2
95.08610	15.2
97.02889	4.7
97.06559	7.2
97.10178	3.8
99.04472	1.3
99.08099	14.1
103.03931	1.8
105.07043	10.3
107.04963	2.0
107.08602	17.6
109.02861	1.0
109.06556	2.0
109.10155	6.1
111.08077	3.2
117.07013	6.2
119.08586	7.9
121.06479	1.6
121.10143	10.7
123.04408	1.3
123.08076	1.5
123.11757	1.9
125.09640	2.9
127.03942	3.3
129.07022	2.5
131.08549	6.3
133.10138	11.0
135.08066	1.9
135.11693	6.9
137.09613	1.3
139.07454	0.9
139.11205	1.0
143.08569	2.1
145.10133	3.8
147.11702	4.3
149.09560	1.4
149.13268	16.1
151.11188	11.2
157.10144	1.1
159.11703	17.9
161.13264	6.9
163.11209	6.6
163.14804	2.2
171.11688	1.6
173.04547	1.7
173.11754	6.1
173.13235	2.0
175.14835	2.7
177.12766	22.9
177.14259	1.4
179.14336	12.4
185.26939	0.9
188.35651	1.1
189.11211	1.8
189.12737	1.8
195.13745	8.0
201.12798	1.2
227.12746	4.4
229.14331	2.3
231.21132	1.4
233.15288	1.0
241.19579	2.1
245.13927	2.0
251.16397	4.2
259.20547	5.9
259.31879	0.9
267.15842	1.2
269.17487	100.0
277.21628	12.9
339.17996	2.2
351.25302	45.5
369.26389	4.9
377.19699	1.1
389.18240	2.7
413.21860	4.7
506.97748	1.1
513.29871	1.2
515.71082	1.1
566.30450	1.8
567.31561	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	566.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01851	4.3
55.05505	14.4
56.05008	2.1
57.03439	9.5
57.07053	2.2
59.04987	3.4
61.02914	7.9
67.05502	16.3
69.03432	28.3
69.07083	12.1
69.07421	2.0
70.06584	3.3
71.01329	3.3
71.04987	27.5
71.56047	3.4
73.02921	23.0
73.06534	1.9
79.05489	19.5
81.03400	8.6
81.06600	3.0
81.07054	48.6
83.04973	12.6
83.08597	5.8
84.08128	5.6
84.76883	2.1
85.02441	3.2
85.02904	41.8
85.06525	6.0
87.04449	6.5
89.03915	2.8
91.05477	23.9
93.07039	36.0
95.04963	7.2
95.08608	25.9
97.02894	27.2
97.06511	12.2
97.10162	7.4
99.08089	16.2
102.05527	3.2
103.05437	2.9
105.07028	64.7
107.08590	31.1
109.02870	4.8
109.06526	4.5
109.10154	22.2
111.08086	5.0
112.07612	24.8
115.03918	16.4
117.07001	4.4
119.04942	2.5
119.08579	27.5
121.10143	34.8
123.08013	2.6
123.11680	9.3
125.09627	40.5
127.03905	13.5
127.07526	7.2
127.11177	9.8
131.08582	12.1
133.04965	11.9
133.10130	85.4
134.43785	2.2
135.08066	2.6
135.11636	10.0
137.05968	4.0
137.09622	4.3
139.11180	4.6
140.07079	18.1
143.10674	100.0
144.13423	2.2
145.02850	2.4
145.04985	13.2
145.10104	24.8
147.04408	3.3
147.11690	31.6
149.09628	4.0
149.13254	13.6
151.11194	9.4
155.10690	2.0
157.10150	3.4
159.11685	21.8
161.13277	16.5
163.03897	5.5
163.05966	6.6
163.11115	4.7
165.12721	3.5
167.14319	31.7
169.12241	7.0
173.11766	2.2
173.13200	3.3
177.05406	5.7
177.12732	4.2
184.07339	3.6
191.17934	4.7
193.15785	2.7
201.16385	21.6
203.17880	2.7
207.06551	2.3
219.17433	91.9
230.22908	1.9
237.18494	21.1
241.07019	3.1
255.35992	2.0
259.08145	8.6
295.10220	6.7
305.56097	2.0
313.42953	1.8
351.21399	3.7
374.16660	3.2
386.21625	15.0
404.22687	12.7
524.95898	2.3
548.27094	2.7
566.22302	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	566.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01871	2.2
55.05523	9.7
57.03431	8.8
57.07077	2.8
59.05008	3.1
61.02922	2.8
65.03927	2.3
67.05514	9.1
69.03438	9.7
69.07073	12.5
70.06593	2.5
71.04998	32.8
71.54865	3.7
73.02922	15.4
73.06569	3.7
74.04683	1.9
79.05485	14.0
81.03416	3.8
81.07059	36.4
83.04990	4.4
83.08623	5.7
85.02909	23.2
85.06530	6.0
86.09701	4.4
91.05485	16.6
93.07051	28.6
95.08008	2.4
95.08614	36.4
97.02898	19.0
97.06565	9.5
97.07088	1.8
97.10158	4.8
99.04474	2.1
99.08084	7.6
105.07037	44.9
107.08601	35.9
109.02860	4.7
109.06529	2.0
109.10166	19.2
111.04432	2.3
111.08095	3.5
115.03962	9.7
117.03369	4.0
117.07011	4.8
119.04942	1.9
119.08588	10.8
121.06513	2.7
121.10158	23.1
123.08107	3.1
123.11697	9.7
125.09643	36.8
127.03931	6.4
127.07592	4.6
127.11189	7.6
131.08524	10.3
133.04956	5.4
133.10135	70.9
135.11693	6.7
137.05977	2.4
137.09601	2.6
139.03903	4.2
139.11128	3.8
143.10683	64.5
145.02821	12.9
145.04930	6.8
145.10115	17.1
146.03183	5.8
147.11728	19.2
149.13277	28.4
151.11208	4.1
155.10637	2.6
157.10156	3.9
159.11696	13.0
161.13274	9.1
163.03938	2.8
163.11145	4.0
167.07112	2.2
167.14326	82.7
169.12253	6.6
171.11668	2.8
175.14899	2.3
177.05493	20.6
178.05858	12.2
181.04965	2.0
184.07341	5.1
186.88576	2.1
191.18030	2.7
201.16356	18.4
203.17949	3.2
215.17656	2.3
219.17450	100.0
221.19066	2.1
237.18550	22.3
238.65242	1.8
242.17648	2.6
259.07944	3.4
295.10123	5.3
313.13629	3.1
340.11316	2.2
351.21341	2.7
355.15506	2.5
356.15952	2.7
357.15918	2.5
371.15347	2.2
374.16754	4.9
399.23734	1.9
566.22321	7.6
576.85571	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01601	2.0
51.02365	2.3
53.03941	5.0
55.01866	5.2
55.05513	19.4
57.03431	9.8
57.07076	24.5
65.50977	2.3
67.05505	48.2
69.03426	7.8
69.07059	21.5
71.04977	3.1
71.08630	17.2
71.55636	2.1
71.56042	4.4
79.05495	25.7
81.03415	22.8
81.07064	42.4
83.04984	6.5
83.08628	15.7
85.02869	3.5
85.06544	2.9
85.10181	8.2
89.06014	2.4
91.05481	30.4
93.07054	35.4
95.04976	38.0
95.08614	36.3
97.06553	5.4
97.10155	12.0
99.04466	3.2
105.07040	38.1
105.34544	2.0
107.04961	6.9
107.08603	32.1
109.02901	6.9
109.06509	5.3
109.10155	21.1
111.04455	3.1
115.05467	3.0
117.07032	10.6
119.08584	31.1
121.06524	5.6
121.10153	31.4
123.04436	44.4
123.08070	5.8
123.11735	5.5
125.05999	2.6
125.09620	5.5
128.06210	5.6
129.07031	11.9
130.07771	3.7
131.08566	19.3
133.10124	27.6
135.08060	3.7
135.11687	15.6
137.05974	3.1
137.09602	3.5
142.07803	7.3
143.08563	15.7
144.09320	2.7
145.06598	2.9
145.10136	33.8
147.08090	8.4
147.11664	12.0
149.09622	8.9
151.07544	2.5
155.08585	6.3
156.09367	7.4
157.10136	23.7
158.10881	2.7
159.11668	11.3
161.09601	3.4
161.13295	5.5
163.11139	14.0
165.07039	3.9
165.09093	2.7
167.08673	3.7
167.10692	7.9
169.10175	14.2
170.10869	4.2
171.11714	17.1
173.09663	4.7
173.13182	10.6
175.11194	3.2
175.14835	4.9
179.08601	2.8
181.10152	7.6
181.12267	3.8
182.10933	5.1
183.11684	10.9
185.13287	9.4
187.14857	6.0
189.11224	2.5
189.12776	10.2
191.10632	4.5
193.10167	7.6
195.11697	11.4
196.12521	4.1
197.13310	9.8
199.14784	4.5
203.14374	2.4
205.10321	2.4
206.11018	3.2
207.11765	7.8
207.13828	8.1
209.13388	10.8
209.15144	2.1
211.14868	5.3
215.14381	7.1
217.12283	7.6
219.11618	3.4
220.12419	2.8
221.13271	7.1
221.15453	10.5
223.14905	6.8
225.16360	3.3
231.11824	3.0
233.13301	5.1
233.15427	3.1
235.13229	69.4
237.16385	4.6
239.23665	3.0
247.14886	3.3
249.16620	3.0
251.18028	4.7
253.14392	4.1
259.14960	2.6
261.16422	4.2
263.17975	4.4
265.19516	4.4
265.25388	2.7
277.19510	3.1
279.21225	2.3
282.27914	3.7
285.16742	3.2
287.18164	2.8
295.20569	2.4
309.16977	51.9
310.31189	3.1
313.27368	72.9
331.24310	3.3
337.27521	4.2
343.24374	2.8
473.34546	4.0
529.39008	4.1
547.39880	70.3
557.44208	2.4
565.31433	4.0
565.40472	100.0
580.53033	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32445	0.5
50.96319	0.5
55.05505	0.8
56.96548	0.6
57.03437	0.6
65.16103	0.4
67.05494	1.8
69.07054	1.2
71.04989	0.7
79.05492	1.7
81.03409	1.9
81.07075	2.4
83.08600	1.4
85.02920	1.1
91.05485	2.0
93.07043	2.4
95.04955	1.0
95.08619	1.5
99.67342	0.5
105.07055	1.2
107.04917	0.5
107.08601	1.5
109.06548	0.5
119.08614	1.3
121.10159	1.6
131.08577	1.3
133.10114	0.7
135.11754	0.6
145.10126	0.9
149.09659	0.9
163.03908	1.3
193.12390	0.6
230.14717	0.5
233.11621	0.7
249.11115	0.9
283.15216	11.7
329.13586	0.6
339.17792	5.9
349.35059	0.5
383.10791	0.5
402.07162	0.6
513.58820	0.5
565.29852	100.0
566.29468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.05519	15.9
57.03402	3.3
57.07080	7.1
60.83194	3.2
61.11261	3.6
63.22504	3.1
65.03936	4.9
67.05503	38.0
69.07059	22.9
71.56050	2.9
71.56471	5.2
79.05486	21.0
81.07053	48.0
83.04974	3.1
83.08600	11.8
91.05471	39.0
93.07046	50.6
95.04931	5.7
95.08604	35.7
97.06498	5.0
97.10104	4.4
103.05499	3.6
105.07027	66.9
107.08591	50.9
109.06488	3.6
109.10152	46.4
113.31002	3.4
117.07014	17.3
119.08575	100.0
121.10141	61.8
123.08035	7.7
123.11702	13.6
128.06219	6.8
129.06987	12.2
129.35927	3.0
130.07767	5.0
131.08559	26.5
133.10124	44.3
135.08046	6.0
135.11690	37.3
139.11070	3.7
140.23088	3.0
141.06956	4.7
142.07779	16.0
143.08577	32.3
144.09262	3.8
145.10112	41.4
147.11674	20.6
149.09590	5.3
149.13200	5.3
153.07033	4.2
154.07742	3.3
155.08498	17.6
156.09303	15.7
157.10117	48.2
159.08015	5.4
159.11678	33.2
161.13199	9.9
165.06920	5.6
167.08571	6.6
167.10657	9.1
168.09300	4.5
169.10150	19.9
170.10872	4.4
171.11728	23.0
173.09641	8.2
173.13249	15.7
175.11220	3.4
175.14799	38.3
177.12761	3.7
178.17151	3.1
179.08597	8.1
180.09335	5.1
181.10114	17.4
182.10838	9.6
183.11700	24.5
184.12372	3.8
185.09531	5.5
185.13243	13.5
187.11185	5.9
187.14793	11.9
189.12709	5.5
193.10110	14.6
194.10905	5.0
195.11620	17.8
197.13254	30.2
199.11217	10.0
199.14726	6.6
201.16351	11.7
206.10931	5.8
207.11644	11.4
209.13264	13.8
211.14784	8.6
213.16315	8.6
215.14369	5.6
219.11606	4.5
220.12492	4.8
221.13194	8.6
223.14867	18.3
225.12755	5.8
231.11639	4.8
233.13248	7.5
237.16399	6.6
239.17970	7.5
241.15941	4.3
247.14677	7.3
249.16327	6.0
259.17117	4.0
261.16364	5.4
263.17969	4.1
273.18588	27.6
275.18210	4.0
279.21060	11.9
281.19043	3.8
283.14648	3.7
299.20065	50.3
313.21674	4.2
319.24075	4.8
336.26035	4.5
345.25693	4.4
375.23105	6.1
429.01428	3.5
443.29105	6.6
473.33929	10.2
530.39429	5.3
540.16052	4.0
547.39703	6.5
565.40442	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05514	0.4
64.43547	0.3
67.05495	1.0
69.03434	0.7
69.07063	0.9
69.26147	2.1
71.04998	0.2
78.04706	0.3
79.05511	0.7
81.03411	2.0
81.07082	1.6
83.04984	0.5
83.08613	0.4
85.02912	0.8
89.03915	5.3
91.05486	1.0
93.07047	3.1
95.08629	1.1
97.02914	0.5
97.06533	1.3
98.20780	0.4
99.04463	0.3
99.08093	0.4
103.05473	0.5
105.01857	0.3
105.07050	0.8
106.04149	0.3
107.08595	3.0
109.02894	0.7
109.06543	0.7
109.10161	1.2
111.08070	0.3
117.03379	17.7
119.08581	0.8
121.06509	0.8
121.10140	1.6
123.08060	1.2
123.11697	1.5
127.03919	0.9
133.10143	0.5
134.03616	1.1
135.04428	1.1
135.08070	0.8
135.11688	4.8
137.09651	0.6
145.02844	46.2
145.10150	0.6
147.11652	0.5
147.63879	0.3
149.05988	5.8
149.09627	2.3
149.13269	0.4
151.11198	0.5
159.11667	0.4
163.03928	1.4
163.11172	6.8
163.14822	0.3
173.13181	0.3
177.05466	100.0
177.16425	0.4
178.05795	0.6
186.05476	1.2
191.14343	1.5
195.06557	1.1
201.16327	0.4
209.15376	1.9
219.17439	22.8
227.16336	0.3
237.18510	1.0
259.09595	0.5
321.09741	2.1
339.10779	3.9
353.49182	0.2
355.15387	0.3
356.15735	0.3
373.16412	0.7
477.03021	0.3
565.22552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
55.05502	1.4
57.03428	0.8
57.35299	0.3
67.05506	3.6
69.07060	1.5
69.62361	0.9
69.62775	1.4
71.04974	0.6
74.31036	0.3
79.05498	2.4
81.03422	1.6
81.07048	3.2
83.04980	0.9
83.08627	1.0
85.02908	1.3
85.06588	0.4
91.05473	2.1
93.07038	2.3
94.07417	0.4
95.04967	1.5
95.08599	2.4
97.02888	0.6
97.06508	3.2
97.10181	0.9
98.06833	0.8
103.03941	0.6
105.07029	2.6
107.04951	1.0
107.08597	2.0
108.08894	0.3
109.02833	0.5
109.10152	1.5
110.10513	0.5
111.04452	0.4
117.07029	1.1
119.08578	1.9
121.06491	0.4
121.10150	1.0
122.16296	0.3
129.07033	0.6
131.08556	1.5
132.08865	0.4
133.10132	1.4
135.04362	0.4
135.11707	0.8
141.07047	0.5
143.08600	1.1
145.10115	1.6
146.10513	0.4
147.11703	1.1
149.02350	1.9
149.09569	0.4
149.13251	0.7
157.10197	0.8
159.11682	1.4
161.06021	0.4
163.03937	1.2
169.10172	0.6
171.00511	0.4
171.11731	0.6
173.13263	0.7
175.11241	0.5
175.14871	0.4
176.11871	0.4
177.12753	0.3
185.06006	0.4
185.13202	0.5
187.14836	0.6
193.12285	0.5
197.13269	0.4
199.07516	0.5
199.14917	0.4
201.16348	0.7
203.07083	0.5
216.23697	0.4
225.16318	0.3
227.12836	0.5
229.14409	0.6
245.07843	1.9
255.16068	0.4
256.16110	0.4
257.07779	0.8
257.10141	0.6
259.09601	0.4
260.10138	0.8
261.92447	0.4
266.18353	0.4
269.17505	1.1
270.17917	0.8
275.11063	1.0
275.20132	1.1
276.20416	0.9
278.44281	0.4
299.12665	0.9
317.13651	11.7
319.24487	0.3
337.14288	1.7
338.14725	0.7
345.13010	3.3
349.23770	1.0
350.24100	1.3
355.15540	1.9
356.15747	2.5
359.14511	0.5
368.25137	0.6
373.16333	2.4
374.16812	0.6
389.31979	0.4
461.17480	1.2
479.18835	14.0
521.19940	42.0
522.19910	0.5
565.18878	100.0
566.19220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
55.01870	13.1
55.05509	24.1
57.03434	13.7
61.02919	8.6
63.54520	2.5
67.05506	64.8
69.03432	8.9
69.07069	35.8
69.24946	17.4
71.01359	2.7
71.04983	3.8
73.02901	3.4
79.05068	4.0
79.05495	54.5
79.88055	2.4
81.03433	16.1
81.06589	4.3
81.07056	76.2
83.04996	18.4
83.08622	12.7
85.02889	8.1
85.06538	4.0
91.05475	40.3
93.07043	61.3
95.04961	19.0
95.08609	30.6
97.02878	7.6
97.06535	65.7
97.10159	9.6
99.04473	2.6
99.08112	3.9
105.04565	2.8
105.07028	28.8
107.05013	11.2
107.08588	35.8
109.06510	7.4
109.10158	11.3
111.08072	7.5
113.06040	2.7
117.07014	21.1
119.08582	22.1
120.70640	2.2
121.06508	6.2
121.10156	17.6
123.08038	3.5
123.11697	4.2
125.09655	7.6
127.03922	3.2
129.06993	6.6
131.08568	23.0
131.49245	2.1
133.06516	2.9
133.10129	22.6
135.08066	6.2
135.11688	23.8
141.06963	4.0
143.08551	4.9
145.04974	2.9
145.10135	15.7
147.11682	15.8
149.09671	11.6
149.13278	18.4
157.10130	5.3
159.11707	26.0
161.05943	4.0
161.09602	2.4
161.13260	6.2
163.03900	7.4
163.11201	8.2
165.07027	2.8
169.10132	3.6
171.11650	2.6
173.04503	2.6
173.06010	3.8
173.13264	8.8
175.11250	3.4
177.12741	22.8
179.14330	10.1
181.12221	2.8
183.08098	3.4
183.11716	2.9
185.13229	2.3
189.09233	4.9
189.11217	6.5
193.12170	3.3
195.13771	8.4
197.95944	2.2
199.07497	3.3
201.09212	2.3
205.04942	2.9
211.13220	3.2
213.09021	5.6
215.07027	4.1
219.13307	2.2
227.12794	7.5
229.14233	2.9
229.19545	3.0
239.17966	4.5
240.07922	3.1
241.08614	6.6
245.13831	3.9
247.20518	3.2
251.16347	3.2
255.15894	53.1
257.18973	13.4
258.09006	2.5
259.09625	12.4
269.17477	100.0
275.20032	38.2
285.32297	2.5
293.21262	3.5
309.14664	3.6
309.20547	3.3
311.12985	13.9
313.14346	3.8
327.15915	6.5
337.14423	13.8
349.23718	85.7
355.15369	51.1
367.24774	18.3
373.16434	7.7
397.13458	2.4
511.29117	2.7
587.55347	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	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88866	3.1
53.03936	5.0
55.01869	12.3
55.05308	2.6
55.05514	27.6
57.03439	24.6
61.02919	7.4
67.05505	68.4
69.03414	12.0
69.07070	38.9
69.45944	19.8
71.04984	11.3
73.02922	5.0
79.05490	58.7
80.40758	2.3
81.03432	17.0
81.06595	5.9
81.07057	84.3
81.19976	2.6
83.04981	18.8
83.08620	17.8
83.26395	2.6
85.02892	18.5
85.06534	4.1
91.03970	3.7
91.05473	36.1
93.06480	5.5
93.07042	68.3
95.04979	23.1
95.08600	37.7
97.02885	8.6
97.05930	4.2
97.06532	75.9
97.10181	17.9
98.21523	5.6
99.04433	3.1
99.08106	5.2
103.41604	2.4
105.07026	43.5
107.04942	13.7
107.08596	40.8
109.02879	5.2
109.06519	7.5
109.10162	18.3
111.04463	3.8
111.08079	6.9
115.05460	2.8
117.07027	23.5
119.08596	31.0
121.06548	5.8
121.10146	22.5
123.04338	2.6
123.08121	3.2
123.11687	5.7
125.09640	8.4
127.03918	7.1
129.07033	8.3
131.08569	31.2
133.10133	27.8
135.08073	5.5
135.11681	24.6
141.07010	5.2
143.08597	5.3
144.79436	2.7
145.10109	30.7
147.08018	7.5
147.11658	19.8
149.09599	16.7
149.13246	19.3
151.11124	3.0
155.08554	5.0
157.10133	6.8
159.08075	4.0
159.11678	28.9
161.05981	4.9
161.09647	3.0
161.13268	9.4
163.03912	9.4
163.11154	13.1
165.12846	3.4
167.08565	4.5
169.10130	3.4
171.10129	4.2
171.11623	3.6
173.11867	3.1
173.13260	10.2
173.19968	2.7
175.11226	5.9
177.12749	23.6
179.10649	4.1
179.14284	6.0
181.12285	4.3
181.70781	2.7
183.11772	3.2
185.09619	2.7
187.07555	3.1
187.11111	4.8
189.05446	7.3
189.09146	2.6
189.11255	8.8
193.12236	4.7
195.08263	3.1
195.13821	8.6
199.07497	4.5
211.07372	3.5
213.09067	8.3
214.06306	4.2
215.07095	2.7
224.48213	2.5
227.12784	11.2
229.14243	15.5
229.19594	2.7
231.10060	5.3
239.17952	8.8
240.07863	4.9
241.08604	11.5
245.13829	6.9
253.12430	3.0
253.18074	3.1
255.15938	43.9
257.07733	2.9
257.18991	18.1
259.09628	11.8
267.15982	6.7
269.17480	100.0
275.20047	46.3
283.19104	3.5
293.11731	4.0
293.20892	3.3
299.12869	3.7
301.16379	3.6
309.14963	3.5
311.12784	10.8
313.14322	6.9
319.13330	5.6
327.16058	8.3
337.14276	22.5
349.23727	88.4
355.15402	56.4
367.24832	26.0
373.16452	10.9
413.21945	5.4
479.08871	3.9
493.27518	3.2
511.28564	4.9
521.19537	6.2
565.18744	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	564.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01872	2.8
55.05508	2.4
57.03443	2.8
61.02922	0.6
65.03939	0.7
67.05505	5.8
69.03422	2.0
69.07073	8.3
69.63439	2.4
69.63849	1.3
71.04988	0.9
78.54564	0.6
79.05495	11.5
81.03432	1.1
81.07050	1.9
83.04972	4.4
83.08623	1.1
85.99276	0.6
91.05492	1.9
91.34846	0.5
93.07048	1.6
95.04971	9.5
95.08628	0.9
97.06532	100.0
97.10155	0.7
98.20723	0.6
105.07038	1.7
107.04958	0.7
107.08595	2.0
111.04449	1.4
118.31879	0.6
119.08595	1.3
121.10103	0.6
122.26550	0.6
123.04439	0.9
127.48223	0.6
129.07004	1.4
131.08578	1.4
133.10138	0.6
135.11676	0.8
139.03957	1.2
140.05321	0.6
141.07013	1.0
145.06483	0.9
145.10135	1.0
157.06519	0.8
159.11681	1.0
161.02405	0.9
161.05992	4.0
163.03912	7.2
165.07001	0.6
167.08609	2.3
169.06473	0.9
169.10091	0.7
171.08087	1.8
173.02460	0.6
173.05995	2.4
173.09657	0.7
175.07573	2.6
183.08063	1.6
184.92792	0.6
185.05980	1.4
185.09586	1.6
186.06746	0.9
187.07578	2.1
189.05464	1.3
189.09093	3.4
195.08055	3.6
197.06065	1.4
197.09676	1.1
199.04083	0.8
199.07529	3.8
201.05574	0.7
201.09048	0.8
203.07028	0.8
203.10678	1.2
205.08772	0.6
209.09610	1.1
210.97322	0.6
211.07571	2.3
211.11118	0.9
211.13161	0.7
212.08316	0.6
213.05574	0.9
213.09097	5.5
214.06293	1.3
215.06999	4.5
215.10724	1.5
217.08701	1.6
223.07507	1.4
225.05515	0.8
225.09056	1.7
226.06331	1.3
226.10156	0.6
227.10693	1.8
227.12720	0.8
229.08565	0.9
230.09317	0.7
231.10179	2.8
237.09187	1.5
239.07109	0.8
241.08603	11.5
241.12379	2.0
255.10120	1.9
255.13753	0.8
257.08459	0.8
257.11740	3.8
259.09647	18.3
265.12292	1.4
267.10239	0.9
267.13742	1.6
269.08200	2.6
269.11630	1.3
269.17563	1.1
271.09595	0.7
271.13165	0.7
275.20132	1.9
283.13275	3.0
285.11319	1.0
285.14828	1.7
293.11716	1.7
299.12720	4.5
305.10074	0.6
309.14920	3.6
311.12827	19.0
311.16382	2.0
313.10876	1.3
313.14255	9.3
319.13443	0.7
327.12286	1.1
327.15924	11.7
329.13739	1.1
337.14365	12.5
337.18237	1.1
345.16995	0.8
349.23767	4.7
355.15399	80.3
357.03485	0.8
373.16537	13.2
529.20868	2.8
547.22003	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	563.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.5
57.03448	0.5
57.07069	1.5
59.03803	0.3
62.81886	0.4
67.05499	0.8
69.07060	1.0
70.99545	0.8
71.08633	0.8
81.03393	0.4
81.07050	1.7
83.08633	0.6
85.10196	0.8
88.02275	0.4
91.05470	0.4
93.07069	0.3
95.08628	1.0
109.10173	0.7
119.08512	0.3
121.10151	0.7
133.10147	0.4
140.23068	0.3
251.12585	3.8
307.15112	3.4
313.27463	1.3
407.22150	0.3
563.39166	100.0
564.39484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69383	0.4
53.03925	0.5
58.34988	0.3
60.16693	0.4
61.86678	0.4
69.03416	1.2
70.78710	0.7
79.05466	0.5
81.03421	3.3
81.07037	0.5
85.02910	0.9
89.03915	4.9
90.89857	0.4
91.05472	0.9
93.29004	0.3
97.02911	0.4
97.06557	0.5
103.05495	0.6
106.04198	0.5
107.08594	0.5
109.02876	1.1
117.03385	16.3
119.08628	0.4
127.03893	0.4
134.03653	1.0
135.04398	0.6
137.09598	1.0
145.02852	45.1
149.05971	5.9
167.23474	0.4
177.05476	100.0
186.05511	1.1
189.05418	0.4
195.06516	1.9
207.13905	0.4
214.94379	0.4
217.15874	0.9
235.16878	0.8
241.22150	0.4
280.25412	0.4
321.09698	4.2
339.10788	6.0
401.11371	1.2
431.00861	0.4
486.28632	0.4
515.92560	0.3
520.77759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69383	0.4
53.03925	0.5
58.34988	0.3
60.16693	0.4
61.86678	0.4
69.03416	1.2
70.78710	0.7
79.05466	0.5
81.03421	3.3
81.07037	0.5
85.02910	0.9
89.03915	4.9
90.89857	0.4
91.05472	0.9
93.29004	0.3
97.02911	0.4
97.06557	0.5
103.05495	0.6
106.04198	0.5
107.08594	0.5
109.02876	1.1
117.03385	16.3
119.08628	0.4
127.03893	0.4
134.03653	1.0
135.04398	0.6
137.09598	1.0
145.02852	45.1
149.05971	5.9
167.23474	0.4
177.05476	100.0
186.05511	1.1
189.05418	0.4
195.06516	1.9
207.13905	0.4
214.94379	0.4
217.15874	0.9
235.16878	0.8
241.22150	0.4
280.25412	0.4
321.09698	4.2
339.10788	6.0
401.11371	1.2
431.00861	0.4
486.28632	0.4
515.92560	0.3
520.77759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87640	0.9
53.03954	1.3
55.01878	1.8
56.96558	1.5
57.03441	2.2
61.02925	2.7
69.03436	6.9
70.06598	1.1
71.54982	1.4
72.08150	0.9
73.02934	1.2
76.00054	0.8
77.03918	0.9
78.04731	2.1
79.05487	6.0
81.03413	4.2
81.07054	2.8
84.08134	0.8
85.02917	14.6
86.09728	1.4
91.05488	3.2
91.11401	0.8
93.07045	2.2
95.04993	3.6
95.08565	1.5
97.02894	5.2
98.97604	1.7
102.24330	0.9
103.05469	1.1
105.07019	3.2
106.04173	2.0
107.04962	12.2
107.08629	1.3
109.02895	1.6
112.00104	0.8
115.05464	1.8
117.07029	1.0
119.04946	1.6
119.08614	1.1
121.06582	1.5
123.04446	8.0
123.08096	0.9
124.05209	3.0
125.06062	1.0
127.03920	2.8
128.06238	3.7
129.07036	1.9
129.10251	1.2
131.00166	1.1
131.04971	1.2
131.08563	2.9
133.06435	1.5
133.10149	1.0
135.11714	1.2
137.06039	1.1
141.06975	1.1
143.08559	2.8
144.05717	2.6
145.02872	1.0
145.04955	2.1
145.06601	1.0
147.04428	2.3
149.06004	1.2
151.03885	2.1
152.04718	1.7
153.07069	1.3
155.07054	3.1
156.05707	8.0
157.06502	3.3
159.04445	1.1
159.08069	3.7
161.05963	2.0
163.03938	1.5
167.07051	100.0
170.07320	5.2
171.08099	4.4
173.06032	1.9
177.05467	4.1
179.07088	2.8
181.06429	0.9
181.07202	1.0
181.08595	6.9
184.05202	1.6
187.07541	7.9
188.08371	1.3
189.05498	1.1
195.06480	1.2
198.06729	2.2
199.07568	8.0
202.06252	2.4
203.10664	2.2
205.08638	2.6
207.13786	1.3
215.07094	3.1
216.07710	1.8
217.08600	32.3
219.08070	2.6
219.10107	1.5
229.08682	1.8
231.08194	1.3
231.10178	28.7
233.09628	1.4
235.07588	1.5
246.06952	1.2
247.07520	1.8
247.09680	6.8
248.08449	2.9
261.09119	1.4
262.09839	1.2
263.07114	1.7
263.10696	1.2
264.07834	1.8
265.08603	0.9
267.09024	4.8
271.09805	1.3
275.33383	1.0
276.07996	1.3
278.09396	1.7
279.10016	1.3
281.08002	1.0
285.10056	3.1
287.05530	1.2
289.08670	1.2
291.10031	1.2
291.92377	0.9
292.07318	1.5
293.08286	1.6
293.11536	1.1
307.09637	3.1
308.10721	1.2
309.10321	1.3
315.08716	1.3
319.09637	1.2
320.10672	0.9
321.11084	2.7
325.10638	0.9
331.11832	1.2
337.10779	1.6
337.87305	1.1
351.12427	2.0
353.10104	1.9
353.13882	1.5
357.13361	0.9
357.85666	0.9
368.12546	2.5
371.14737	2.2
383.14893	21.1
383.19421	0.7
385.16568	18.0
401.16107	5.7
429.46863	0.9
483.72372	0.9
485.16620	2.8
503.17468	1.1
552.27655	0.8
563.22369	2.6
563.33002	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	563.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42923	0.6
52.81211	0.6
53.01997	0.6
54.49301	0.5
55.01871	0.7
56.55555	0.6
56.96555	0.7
63.75045	0.5
69.03450	2.7
69.07072	0.7
70.06582	0.8
70.98212	1.2
73.02917	0.5
79.05511	0.8
79.39495	0.7
81.03422	4.5
81.07047	1.1
85.02888	1.9
86.09718	0.7
89.03917	5.8
91.05476	4.1
93.07032	1.0
95.04950	0.7
95.08577	0.9
97.02874	1.5
97.06535	0.7
98.97583	1.7
105.06979	0.8
106.04212	0.7
107.08586	1.3
109.02854	1.2
109.10150	1.3
109.35622	0.6
110.97578	0.6
117.03391	17.4
119.04952	3.3
127.03893	0.9
134.03627	1.7
135.04439	1.1
135.11743	0.9
137.02339	1.2
140.80110	0.6
145.02852	47.4
147.04370	4.3
149.05998	6.6
161.05965	1.1
162.03064	0.6
163.03929	0.9
165.05580	0.6
167.07019	0.7
175.03995	1.3
177.05478	100.0
179.07036	0.9
186.05394	1.2
189.00752	0.7
189.05499	1.6
191.07080	0.7
193.15831	0.7
195.06529	2.0
207.06459	1.5
226.97284	0.7
257.56873	0.6
272.10910	2.4
272.61139	1.5
310.13623	0.6
321.09698	5.3
339.10727	4.3
401.11740	0.6
450.66473	0.9
543.21332	1.0
563.20013	1.0
563.32562	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40896	0.7
53.03954	0.7
55.01856	1.0
55.05520	0.9
56.44806	0.7
57.03421	1.3
65.03934	3.0
67.05517	1.4
69.03428	2.1
69.07081	1.4
69.71995	0.6
70.06588	1.1
75.05589	0.9
77.16701	0.7
79.05495	4.3
81.03419	2.0
81.07044	2.6
82.04654	0.7
83.04991	1.7
83.08604	0.8
85.02908	5.6
85.06612	0.9
86.09709	100.0
87.04482	0.8
87.05602	2.0
89.03900	5.4
91.04910	1.6
91.05484	32.6
93.07050	2.2
95.05003	1.5
95.08614	1.7
97.02894	2.9
97.06545	3.1
98.09702	7.6
99.04472	0.9
99.05553	1.2
103.05462	1.8
105.07054	2.6
107.08598	1.3
109.02863	1.6
109.06525	0.8
109.10197	1.2
115.05058	1.6
117.03383	14.4
118.04166	1.3
119.04942	38.0
119.08612	1.7
120.08102	10.8
120.08942	0.8
123.04478	0.8
123.11684	0.8
127.03922	1.9
129.03360	3.8
131.04951	2.0
131.08583	0.8
133.06502	2.8
133.10103	1.0
134.03598	0.9
135.04442	2.2
135.08115	1.0
135.11716	1.4
137.05998	1.4
143.10646	1.3
143.11794	26.8
145.02850	39.4
145.04881	1.7
147.04411	58.9
149.05956	6.3
151.03947	1.7
153.01884	3.2
154.02144	1.6
154.15906	1.0
155.11786	4.8
161.05959	3.8
163.03903	2.2
165.05489	13.8
165.06900	0.8
166.08635	5.7
167.07054	1.1
171.11299	10.3
175.03888	3.9
177.05472	89.4
179.07036	8.7
182.12938	0.8
183.11292	6.1
189.05478	32.7
193.04958	0.8
200.13930	1.7
203.06984	0.8
203.17987	1.0
207.06525	18.9
207.08386	1.0
210.12381	1.7
211.18062	13.8
221.18971	0.7
228.13474	11.0
234.12181	1.0
239.15247	1.3
239.17609	3.2
240.13431	2.0
257.08432	0.8
257.16226	2.8
279.16995	5.7
285.15585	12.0
287.05560	1.9
296.19751	2.9
313.22330	0.8
329.13641	0.9
336.19302	0.9
352.23441	1.1
353.13998	1.5
353.21844	2.1
355.08389	0.9
357.08865	1.6
370.24484	31.3
371.15094	1.1
375.20255	1.1
380.23172	1.5
383.11160	2.9
393.21567	2.6
398.23932	21.4
399.10895	1.3
401.11758	3.2
434.16754	0.7
517.31250	1.4
533.57892	0.7
545.30792	2.2
563.21741	2.6
563.32086	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	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01872	3.0
55.05511	17.6
57.03439	7.5
67.05505	14.9
69.03429	6.0
69.07074	18.9
69.23330	9.3
71.04978	2.9
79.05019	1.3
79.05487	19.0
81.03418	39.2
81.07054	16.6
83.04977	6.0
83.08148	1.6
83.08617	11.8
85.02904	6.3
91.05487	14.7
93.07041	13.5
95.04972	14.4
95.08608	9.3
97.02892	7.5
97.06524	3.4
97.10165	9.1
105.07022	12.5
107.04933	7.4
107.08604	9.3
109.06499	2.9
109.10164	5.9
111.04405	1.5
111.08109	5.4
115.05444	1.7
117.07024	3.1
119.04917	1.5
119.08596	13.7
121.06524	3.0
121.10161	6.3
123.08075	4.0
125.09634	9.3
129.07004	6.6
131.08565	7.7
133.06506	2.9
133.10132	4.9
135.08044	2.4
137.09595	2.5
140.22261	1.2
142.07907	1.3
145.06476	2.1
145.10127	3.5
147.08017	4.1
147.11696	7.1
149.09593	2.9
157.10106	7.8
159.11758	1.4
161.09579	1.9
163.11154	2.5
165.09149	1.4
165.12794	1.5
171.11655	1.3
175.11147	6.1
189.11206	3.6
193.12225	18.0
195.11664	1.4
205.12239	2.3
211.13284	10.0
223.13274	14.3
227.12825	4.2
249.14886	4.0
267.15909	42.9
273.15237	1.4
273.18420	6.6
285.16974	18.0
291.19537	63.1
347.22488	2.6
349.21707	1.7
365.23218	100.0
367.22626	3.7
385.23584	4.8
403.24710	1.5
421.80551	1.2
433.25958	3.8
459.21317	1.5
459.27457	25.0
477.28482	19.8
492.61499	1.2
527.28461	2.0
586.48877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01856	2.3
55.05510	15.9
57.03436	12.1
57.36332	1.1
61.85101	1.3
67.05178	1.8
67.05504	19.8
69.03413	4.0
69.07059	6.3
69.30795	5.6
69.31216	4.5
71.04978	2.1
79.05080	1.5
79.05492	18.6
81.03417	80.0
81.07053	17.2
83.04984	9.4
83.08618	20.1
85.02898	11.4
91.05486	23.1
93.07047	13.9
95.04962	26.1
95.05568	1.9
95.08583	7.2
97.02908	2.1
97.06512	3.5
97.10175	4.9
98.21516	2.8
105.07029	16.2
107.04951	6.3
107.08604	7.9
109.06524	3.7
109.10140	4.8
111.04416	1.8
111.08073	9.0
113.06002	2.0
115.05473	1.6
117.06981	2.3
119.08591	14.6
119.62216	1.2
121.06485	4.5
121.10133	7.7
122.84400	1.5
123.08029	2.1
125.09609	4.0
129.06984	12.2
131.08568	11.9
133.06473	5.0
133.10150	7.5
137.09634	1.7
141.11235	1.2
142.07784	1.7
143.08540	1.6
145.06508	2.8
145.10080	3.3
147.08023	4.5
147.11697	11.0
149.09653	6.1
157.10129	13.4
163.11172	3.7
165.12753	2.7
171.08022	1.5
173.48125	1.3
175.11221	11.7
193.12247	32.9
197.13237	1.6
211.13243	19.8
229.14366	4.0
249.14851	2.3
255.13649	1.8
267.15915	100.0
273.14856	3.5
283.15170	2.7
285.16992	20.1
302.94992	1.2
349.21457	2.4
367.22662	9.9
385.23621	10.2
405.24384	1.5
433.25821	11.0
441.26471	5.9
450.11322	1.4
459.27411	54.1
459.33929	2.7
477.28479	46.4
538.35577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57483	1.6
55.01875	7.3
55.05511	16.9
57.03432	9.7
61.02936	3.2
64.64100	1.6
65.03922	2.1
67.05506	42.3
69.03443	4.5
69.07067	14.4
71.04993	4.4
79.05492	25.0
81.03426	29.0
81.07058	43.9
81.92306	1.7
83.04981	9.4
83.08629	10.0
85.02905	4.9
85.06550	4.0
91.05480	37.7
93.07056	27.0
95.04971	17.1
95.08607	14.7
97.02914	2.4
97.06517	6.6
97.10161	5.4
98.20757	4.9
100.76337	1.7
105.07036	32.9
107.04948	10.6
107.08592	25.2
109.06515	7.8
109.10154	41.7
109.10846	3.3
111.04460	1.8
111.08079	4.5
117.07008	6.5
119.08571	12.8
121.06486	3.8
121.10161	9.4
123.08038	2.4
123.11710	7.5
125.06053	2.1
125.09643	3.3
129.06972	4.4
131.08556	11.7
133.06512	4.8
133.10132	48.9
135.08054	5.2
135.11705	6.4
143.08522	3.9
145.06450	2.1
145.10124	4.5
147.08093	2.3
147.11697	7.3
149.09642	7.2
151.11168	24.5
152.40602	1.8
157.10156	6.4
161.09633	4.1
163.11153	3.1
167.53902	1.8
169.12262	4.6
173.09573	2.2
175.11208	7.0
177.09128	2.5
185.13287	2.1
191.10703	2.2
193.12254	11.2
199.27359	1.8
211.13318	6.7
215.12729	2.1
245.19063	2.5
253.14354	82.9
263.20135	4.1
267.15918	19.3
269.13873	3.5
271.15384	12.9
273.18469	10.6
283.15570	4.0
285.16776	10.7
291.19540	12.3
347.22211	8.6
365.23233	100.0
367.22537	3.2
383.24023	3.4
385.23755	5.7
459.27335	14.0
477.28470	31.1
527.28802	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	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.4
55.01865	3.4
55.05514	13.8
57.03447	3.7
60.85421	0.7
61.02910	3.0
65.03925	0.9
67.05191	1.0
67.05509	13.9
69.03435	6.0
69.07072	16.7
69.65802	3.7
71.04983	1.5
79.05497	16.7
81.03426	9.0
81.06603	1.0
81.07055	14.6
81.94859	0.6
83.04969	2.4
83.08216	0.7
83.08617	7.7
85.02914	4.0
85.06536	0.8
91.05492	10.0
93.07050	11.3
94.04015	0.7
95.04984	7.1
95.08603	7.4
97.02894	8.2
97.06522	2.2
97.09652	0.8
97.10180	9.3
105.07033	8.8
107.04962	4.6
107.08596	8.5
109.06506	2.4
109.10152	5.2
111.08060	2.5
115.05408	1.1
117.07019	4.1
119.04923	0.9
119.08575	8.7
121.06489	2.1
121.10132	5.2
123.08062	2.4
123.11681	0.9
125.09633	8.3
129.07002	2.7
131.08578	6.0
133.06482	1.9
133.10149	3.4
135.08035	2.4
135.11684	1.0
137.06046	0.7
137.09616	1.0
142.07722	0.7
143.08522	2.4
145.10120	5.0
147.08051	6.1
147.11649	1.7
149.09612	1.4
153.09117	1.2
155.08521	0.9
157.10092	2.7
159.11644	1.4
161.09627	1.7
163.11203	1.7
171.10225	1.1
171.11630	1.4
173.13293	0.8
175.11224	1.9
176.41869	0.7
185.13232	1.0
189.11221	4.4
193.12234	4.6
200.33160	0.7
203.19943	0.7
205.12218	1.4
211.13284	2.6
223.13271	13.1
227.12758	4.7
245.13873	1.8
249.14868	3.9
255.17204	0.9
263.20084	1.3
267.15964	4.6
273.18515	10.3
285.16989	10.9
291.19550	97.8
292.19839	0.8
312.69904	0.7
347.22070	2.5
365.23236	100.0
459.27731	1.4
477.28186	1.1
527.28223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45978	1.0
53.03942	2.1
55.01630	1.2
55.01870	6.0
55.05510	9.0
57.03425	5.1
61.02912	2.9
67.05504	34.5
69.03413	4.1
69.07063	8.2
71.04974	3.3
71.56384	1.2
71.73866	1.1
73.02924	1.3
74.24316	1.3
79.05491	18.9
81.03416	8.1
81.06590	1.8
81.07056	33.8
83.04961	6.0
83.08605	5.1
85.02889	5.1
85.06536	2.9
91.03958	1.3
91.05479	25.8
93.07043	19.4
95.04971	7.3
95.08613	13.2
95.17379	1.1
95.26259	1.1
97.02901	2.7
97.06524	3.8
97.10201	1.6
99.04455	2.5
99.75343	1.1
105.07031	25.8
107.04948	5.2
107.07881	1.7
107.08597	23.8
109.06511	4.7
109.10156	35.5
111.04482	1.5
111.08067	3.0
113.05968	1.4
117.07017	3.9
119.08563	7.8
121.06490	2.8
121.10146	5.8
123.08129	1.9
123.11743	6.6
125.09644	1.4
127.03975	1.4
129.05443	2.4
131.08568	8.1
133.06487	3.2
133.09119	2.6
133.10124	45.9
135.08054	4.3
135.11664	3.7
137.09618	2.2
139.11183	1.3
143.08566	3.3
145.10088	4.0
147.08023	1.5
147.11667	2.4
149.09633	5.5
149.13214	1.1
151.11188	20.8
157.04890	1.2
157.10104	3.6
159.08043	2.0
159.11732	2.3
161.09560	5.4
163.11182	2.5
169.12224	4.5
171.11609	1.7
173.09566	1.2
175.11176	2.6
177.09030	1.9
189.12682	1.6
193.12282	1.3
215.12737	3.1
245.18993	4.7
251.12831	1.6
253.14352	100.0
255.17563	1.2
263.20074	4.7
268.57260	1.2
269.13828	3.2
271.15402	16.7
271.84299	1.1
273.18457	14.6
285.16879	1.8
291.19556	21.7
301.13074	1.7
301.16473	3.2
321.24130	1.9
347.22192	6.6
347.25626	1.2
365.23215	71.9
383.24445	3.4
466.44156	1.1
527.28473	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	4.1
67.05501	1.4
69.07060	0.9
71.08054	1.1
71.08616	2.6
79.05505	0.7
81.07046	1.9
83.04970	0.9
83.08602	1.3
85.10172	1.9
93.07040	0.7
95.08611	3.2
107.08584	1.1
109.10157	1.3
109.66471	0.6
125.57658	0.6
135.11713	0.7
157.84451	0.6
161.42288	0.6
163.11192	1.1
177.11665	0.6
227.12796	0.8
249.10982	23.8
301.52979	0.7
305.13559	7.1
313.27475	1.4
561.37628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27825	2.5
52.44436	2.5
53.03943	6.7
55.01861	10.6
55.05511	39.6
57.03426	9.4
57.07072	4.0
65.03927	6.0
67.05508	84.8
69.03424	4.6
69.07077	23.7
71.04984	15.3
71.08618	2.7
71.55663	3.2
73.58401	2.7
79.05078	4.5
79.05498	62.1
81.03419	16.3
81.06599	4.0
81.07059	79.4
83.04973	15.0
83.08617	20.2
85.02840	3.8
85.06536	4.8
89.91509	2.7
90.59465	2.6
91.05486	56.1
93.07047	64.4
95.04990	16.4
95.08606	49.6
97.06505	12.8
97.10181	28.7
105.07038	40.9
107.04935	6.5
107.08596	47.2
109.06534	6.9
109.10151	31.1
111.04422	8.6
111.08116	6.0
117.07030	26.1
119.08582	36.0
121.06498	6.3
121.10155	23.0
123.08073	6.8
123.11691	8.4
125.09639	18.0
128.06303	3.2
129.07013	11.3
131.08583	27.7
133.10127	23.2
135.08046	5.4
135.11693	26.4
137.09633	3.7
143.08577	7.7
145.06584	3.1
145.10123	34.8
147.11685	15.7
149.09621	6.3
149.13268	8.5
151.02364	2.8
151.11194	4.8
153.12729	7.2
155.08542	7.6
157.10115	9.9
159.11642	16.5
161.09622	5.0
161.13263	8.4
163.11191	13.9
165.12737	3.1
169.10104	8.7
171.11725	7.2
173.13229	10.4
177.12741	3.5
179.14253	3.5
181.12189	4.6
183.11832	3.8
183.13742	2.7
185.13283	6.9
187.14809	4.9
189.11223	8.4
191.06715	3.0
191.10741	4.6
193.12120	5.0
194.72603	3.3
195.11774	4.7
195.13715	3.5
197.13000	2.8
209.11681	4.9
211.13174	4.7
227.12787	30.0
245.13762	3.5
259.20645	3.4
261.22153	10.6
267.15884	8.2
273.22083	3.0
274.42307	3.4
277.21472	6.6
283.15311	14.4
299.23685	10.4
301.21738	3.4
313.21701	3.5
315.22556	3.8
317.24719	9.2
332.25345	2.7
335.25946	18.5
386.32776	2.9
389.26953	3.5
433.31067	5.4
451.31943	9.2
469.33099	12.4
487.33945	7.2
525.35815	18.2
529.38660	7.0
543.36859	98.1
561.38660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2518
Annotation	Chloramphenicol palmitate
Peak:m/z	Relative Intensity
63.13937	0.3
67.05511	0.4
69.03423	0.5
70.06612	0.4
71.04985	0.6
71.55865	0.4
79.05510	0.4
81.03428	0.5
81.07064	1.4
81.63224	0.3
85.02911	0.9
89.99686	0.3
91.05493	0.4
93.07063	0.7
95.04971	0.5
95.08604	0.8
97.02873	0.6
98.97586	0.5
99.04488	0.3
105.07076	0.6
107.08627	0.5
109.02905	0.6
109.06524	0.6
109.10164	0.5
118.21899	0.3
119.08602	0.3
121.06529	0.3
121.10169	0.5
123.08095	1.1
123.11690	0.7
124.80338	0.3
127.04037	0.4
133.10168	0.6
134.11722	0.3
145.02852	0.4
147.04436	0.7
149.06010	0.5
151.72482	0.3
169.12360	0.4
175.03873	0.5
177.05540	0.9
187.13318	0.4
189.05518	0.8
195.06618	0.7
207.06705	0.3
213.07506	0.4
219.17487	0.4
231.08740	0.8
249.14661	0.8
267.15704	0.8
317.08746	0.4
321.22363	0.3
333.07956	1.5
335.09534	2.8
355.08228	0.8
361.02341	0.9
385.02960	0.5
399.10791	1.1
403.03503	0.5
429.15765	0.7
429.21005	4.6
491.20984	0.7
519.20587	1.1
543.24121	0.4
561.25275	100.0
562.25696	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.7
69.03413	1.2
69.07058	0.5
69.26009	3.1
70.06575	0.5
72.08133	0.4
73.02898	0.8
80.53215	0.4
81.03424	0.8
84.08149	0.5
85.02919	1.6
91.05489	1.4
95.04964	0.4
97.02926	0.8
98.97590	1.2
107.08607	0.5
109.02935	0.7
110.07134	0.4
110.97601	0.4
116.98636	0.5
119.04936	1.6
127.03928	0.7
135.04382	0.5
137.05949	0.9
139.03923	1.0
147.04424	2.9
149.05986	0.5
152.13498	0.4
158.99652	0.5
159.04393	0.5
163.03932	1.2
168.06590	0.7
175.03937	1.8
177.00761	0.6
177.05521	0.6
178.04982	3.8
189.05493	1.0
192.13963	0.4
192.78072	0.5
193.04933	0.5
206.04497	5.3
207.06570	1.1
219.01685	0.5
223.10965	0.5
237.02774	0.5
275.07440	0.9
293.11356	0.5
330.34827	0.5
335.09491	4.4
399.19977	1.0
461.10184	0.4
461.19962	2.2
487.84302	0.4
498.13657	0.7
503.20978	1.2
516.51373	0.4
526.13574	0.7
531.24158	14.0
543.23578	0.9
561.17230	6.8
561.25159	100.0
562.25281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01867	2.2
55.05528	1.6
55.41353	0.9
56.96554	1.5
57.03430	1.8
60.08170	7.4
61.02931	2.4
65.03902	1.2
67.05504	1.5
69.03436	7.7
69.07061	3.3
71.04999	1.2
71.41197	1.0
71.54196	1.3
73.02900	1.2
79.05509	2.3
81.03404	5.2
81.07056	2.0
85.02901	12.6
86.09700	4.3
87.04456	1.1
91.05499	3.2
93.07040	1.9
95.04971	1.1
95.08617	1.5
97.02895	7.2
97.06538	4.0
98.97594	1.5
99.04407	1.6
105.07020	2.7
107.04918	1.4
107.08614	1.2
109.02881	3.1
111.00803	1.8
111.83132	1.1
115.05510	1.0
119.08584	1.9
121.06516	0.9
121.10169	1.3
123.04432	1.4
127.03920	4.0
128.06149	1.2
130.06509	1.1
131.04962	1.2
133.06519	1.5
133.10152	1.0
137.02335	1.6
139.03888	1.9
145.04900	1.1
145.06514	1.2
145.10091	1.1
147.04433	3.7
147.11765	1.1
151.03911	1.6
153.01840	50.5
159.11726	1.1
161.05991	2.9
163.03935	1.4
165.01817	3.2
173.06064	2.1
173.13237	1.0
175.03925	1.4
175.07524	2.0
177.05460	2.3
181.06439	1.6
187.07599	1.1
189.05502	5.4
189.09172	1.8
195.02887	1.0
199.07567	3.0
199.22035	1.0
201.03796	1.1
201.05478	3.4
215.07021	2.7
219.17526	1.2
227.07025	2.7
229.08665	3.3
234.23891	1.2
242.05751	1.9
245.08075	1.2
248.19141	1.1
249.14998	1.0
255.06561	5.8
257.71896	1.0
267.06409	1.4
269.04459	3.5
269.07922	1.3
270.05173	3.5
271.06049	3.1
273.07507	9.9
279.06973	1.1
281.08075	2.3
282.05298	1.4
297.04062	1.8
298.04785	3.5
299.05643	1.2
303.04977	1.7
307.09711	1.1
309.07578	4.6
311.05392	2.1
311.08914	1.2
313.03384	2.3
317.08279	2.6
326.04288	1.9
327.04950	4.1
327.08453	2.1
334.04791	1.1
335.09140	3.2
337.07156	2.3
339.04990	1.3
353.10123	1.4
355.08127	76.2
363.08630	3.7
381.09689	21.9
399.10757	100.0
502.28375	1.3
561.15607	23.8
561.23169	2.0
561.37189	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	560.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85856	1.7
55.05509	6.1
57.03432	4.6
57.07078	25.8
59.04984	2.2
67.05506	51.8
68.41908	1.7
69.07067	9.0
71.04981	16.6
71.08305	1.6
71.08649	20.8
79.05497	5.8
81.07063	16.4
83.08632	8.8
85.06577	3.0
85.10180	9.6
91.05481	6.5
93.07052	5.7
95.08611	17.1
97.10167	3.8
105.07064	2.9
107.08614	3.8
109.10159	42.2
114.35925	1.9
119.08581	5.1
121.10210	2.5
123.11758	2.9
135.06042	1.9
135.11703	6.5
137.09615	7.4
151.05028	1.9
155.10640	4.1
163.11182	2.3
173.11746	6.8
187.13330	1.9
208.07442	1.8
232.37105	1.8
255.15981	4.0
287.18512	21.4
313.27335	22.7
422.23276	2.1
427.15799	2.0
451.62500	2.0
467.37332	100.0
493.39050	3.5
525.41473	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18291	1.1
54.51890	1.2
55.01851	1.7
58.99856	2.0
69.03432	2.0
70.27428	4.4
70.99847	1.8
79.05513	6.3
80.46503	1.3
81.03416	3.0
82.99863	4.4
85.01402	2.5
85.02917	3.2
86.99345	1.3
91.05482	5.9
97.02880	2.9
101.00887	32.4
103.02441	4.0
105.00368	2.8
105.03401	2.3
109.02887	1.4
110.99285	1.3
113.00874	4.8
115.02400	2.6
119.01926	47.2
119.04973	7.2
121.01701	1.8
121.03535	1.4
127.02428	19.1
129.03391	3.3
131.01912	19.4
131.04926	3.3
133.03539	3.0
137.02956	3.3
139.02432	2.2
143.01906	83.0
145.03482	72.4
147.01389	4.7
147.04391	18.3
149.02934	2.3
155.01892	32.1
156.02573	1.8
157.03491	7.2
159.01448	1.5
159.03217	2.5
161.02972	100.0
161.05898	3.8
162.03125	1.7
163.02477	3.7
163.04477	6.0
165.05458	2.4
167.02019	1.6
169.03491	4.1
171.01387	14.8
171.02847	2.2
171.04901	1.7
173.02974	49.3
175.04076	5.2
177.05450	3.2
179.04025	1.6
179.05501	2.1
181.03470	17.5
181.05034	1.9
183.01401	4.5
184.04506	2.9
185.02986	8.2
187.02435	2.9
189.02599	13.1
189.04082	2.5
189.05460	44.6
191.05643	1.5
193.03430	3.1
193.05051	2.2
195.05023	2.9
196.04579	1.5
197.02956	2.9
199.00864	9.5
199.04469	3.3
201.02419	1.4
203.02110	2.9
203.04004	41.2
205.03529	16.5
205.05440	2.4
207.01466	1.4
207.04909	15.2
207.06740	7.9
209.02927	2.4
209.06766	1.5
211.04501	1.8
213.02419	1.8
215.01897	5.1
215.04019	3.7
217.01926	91.9
219.05061	3.6
221.02959	4.7
221.04984	26.1
223.04533	17.2
223.06633	5.4
225.02461	1.8
225.06197	5.6
229.03499	4.1
229.05588	1.8
231.03383	13.5
233.02945	30.8
233.05034	2.5
235.02725	21.7
237.06123	10.0
239.04126	1.8
241.05661	3.1
245.02940	1.8
245.05125	1.8
247.04561	23.9
249.04561	4.9
251.04002	9.5
253.05737	2.5
257.02890	34.7
257.05173	4.8
258.04642	2.9
259.02899	3.7
259.04834	2.7
261.06073	3.9
265.05582	26.8
265.08188	2.0
269.02917	3.6
271.04474	2.2
273.04343	11.0
275.03925	19.9
277.03989	39.1
279.07190	1.6
283.06766	6.7
287.03818	4.8
287.06543	7.9
288.07123	1.4
289.05603	19.0
291.07025	5.0
293.05048	8.7
293.08069	1.4
295.50375	1.5
301.04608	4.8
303.03778	1.6
307.06635	27.7
309.08148	3.2
311.06241	2.3
317.05051	5.7
319.05862	7.3
325.07819	7.0
331.03064	2.9
331.06729	4.0
335.06116	3.8
337.06100	15.9
345.04544	2.6
347.06158	2.9
349.07684	55.7
351.08893	1.9
353.07367	2.9
359.05981	5.4
361.07635	2.1
363.05463	11.7
363.09229	1.8
367.08749	1.8
369.10580	8.4
377.07214	9.0
379.08771	1.9
381.06543	10.9
385.09424	1.8
387.09567	8.6
391.08990	3.5
395.08328	14.2
397.08307	2.3
399.07486	2.1
409.09882	14.1
423.07819	8.3
427.10962	22.0
431.08780	1.8
445.11780	6.9
450.12369	1.9
451.67639	1.6
461.09845	1.6
525.10712	2.0
543.11932	56.4
561.13055	76.9
561.24939	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	560.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
53.83300	1.2
55.01873	8.5
55.05516	14.0
57.03436	14.3
60.35937	1.5
61.22495	1.2
62.82989	1.2
62.83350	1.2
67.05508	20.3
69.03413	3.1
69.07049	4.6
71.04985	3.5
71.29390	2.9
76.21387	1.4
79.05487	22.7
81.03416	59.1
81.07059	25.0
82.07381	1.5
83.01336	4.8
83.04974	10.2
83.08614	18.8
85.02877	1.9
91.05486	24.6
93.07043	26.8
95.04963	17.1
95.08611	11.7
97.02877	2.3
97.06506	3.6
97.10168	6.3
99.16468	1.3
105.07033	16.2
107.04960	11.1
107.08581	12.1
109.06499	8.1
109.10127	3.6
111.04401	3.8
111.08056	5.8
115.05392	1.9
117.07017	8.0
119.08586	16.9
120.08899	1.7
121.06485	5.4
121.10144	9.5
123.08057	6.7
125.09591	4.7
129.07045	7.8
131.08568	12.2
132.08868	1.5
133.06439	2.6
133.09126	1.4
133.10086	6.1
135.08049	2.9
135.11691	5.5
137.09618	2.0
142.07761	2.3
143.08527	2.5
145.06482	2.9
145.10112	11.1
147.08040	4.7
147.11673	5.9
149.09648	6.4
153.09090	1.6
153.12709	2.5
155.08566	2.0
157.10127	7.5
161.05968	1.7
161.09581	1.5
163.11174	15.6
169.10138	1.3
171.08026	1.8
171.11781	1.5
173.09599	3.9
173.13297	1.4
175.11180	6.7
176.11699	1.4
181.12199	2.2
183.11708	1.9
185.13216	1.9
189.11266	3.0
191.10693	3.3
193.12198	12.8
209.11751	3.0
211.13205	3.0
227.12788	5.1
249.14772	2.1
257.18829	1.4
267.15909	44.6
273.14838	1.6
276.20364	2.2
283.12442	2.2
283.15393	33.4
289.14276	1.9
355.22784	1.6
363.21585	1.7
365.20917	3.4
383.22159	22.8
401.23376	9.8
419.24438	1.6
439.24814	3.5
457.19360	2.1
457.25854	33.4
475.26917	100.0
493.27823	9.4
542.35840	7.7
560.36566	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	560.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79097	0.3
52.98479	0.3
55.01867	0.5
55.05520	2.8
56.96556	0.3
57.03429	0.3
57.07064	2.4
58.32243	0.3
65.03944	0.6
67.05497	1.0
69.03425	1.6
70.72211	0.7
72.30138	0.3
73.06570	0.4
74.21814	0.3
79.05488	0.7
81.03417	1.8
81.07052	1.0
81.91385	0.3
83.04967	0.3
83.08619	0.4
85.02914	2.9
87.00834	0.8
91.03990	0.3
91.05479	0.8
93.07037	0.6
95.04965	0.3
95.08624	0.4
97.02885	1.1
97.06519	0.3
99.04462	0.4
105.01856	0.5
105.07020	0.8
107.08585	0.6
109.02879	1.1
109.06532	0.3
109.10165	0.3
111.04474	0.4
119.08559	0.5
120.08122	0.5
120.70224	0.3
121.02863	2.1
121.03960	0.3
121.10149	0.3
125.05830	0.3
127.03947	1.5
131.08598	0.6
145.04936	0.3
146.05981	0.7
149.02345	100.0
157.10258	0.3
159.02916	0.5
163.03897	0.3
163.11128	0.5
167.03441	1.0
190.04996	0.4
191.10889	0.2
203.07097	0.7
205.08611	22.7
213.49500	0.3
221.08134	1.0
255.45465	0.3
277.14368	12.4
295.15387	1.7
301.03207	0.3
313.03430	0.6
355.08163	0.4
399.10822	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
54.52081	1.2
54.58630	1.3
55.01884	8.4
55.05514	35.6
57.03442	8.2
57.07087	2.4
58.54179	1.2
65.03950	2.6
66.36767	1.3
67.05511	40.5
69.03436	5.6
69.07076	21.6
70.93473	2.1
70.93797	1.7
71.04997	4.1
71.08643	3.7
79.05500	43.4
79.44070	1.4
81.03419	19.3
81.07060	44.7
83.01330	1.8
83.05000	9.4
83.08618	21.9
85.02906	3.8
85.06548	4.7
86.09705	3.2
87.10041	1.9
91.05482	44.3
93.07053	39.3
95.04966	14.1
95.08610	24.9
97.02892	3.4
97.06550	6.3
97.10177	22.7
99.08120	2.4
103.05454	2.7
105.04543	1.9
105.07040	37.1
107.04963	7.9
107.08596	27.7
109.06519	6.0
109.10164	14.6
111.04423	2.3
111.08070	5.0
113.05985	2.0
115.05511	2.4
117.07020	22.3
119.04989	1.3
119.08592	33.7
121.06517	6.9
121.10144	12.1
123.08071	4.7
123.11735	3.7
125.09621	21.3
128.06207	3.3
129.07016	16.3
131.08580	29.3
133.06503	2.8
133.10146	20.8
135.08080	6.4
135.11693	12.8
137.09615	2.4
141.06987	4.7
142.07829	2.1
142.16936	1.4
143.08578	16.8
144.09352	2.0
145.06427	1.9
145.10132	23.8
147.08052	3.8
147.11685	17.6
149.09641	5.5
149.13332	4.0
151.11229	2.8
153.09163	2.9
155.08577	8.3
157.06575	1.7
157.10147	12.5
159.08119	2.9
159.11693	14.7
161.09628	3.2
161.13258	10.6
162.95609	3.3
163.11191	9.9
163.14923	2.1
164.85930	1.5
167.08574	3.4
169.10141	9.0
171.08058	2.1
171.11694	13.9
171.89743	1.6
173.09637	4.3
173.13306	10.4
175.11253	3.0
175.14825	2.9
177.12730	1.8
179.14357	4.2
181.10153	4.1
181.12186	2.5
183.11711	8.5
185.09718	2.4
185.13266	10.1
187.11273	1.6
187.14870	4.2
189.11269	13.1
189.12680	3.3
191.10764	2.1
193.10269	2.8
193.12274	3.8
195.11754	4.7
197.13353	6.3
199.11240	2.2
199.14876	6.2
201.12775	2.8
203.14365	1.9
205.12233	1.7
207.11833	1.4
209.11562	2.1
209.13307	4.0
211.14948	2.8
213.12773	2.3
213.16458	1.9
221.13307	3.2
223.14946	3.6
225.16408	3.2
227.12752	21.6
227.14589	1.8
229.12343	1.7
239.17986	2.3
241.19603	5.7
257.18988	7.7
259.20639	15.5
267.15967	5.8
275.20114	10.3
277.21695	5.3
283.15384	10.4
289.21634	1.6
291.19583	1.9
293.21313	3.0
297.22134	14.7
309.22067	1.4
315.23267	13.5
331.22641	3.2
333.24414	6.1
349.23865	4.2
371.26306	2.4
413.27774	1.8
421.31064	2.2
431.29523	5.7
439.32071	2.4
449.30356	10.9
467.31583	13.1
485.32474	11.9
500.22272	3.8
513.35870	6.8
523.34314	11.1
531.36847	3.7
541.35284	100.0
559.36377	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37402	1.1
53.03942	4.9
55.01873	11.2
55.05513	31.3
57.03429	8.2
57.07071	2.5
59.05012	1.4
65.03928	4.4
67.05504	49.4
69.03423	4.0
69.07066	22.0
71.05003	6.0
71.54950	1.7
77.03930	1.9
79.05493	47.6
81.03423	39.0
81.07055	44.7
83.04987	10.4
83.08618	21.0
85.02905	10.3
85.06552	3.1
91.05484	47.9
93.07040	37.9
95.04971	20.2
95.08611	29.4
97.02874	1.9
97.06527	12.0
97.10182	13.4
99.08067	1.6
103.05485	2.1
105.07027	45.4
107.04948	12.6
107.08600	37.9
109.06505	9.0
109.10139	14.4
111.04462	1.5
111.08099	7.4
113.06018	1.5
113.09628	2.2
117.07007	14.7
118.07776	1.4
119.08580	35.0
121.06522	6.2
121.10150	11.3
123.08074	4.4
123.11702	5.5
125.09615	12.4
129.06981	13.3
130.07777	2.2
131.08571	25.3
133.06519	4.1
133.10139	22.6
135.08072	4.9
135.11702	7.0
137.09648	2.8
140.92915	1.2
141.06960	2.8
142.07813	3.6
143.08563	8.6
145.06480	4.0
145.10130	22.2
147.08057	3.4
147.11693	22.2
149.09624	16.4
149.13309	1.8
151.11230	2.0
153.09129	1.9
155.08618	4.2
156.09319	1.4
157.10138	13.1
159.08075	1.7
159.11693	12.9
161.09628	2.6
161.13283	4.1
162.97717	1.3
163.11180	8.2
165.12772	2.5
169.10115	8.7
171.07996	1.6
171.11644	8.2
173.09647	2.3
173.13307	3.7
175.11148	8.8
177.12762	2.3
179.14369	4.9
183.11732	7.3
185.13281	5.9
187.11256	3.0
187.13188	1.2
187.14882	2.7
189.09644	1.1
189.11208	8.0
189.12686	1.6
193.10486	2.2
193.12239	22.0
195.11716	2.8
197.13377	3.5
201.12759	1.6
209.13348	1.9
211.13280	25.8
215.14407	1.5
227.12733	10.0
229.19598	2.4
233.15363	1.7
239.18083	3.8
247.20670	1.9
257.18985	10.2
267.15887	23.8
275.20062	40.3
281.19012	1.6
285.17010	2.3
293.21249	3.3
297.22064	1.6
299.20123	4.8
313.21689	3.1
315.23361	3.1
317.21170	2.1
331.22562	2.8
349.23785	8.6
373.23761	2.0
385.24152	2.1
388.98587	1.2
403.25244	1.4
431.29340	2.9
447.27463	2.1
449.30573	7.2
466.18381	1.3
467.31891	7.5
485.32632	3.6
523.34192	5.4
541.35278	48.2
559.36334	100.0
576.76166	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2155
Annotation	Roritoxin B
Peak:m/z	Relative Intensity
55.02397	0.3
56.96342	0.3
56.96564	2.6
60.12778	0.4
60.89153	0.3
66.04939	0.3
66.83192	0.4
67.10369	0.4
69.03439	0.6
70.78986	0.4
71.00494	0.4
71.55274	0.4
72.08164	0.7
83.04974	0.4
84.08138	0.9
84.96016	1.0
85.02898	0.5
85.03395	0.3
86.09707	0.6
89.78902	0.4
91.05485	0.5
97.95448	0.4
98.97581	9.8
109.06496	0.5
110.97565	2.0
116.98596	2.3
117.03365	1.3
119.04918	0.5
121.10076	0.4
124.99109	0.8
128.98630	2.0
131.00189	0.6
134.99683	0.7
143.00169	1.6
145.02840	4.1
146.99644	0.5
147.04478	0.5
158.99696	0.8
161.01244	0.7
170.11765	0.5
170.99640	2.0
177.00792	1.0
177.05490	6.7
179.02319	0.4
181.04988	0.5
182.99654	0.9
183.03276	0.5
189.00757	1.3
189.05504	0.7
201.00742	1.5
209.70549	0.4
219.01749	2.2
231.01823	0.9
234.11264	3.3
237.02901	1.8
239.09622	1.8
249.02811	4.6
265.11093	2.5
267.03925	0.6
279.06464	0.4
283.12222	2.6
289.11035	0.7
291.03873	5.1
307.12186	1.3
325.13385	1.0
339.08600	1.0
347.11703	2.2
362.18472	0.9
365.12732	0.5
367.08087	1.7
371.55173	0.4
379.06549	0.4
391.13968	0.4
409.15234	0.7
427.16428	2.8
429.83090	0.5
430.18375	0.7
439.16351	4.7
445.17371	0.9
541.18982	0.8
559.21344	100.0
560.21661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55745	0.2
56.96575	0.5
65.36525	0.3
67.04662	0.3
67.05508	0.4
69.03442	0.4
70.06599	0.4
72.08161	0.3
81.03419	0.4
81.07059	0.3
83.04995	0.2
84.08141	0.4
85.02924	0.7
86.09719	0.7
91.05492	0.3
93.07070	0.3
95.08624	0.4
97.02882	0.4
97.06602	0.3
97.66601	0.3
98.97594	0.9
105.07051	0.3
107.08658	0.4
110.67637	0.2
110.97614	0.2
111.04453	0.3
119.04978	0.3
119.08617	0.3
121.10151	0.4
127.03919	0.3
133.10207	0.3
136.07582	0.3
137.06047	0.4
144.24867	0.2
147.04462	0.5
151.03934	0.2
152.97858	0.2
161.06064	0.3
163.03969	0.9
166.08722	0.6
177.05521	0.6
189.05482	2.2
203.05347	0.5
217.15933	0.6
223.07552	0.3
235.07590	0.3
235.17030	0.7
237.02919	0.3
250.06421	0.3
253.69685	0.2
265.11218	0.4
279.06592	0.6
282.59030	0.3
283.12216	0.7
307.06317	0.6
321.07620	1.2
325.07214	0.9
335.05688	0.5
339.08713	0.8
349.07104	1.3
367.08090	1.7
379.20886	0.9
385.09167	0.3
397.21823	1.5
439.23093	0.7
541.13409	0.9
559.27527	100.0
560.28186	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
67.05495	0.3
69.03395	0.4
69.66856	1.3
69.67263	0.5
70.04144	0.3
70.06597	0.4
75.36797	0.3
82.05145	0.3
84.47809	0.3
85.02889	0.3
85.23067	0.2
87.04513	0.3
96.05077	0.3
97.02894	0.6
98.97601	0.6
119.04977	0.4
133.53600	0.3
135.04468	0.7
136.22482	0.3
143.00212	0.3
145.02866	0.4
154.46756	0.3
156.55688	0.3
163.03912	3.4
165.05484	0.8
169.03479	0.6
174.83873	0.3
177.12791	0.3
189.05478	0.5
203.03983	0.3
210.13170	0.3
215.03279	0.3
225.07698	0.6
233.04236	1.6
247.05888	0.7
252.98038	0.4
265.06900	4.6
271.19547	0.3
275.07465	0.9
317.08499	2.7
335.09488	11.6
339.08887	0.3
417.13913	0.3
419.15909	0.3
427.12036	0.6
497.62527	0.3
529.22577	0.6
559.16351	100.0
559.23395	5.9
560.16913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
56.96562	1.6
57.03444	5.1
61.02935	1.3
67.05498	1.5
69.03438	9.7
70.06579	2.0
71.01344	1.3
71.04992	2.0
71.55492	1.4
73.02921	1.4
79.05499	1.6
81.03413	3.9
83.05010	1.5
84.04477	1.0
85.02919	2.3
86.09714	1.6
91.05504	1.3
97.02899	3.4
98.97575	4.2
99.04459	2.8
105.07030	1.3
109.02900	1.7
110.97544	1.2
115.03880	1.0
116.98656	1.1
117.05473	1.7
119.04964	2.9
122.11430	1.0
127.03920	2.3
131.00121	1.2
133.07614	5.4
133.32681	1.0
137.05980	5.3
138.05504	3.2
145.02846	1.8
147.04430	8.7
157.04007	1.3
158.99593	1.3
159.05630	1.9
163.03885	2.1
166.05037	4.7
170.99660	1.4
175.05078	2.2
177.00739	1.1
177.05238	1.5
177.06618	18.6
179.07066	2.5
181.04947	1.6
181.65469	1.0
189.05444	3.4
189.06790	2.4
203.04590	2.4
205.06447	1.6
215.08238	1.5
218.48488	1.0
219.01952	1.5
221.05591	93.9
223.06186	1.5
228.03886	1.4
231.08652	1.1
246.05113	25.8
250.06345	1.3
278.05472	1.2
279.06607	2.0
293.11295	7.7
299.14877	1.7
319.09119	2.1
324.06467	1.3
333.07819	2.1
335.09479	10.4
337.10342	23.2
339.08752	2.5
349.06598	1.4
362.09824	2.1
367.07965	10.3
380.10883	100.0
385.09134	2.0
541.22534	1.9
542.16211	50.4
559.23517	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01867	1.4
55.05507	1.2
57.03429	1.0
61.30896	0.8
64.37750	0.8
65.03929	2.6
65.42024	0.7
66.04709	1.1
67.05491	1.5
69.03426	1.3
69.07073	1.0
69.67033	4.3
70.06593	1.0
76.65314	0.8
78.87052	0.8
79.05474	1.8
81.03417	2.0
81.07030	1.8
83.05006	1.3
85.02900	2.3
87.04456	0.8
89.03918	10.4
90.04729	1.0
91.05490	5.8
93.07070	1.0
95.04967	1.4
95.08600	1.6
97.02908	2.0
97.06532	1.9
98.97596	1.1
105.03382	3.9
105.07029	1.3
107.04945	1.7
107.08569	2.1
107.39021	0.7
109.10233	0.9
110.97537	1.0
117.03369	7.1
118.04156	10.0
119.04945	4.6
121.02750	0.9
121.06493	1.5
121.10109	1.0
123.11720	0.8
129.03374	6.5
131.04904	1.4
133.02843	6.0
134.03613	1.8
135.04443	4.7
140.61603	0.8
145.01772	1.4
145.02852	18.9
146.03600	3.5
147.04436	7.5
149.05965	2.0
151.03844	1.3
152.06230	2.0
153.07034	0.9
159.04425	1.6
161.02324	3.4
161.05991	2.4
162.03166	4.7
163.03912	12.4
165.06981	1.4
167.08510	1.8
173.02351	40.1
175.03880	3.1
176.04668	2.7
176.06087	2.1
177.05455	8.9
177.07013	5.2
178.02583	1.2
178.07726	1.2
181.06511	2.3
189.05473	38.2
191.03438	5.4
195.08051	2.5
203.03415	18.7
203.14915	0.8
204.04175	21.4
205.04926	14.1
205.06531	9.4
209.05957	0.8
215.07126	0.9
221.05925	1.4
223.07574	6.2
233.05968	10.3
234.06712	0.9
237.05365	2.0
245.05945	1.0
250.06207	1.3
251.07040	5.1
261.05463	7.5
279.06445	6.6
289.04935	4.7
293.08115	2.3
307.05988	12.1
317.04303	2.8
321.07492	2.6
335.05508	23.0
349.07077	100.0
353.06549	1.2
367.08121	64.4
509.10361	1.0
541.13257	1.8
548.65192	0.9
559.16803	2.0
559.27338	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
55.16407	0.4
56.96548	0.6
61.02917	0.4
67.05482	1.5
69.03403	1.0
69.07056	1.2
69.35529	1.7
69.35956	2.0
71.04991	0.5
75.04456	1.4
79.05456	1.0
81.03398	1.1
81.07014	0.7
83.04958	1.6
83.50159	0.4
85.02885	1.0
91.05447	1.2
93.07024	0.7
95.05005	0.7
97.02886	0.7
97.06516	1.1
98.97552	0.5
100.11241	0.5
100.22188	0.5
105.07043	0.7
109.02857	0.7
111.04435	0.9
118.12270	0.4
119.04937	0.6
127.03848	0.9
131.08595	0.6
135.04430	2.0
136.06197	0.5
145.02829	1.0
145.10114	0.9
147.04425	1.2
152.06181	2.0
157.10435	0.5
163.03873	2.7
163.05202	0.6
165.07014	0.8
173.02347	0.7
175.03897	1.1
177.05513	0.9
177.07005	2.5
181.06581	0.8
185.50047	0.5
189.05435	2.4
190.04358	0.5
191.03375	2.0
191.04921	1.4
195.04425	0.5
195.08002	0.6
204.05753	0.7
205.06540	3.0
208.05206	3.1
210.14928	0.6
212.04677	2.5
218.03627	1.6
219.04410	2.2
220.05241	1.4
221.05943	1.9
223.07465	2.5
233.06024	2.7
234.06720	0.9
236.04675	52.6
237.05464	21.4
237.07925	0.7
238.06119	0.6
240.01900	0.7
240.04182	5.6
241.34576	0.5
246.03116	7.8
247.03891	2.0
248.04593	0.9
249.05426	2.7
250.06296	3.3
251.03421	1.4
251.07040	3.8
254.05678	0.9
259.09528	0.5
261.05444	0.9
263.03467	0.7
263.06836	0.6
264.04184	20.1
265.04932	8.5
268.03729	0.9
268.07187	0.9
275.03418	1.9
277.04993	1.1
279.02908	6.5
279.06516	12.7
281.04462	1.5
282.05298	1.0
283.09656	0.9
289.04926	3.4
292.03653	100.0
293.04401	2.9
296.03165	1.9
296.06711	0.9
297.03952	0.8
303.02887	1.5
306.08868	0.5
307.05991	10.8
308.06696	1.1
311.09119	18.9
321.07501	0.7
325.06909	1.6
335.05487	90.3
336.05911	0.7
339.08633	40.3
349.06943	0.9
352.05637	3.3
367.08118	82.0
368.08456	0.6
383.09705	0.9
397.12625	0.7
397.25665	0.8
438.05972	0.5
453.20401	0.5
559.31543	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	558.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01857	2.3
55.05512	19.2
57.03190	1.4
57.03442	16.8
57.07079	36.4
59.04999	1.1
67.05505	27.9
69.03417	3.4
69.06792	0.9
69.07079	10.4
69.32071	9.2
69.90878	1.0
70.06641	0.9
71.04991	4.7
71.08638	29.5
79.05061	1.8
79.05499	21.5
81.03422	47.7
81.07055	34.2
83.04980	15.3
83.08156	1.7
83.08623	26.9
85.02385	1.1
85.02909	19.0
85.06546	2.1
85.10189	15.1
89.06042	3.5
91.05484	28.3
93.06570	1.2
93.07048	14.7
95.04967	19.4
95.08609	27.3
97.02907	2.4
97.06535	2.8
97.10180	6.8
98.20781	1.8
98.91900	1.0
99.08054	1.2
99.36975	1.1
103.07570	1.3
104.13975	1.0
105.07038	17.8
107.04958	5.4
107.08592	5.2
109.06505	4.0
109.10150	9.7
111.04446	1.7
111.08089	8.3
113.05994	2.2
115.05455	1.9
117.07008	2.0
119.08588	14.4
121.10134	7.4
123.08077	2.5
123.11697	4.9
124.05236	1.0
129.07021	10.0
131.08585	9.5
133.06488	2.6
133.08624	1.4
133.10123	10.4
134.70094	0.9
141.06918	1.1
142.07797	1.7
145.10107	1.3
147.08029	2.8
147.11705	13.2
149.09625	5.0
151.33406	1.2
157.10150	13.7
165.12781	1.8
175.11189	12.5
193.12253	38.3
211.13298	65.4
239.23737	2.8
257.24756	1.5
267.15912	20.3
284.26563	1.8
285.16971	70.2
285.27142	1.5
287.23721	1.1
313.27365	100.0
505.38757	13.9
523.39960	79.7
523.45837	0.9
523.48273	1.8
558.53583	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	558.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17028	1.3
53.03937	1.7
55.05515	13.9
55.37398	1.3
57.03443	13.0
57.06839	1.9
57.07086	29.8
67.05510	15.7
69.03424	2.0
69.07069	9.9
71.05001	3.3
71.08637	19.4
71.46987	2.1
79.05499	10.6
79.32374	1.4
81.03423	44.0
81.07061	22.2
83.04995	9.0
83.08624	21.6
85.02907	13.1
85.10189	9.8
91.05502	14.9
93.07066	8.4
95.04972	16.2
95.08619	17.1
97.02905	1.6
97.06533	2.0
97.10165	5.4
100.43346	1.5
105.07034	7.2
107.04948	4.2
107.08591	4.9
108.18520	1.4
109.06496	3.5
109.10143	9.5
111.04416	2.5
111.08071	6.1
113.05997	2.1
118.88941	1.4
119.08570	9.4
121.10142	4.7
123.11697	4.4
126.93463	1.4
129.07021	6.7
131.08598	7.8
131.10425	1.4
133.06480	2.5
133.10132	4.7
142.07805	1.9
147.08026	2.7
147.11668	10.5
149.09633	3.3
157.10144	10.4
175.11211	10.4
193.12245	30.7
211.13316	55.6
211.15321	3.3
222.26344	1.4
241.85834	1.5
267.15872	10.0
284.26685	2.0
285.16977	41.3
313.27374	61.3
330.09833	1.5
385.62402	1.5
391.17038	1.5
505.38788	8.9
523.39990	100.0
558.53577	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	557.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04366	0.7
53.03937	0.7
53.51857	0.6
57.95281	0.7
67.52374	0.6
69.03430	6.6
69.34231	0.6
69.68247	2.0
69.68675	2.0
74.93930	0.6
78.40193	0.6
81.03401	1.9
83.04949	0.7
85.02919	4.1
91.05487	6.0
92.71435	0.6
95.04938	0.8
97.02888	2.1
101.75881	0.5
103.05459	2.8
105.03363	1.1
109.02885	1.7
111.04405	0.8
111.36593	0.6
114.80566	0.6
115.05444	1.6
116.22324	0.6
117.07038	0.7
118.04147	1.5
119.04940	7.0
127.03909	1.5
129.03365	16.5
131.04929	5.1
132.05695	0.7
133.02927	1.0
133.06517	1.2
143.04968	0.9
144.05724	4.3
145.02844	2.6
145.04942	0.7
145.06534	0.7
146.03654	0.7
147.04425	6.8
159.04416	6.6
160.93283	0.7
161.05998	6.8
175.03944	2.2
175.05994	1.2
177.05489	2.3
179.07016	1.0
179.08574	0.7
187.03923	5.8
189.05479	100.0
190.07790	2.1
191.06993	1.3
191.08585	3.3
193.04930	0.9
202.06210	8.4
202.07770	0.9
203.03331	1.0
203.07022	10.0
203.08707	1.0
205.04964	8.5
205.06651	1.4
207.06525	2.7
217.04895	1.1
218.07306	1.7
219.06450	2.0
219.08269	4.2
229.06509	1.9
231.08221	0.9
233.05910	0.8
235.07626	1.1
246.06731	0.9
247.07570	4.6
248.08400	0.8
257.05923	1.8
263.07013	1.7
264.07870	0.7
265.08618	1.8
267.10287	0.9
275.07043	5.6
277.08691	1.3
279.10245	2.3
285.05435	1.5
289.08676	3.3
293.08344	0.9
303.06503	2.9
307.09564	5.1
317.08060	8.9
319.09662	0.9
331.05960	1.0
335.09198	6.4
339.12079	1.3
345.07428	4.1
349.10507	2.0
363.08606	20.3
367.11819	1.8
377.10187	6.8
395.06473	1.2
395.11255	12.7
400.10406	0.8
452.94266	0.7
525.13635	1.2
539.16156	0.8
557.16443	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	556.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.05520	25.9
55.05748	4.3
56.28417	3.7
57.03427	16.5
57.07077	25.9
63.54285	3.6
67.05506	22.5
69.07073	35.2
69.31933	36.6
71.04980	5.1
71.08617	14.0
79.05482	16.7
81.03414	36.6
81.07057	34.0
83.04961	8.8
83.08628	39.6
85.02901	15.4
85.10176	7.0
89.06020	40.7
91.05438	22.0
93.07040	15.6
95.04957	15.0
95.08600	15.7
97.06470	5.2
97.10172	22.8
105.07049	14.8
107.08610	5.1
109.10175	5.8
111.08115	6.3
111.11723	8.5
119.08559	14.2
121.10152	11.9
126.08840	3.6
126.48933	4.0
129.06972	6.5
131.08537	6.8
133.08614	20.0
133.10139	8.1
135.11670	6.2
143.72577	4.6
147.11684	7.5
157.10077	9.4
175.11194	8.2
177.11147	10.6
193.12231	31.1
197.96208	3.8
211.13286	48.9
215.30283	4.4
234.15878	5.0
252.89105	4.3
256.26453	3.8
267.15976	15.7
283.26324	67.0
285.17001	53.9
300.28922	5.3
311.25882	80.7
311.29449	12.7
371.22766	18.3
503.37320	18.1
521.38367	100.0
539.88629	4.6
556.52991	76.6
570.70905	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	556.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01871	2.5
55.05513	9.1
57.03441	8.6
57.07079	27.3
57.60799	0.6
67.05505	15.9
69.03413	1.6
69.07072	8.6
69.23071	7.1
70.06590	1.7
71.04987	2.3
71.08635	19.4
73.02914	1.0
79.05069	1.1
79.05498	16.5
80.63977	0.6
81.03422	1.7
81.06585	1.3
81.07057	20.2
83.04984	2.1
83.08620	11.9
85.06544	0.8
85.10181	11.6
88.07617	1.1
89.06040	4.4
91.05474	5.3
91.47573	0.7
93.07047	25.1
95.04983	4.8
95.08607	34.1
95.15601	0.7
97.02889	3.2
97.06532	2.5
97.10170	3.9
99.04458	2.8
102.09167	0.8
103.07579	1.3
105.07036	5.0
107.04960	5.7
107.07869	1.2
107.08598	19.0
109.06513	0.7
109.10155	6.5
111.08045	0.7
117.07027	6.2
119.08570	6.7
121.06544	4.2
121.10142	9.0
123.11722	2.5
125.06013	3.2
130.07784	1.1
133.08609	1.4
133.10121	1.8
133.53055	0.7
135.08070	1.9
135.11696	36.3
139.07542	1.6
145.10132	19.2
146.11728	1.0
163.11188	46.2
171.99475	0.7
173.09616	0.8
181.12234	6.6
209.11716	1.6
227.12791	67.6
239.23747	1.3
243.97333	0.6
256.26312	1.3
257.24625	1.8
283.15405	73.4
283.26199	5.1
300.28860	4.2
313.27374	100.0
371.22656	1.1
467.88797	0.9
521.38391	78.4
556.53009	13.6
579.00201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	6.3
53.03931	3.8
53.09902	2.4
55.01878	4.5
55.05514	21.0
57.03439	17.6
57.07076	45.0
57.21580	2.5
59.04988	3.9
67.05506	31.3
69.03444	3.3
69.07066	8.3
71.04533	6.7
71.08635	32.6
76.70469	2.7
79.05482	10.2
80.15438	2.7
81.03411	5.1
81.07059	27.5
83.08620	23.5
85.10188	13.7
89.06048	4.4
91.05485	23.6
93.07027	18.0
95.08607	24.5
97.02897	2.9
97.10144	3.8
99.00822	21.5
105.07043	20.4
107.04965	6.8
107.08598	10.0
109.02883	10.0
109.10162	16.6
115.03943	2.9
117.06976	4.1
119.08567	8.4
121.06555	7.2
121.10174	3.1
123.11712	8.6
131.08507	3.7
133.06505	3.0
133.10136	35.7
135.08060	3.4
143.08563	4.4
146.05356	2.7
151.11182	10.4
161.09651	19.1
170.21713	3.4
171.08189	2.9
179.10667	11.7
189.09105	11.6
203.04099	3.0
207.10173	4.4
225.11230	25.4
243.12302	6.0
281.13885	5.8
299.14899	100.0
313.27368	95.6
383.24142	4.3
495.33282	8.1
513.34106	9.6
537.37854	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	555.2928
Annotation	Acrovestone
Peak:m/z	Relative Intensity
50.64272	1.8
55.05490	3.6
57.03447	2.8
57.07057	7.1
67.05521	9.7
69.07044	4.9
71.06643	4.2
71.08616	4.3
73.99551	1.8
75.70520	2.0
76.12836	1.7
79.05476	3.6
81.03421	2.5
81.07041	10.3
83.04987	2.1
83.08613	2.9
85.10152	3.1
91.05493	2.9
92.86244	1.8
93.07041	4.1
95.08595	5.5
97.10159	2.0
98.97574	6.1
98.98456	13.7
107.08604	2.5
109.02861	2.2
109.10146	4.8
112.25301	1.9
112.99127	2.8
116.98621	2.1
130.49564	2.0
131.08601	2.2
133.10149	2.5
135.11684	3.0
145.10152	2.9
155.01025	22.6
168.12312	2.0
173.11656	2.3
173.37231	2.1
239.23590	3.8
252.13686	2.0
270.87357	1.8
278.82181	2.0
293.05417	4.3
313.27332	20.3
317.06277	2.3
319.19278	2.6
337.20389	5.8
376.63531	2.1
393.23953	2.3
555.29150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01872	1.0
55.05513	3.3
57.03423	1.1
57.07057	1.1
61.02918	1.4
67.05504	1.9
69.03428	4.0
69.07065	7.7
69.26917	3.8
69.60320	0.4
70.06577	0.6
71.04993	2.0
72.08132	0.5
72.77131	0.4
73.02903	1.2
73.63662	0.4
74.99561	0.4
78.40550	0.4
79.05492	3.0
81.03395	1.2
81.07059	9.8
83.04977	0.4
83.08618	5.3
84.08112	0.5
85.02908	17.4
85.06543	1.5
86.09725	0.4
87.04456	0.5
90.42780	0.4
91.03953	0.7
91.05478	2.5
93.07053	7.7
95.04971	0.7
95.08608	20.1
97.02890	4.8
97.06538	0.6
97.10159	4.0
98.97546	0.5
99.04439	1.0
99.08094	11.0
101.30546	0.4
105.07039	2.8
107.08594	24.0
109.02901	2.4
109.10150	5.8
111.08083	4.1
113.09649	1.4
115.03900	0.5
119.04947	0.9
119.08580	1.5
121.10146	38.7
123.08076	0.6
123.11713	1.7
125.09619	2.9
125.13235	0.7
127.03918	4.5
132.65082	0.4
133.07628	0.5
133.10181	0.6
133.87917	0.4
135.11690	7.2
137.05965	0.7
137.13251	5.0
142.03241	0.4
145.04967	8.0
145.10011	0.4
147.04387	1.0
147.11664	0.4
149.13257	2.6
159.11736	0.5
163.06023	4.2
175.14876	0.6
177.16388	100.0
181.84793	0.4
195.17447	22.5
207.13876	0.4
213.18495	47.1
225.14914	1.7
243.15898	0.9
267.12488	0.5
323.53290	0.4
325.11212	1.5
356.75702	0.4
357.22607	0.7
375.23923	1.8
572.56171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66815	1.6
53.03955	1.6
56.96588	1.8
57.03445	8.3
61.02911	3.8
65.03934	3.0
65.99207	1.5
67.05502	9.0
69.03429	9.6
69.32938	5.4
69.33366	6.1
71.04980	1.7
73.02927	20.9
79.05478	5.0
79.81445	1.5
81.03415	3.3
81.07046	3.1
83.04917	1.6
85.02914	13.3
86.09709	2.9
89.03917	2.2
91.05482	40.0
93.13304	1.6
95.04979	16.0
97.02897	13.6
98.21477	3.1
98.97553	2.1
99.00848	1.8
99.04417	1.8
103.03944	2.0
103.05446	4.1
105.03374	3.2
105.07034	1.8
107.04971	3.0
109.02894	2.4
109.06518	2.8
115.03919	7.8
117.03378	2.3
119.04947	61.5
119.05800	3.4
119.08613	2.7
121.10061	1.8
123.04442	10.4
127.03906	3.8
129.03358	5.5
130.41653	1.5
131.03415	1.7
131.04922	3.5
133.04941	3.2
133.06499	1.8
135.04407	4.7
136.07607	2.7
137.05992	3.6
139.03827	2.3
145.02841	4.4
145.04938	7.0
145.06157	1.9
147.04417	100.0
149.05992	4.0
149.09547	1.7
151.07509	2.0
161.05969	7.3
163.03922	19.8
163.05954	2.2
164.04225	2.2
165.05505	11.0
175.03917	62.2
177.05473	5.4
179.07094	8.4
189.05476	97.0
189.12749	2.2
191.07143	2.5
193.04973	21.5
195.13818	1.7
207.06535	67.4
207.13779	4.8
225.07582	66.0
225.09865	2.4
225.14845	4.9
252.97627	1.8
295.10367	1.7
309.74405	1.9
339.10760	33.7
417.41431	1.7
554.16748	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2984
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
51.20235	0.3
51.33603	0.3
58.56564	0.3
61.06985	0.3
67.05508	0.5
70.15582	1.1
79.05492	0.5
81.03400	0.3
81.07040	0.5
93.36059	0.3
149.84106	0.3
185.04292	0.4
214.30960	0.3
391.24518	2.0
553.29846	100.0
554.30499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.298
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
58.13999	0.4
60.44164	0.4
60.53625	0.4
67.05486	0.5
81.07049	0.6
81.65509	0.4
82.77824	0.4
98.21503	1.3
108.20941	0.5
113.04099	0.4
119.08482	0.5
123.24834	0.4
184.03479	0.7
184.05608	0.5
185.04214	2.1
201.03743	1.0
259.07916	0.7
275.07336	0.7
317.19876	0.4
321.90079	0.4
331.10071	2.5
345.11694	0.8
359.13480	0.5
375.89337	0.4
391.24530	1.1
415.19501	1.0
483.21976	1.9
535.28510	0.6
553.29785	100.0
554.30664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18397	0.6
50.82325	0.5
54.13959	0.5
56.96552	0.8
67.05499	1.4
69.07047	0.6
74.91876	0.6
81.03437	0.5
81.07050	0.7
83.57266	0.5
91.05489	1.0
93.07033	0.6
95.02009	0.6
101.00838	0.6
105.07109	0.6
109.10139	0.6
126.79597	0.5
130.01517	0.6
131.01881	0.7
145.03477	0.6
185.02942	0.8
197.02942	0.6
203.03847	0.7
221.05034	0.9
245.05078	6.1
245.24016	0.6
263.06036	1.2
267.08936	1.2
285.10147	1.7
305.07336	0.8
317.19794	0.6
319.05161	3.3
349.16812	0.8
379.07224	1.7
391.24762	1.1
398.19296	0.7
447.22446	0.6
463.26755	2.1
489.30853	2.4
507.26306	0.9
512.31757	1.0
530.33289	1.1
553.29803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4024
Annotation	LysoPC(20:0)
Peak:m/z	Relative Intensity
51.72998	0.5
53.45671	0.6
55.76604	0.6
56.05021	1.4
57.03431	1.2
57.07064	2.4
58.06592	1.5
58.71321	0.6
60.08165	16.3
67.05498	0.9
67.28753	0.6
69.07063	1.1
70.67439	1.0
70.67744	0.8
71.07378	6.1
71.08609	2.5
81.03413	1.7
81.07040	1.7
83.08617	0.9
86.09702	45.4
91.05486	0.7
95.04993	0.7
95.08602	1.3
97.10129	0.9
98.98471	4.0
102.67204	0.6
104.10740	91.3
122.70654	0.6
125.00004	27.6
169.53262	0.6
176.58076	0.6
184.07336	100.0
193.12177	0.8
201.14256	0.7
219.50891	0.6
267.15924	1.5
268.16278	1.5
329.76343	0.6
341.30209	0.8
342.30988	1.8
369.33569	1.0
534.39001	9.2
552.40234	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	553.2446
Annotation	7-Isovaleroylcycloepiatalantin
Peak:m/z	Relative Intensity
53.03920	0.4
55.05487	0.5
67.05510	0.7
69.03411	0.5
70.06574	0.5
71.26845	0.5
71.27184	0.3
79.05504	0.7
80.05031	0.7
81.03400	0.4
81.07050	0.9
83.04977	0.7
85.02902	0.9
85.87519	0.3
91.05505	1.7
93.07051	1.0
94.06580	0.7
95.04986	0.4
95.08611	0.8
97.02871	0.8
97.06517	0.8
103.05421	0.5
105.07047	0.8
106.06570	1.1
107.06070	0.5
107.08595	0.7
108.08131	1.0
109.06521	0.4
109.10182	0.6
115.05460	0.6
117.03413	0.4
117.05761	0.3
117.07017	0.8
118.06552	5.6
119.08577	0.8
120.08074	0.8
121.07637	0.4
121.10093	0.4
127.03907	0.6
127.11252	0.3
129.06950	0.7
130.06529	14.9
131.07312	0.5
132.08081	2.9
133.10133	0.5
134.05978	0.8
134.09673	0.5
135.04379	0.7
135.08069	0.3
136.07547	0.5
137.05975	1.1
142.06520	0.5
143.07312	1.0
144.08089	9.4
145.02911	0.5
146.06015	10.6
146.07112	0.6
146.09644	0.5
147.04373	0.4
149.13239	0.4
150.09151	2.2
151.02843	0.4
154.06557	0.7
156.08092	1.8
157.07611	0.6
158.08481	0.4
158.09686	1.3
159.04532	0.3
159.09190	1.2
159.11736	0.3
160.07658	0.4
162.09102	0.4
163.03894	0.9
165.09351	0.3
167.07138	0.7
167.08426	0.4
168.08133	1.9
169.07623	5.2
170.05994	0.7
170.09641	0.5
171.02113	0.3
171.09222	1.1
176.07108	0.7
176.10632	0.3
177.04094	0.3
177.05489	1.3
180.08073	1.7
181.04955	0.4
181.07507	0.3
181.08943	0.4
182.08282	0.4
182.09702	1.1
183.09210	0.6
188.07077	5.3
189.05536	1.1
194.08167	0.8
194.09763	0.9
195.09201	0.9
196.11295	0.3
200.07152	0.5
202.08748	0.3
203.08258	0.7
206.09868	0.6
207.09097	0.6
207.56662	0.3
208.11310	0.9
209.10811	0.8
215.08226	3.7
217.08850	0.7
218.09741	1.0
220.11220	0.9
221.10757	0.6
222.10281	3.1
223.10947	0.6
229.18063	0.7
230.71962	0.3
231.10564	0.5
232.11206	1.0
233.10791	1.3
234.12993	0.6
235.12347	0.6
243.10522	0.6
244.11398	0.6
245.10837	0.6
247.12329	0.8
258.12741	1.1
259.09793	0.6
259.12390	1.2
260.14334	0.4
261.13986	0.4
262.13330	0.4
265.13388	0.3
271.12405	0.5
273.13919	0.7
275.15433	0.4
276.13934	0.4
277.13486	1.0
285.13773	0.5
287.15515	1.6
294.15875	0.7
303.15036	0.6
305.16492	0.4
331.14578	0.6
335.22910	0.3
349.15866	0.5
366.18140	5.3
376.06177	0.3
410.17215	0.4
422.17108	1.1
424.18820	0.5
449.16342	0.3
481.22156	1.0
507.24060	0.9
535.23438	0.7
553.24493	100.0
554.24683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.01872	0.8
55.05513	13.4
57.03441	5.2
57.07077	27.4
59.05000	0.6
63.11379	0.6
65.03941	1.2
67.05509	22.1
69.03434	1.7
69.07069	9.3
70.07408	0.8
71.04996	2.6
71.08633	20.9
79.05497	12.2
80.54781	0.6
81.03423	31.7
81.07060	25.6
81.07452	0.4
83.04984	6.8
83.08620	16.8
85.02907	13.8
85.06546	0.7
85.10186	11.7
88.48684	0.6
88.71809	0.7
91.05485	15.7
91.06031	1.2
93.07051	9.5
95.04974	13.5
95.07995	1.1
95.08608	20.1
97.02921	1.6
97.06533	1.9
97.10166	9.2
99.08100	0.8
103.05484	0.9
105.07034	9.3
107.04979	2.5
107.08580	3.7
109.06530	2.6
109.10163	8.4
111.04455	1.5
111.08092	4.0
111.11732	2.1
113.06027	1.5
115.03522	0.6
117.07042	0.7
119.08577	8.9
121.06524	0.6
121.10158	4.1
123.08077	1.5
123.11726	4.3
125.09573	0.8
128.06363	0.5
129.07002	5.7
131.08577	4.8
133.06512	1.9
133.10118	5.4
137.09612	1.2
137.13266	1.0
140.92955	0.6
142.07817	1.2
145.10197	0.9
147.08086	1.1
147.11700	6.7
149.09630	3.2
151.14934	0.9
155.08456	0.6
157.10139	5.9
165.12823	1.7
175.11227	5.7
193.10451	1.0
193.12254	25.2
211.13287	32.9
229.33762	0.7
249.15028	0.9
267.15912	6.9
267.26913	2.5
280.72882	0.7
285.16464	0.9
341.30667	5.1
533.41779	2.8
551.43121	100.0
552.43713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.7
54.09681	2.0
55.05513	16.4
56.29942	2.3
57.03431	2.0
57.07076	10.9
65.03937	4.4
67.05508	26.2
69.07072	22.6
71.08634	2.8
74.56799	2.0
79.05495	22.2
80.34798	1.9
81.03413	4.9
81.07062	39.9
83.08652	11.8
85.06544	4.1
91.05488	36.7
93.07052	51.0
95.04952	5.1
95.08613	45.3
95.69080	2.2
97.10160	2.5
98.48854	2.4
103.05450	5.6
105.07032	64.5
107.08596	53.3
109.10157	40.0
110.10567	3.2
115.05489	2.2
117.07021	11.9
118.80482	2.1
119.08585	100.0
121.09332	3.9
121.10147	45.6
123.11676	12.6
128.06229	3.7
129.07001	8.0
130.07762	4.8
131.08568	33.9
133.10139	52.8
135.11700	39.6
137.09654	3.8
142.07796	9.4
143.08556	23.2
144.09341	5.1
145.10135	70.8
147.11697	21.3
149.09637	4.7
149.13287	5.1
153.07103	2.9
155.08531	10.8
156.09320	8.4
157.10127	30.3
158.10878	6.2
159.11696	34.3
161.09634	2.5
161.13286	14.3
163.14807	2.5
167.08580	4.3
168.09326	4.9
169.10074	15.4
170.10852	3.5
171.11676	22.9
172.12456	2.9
173.13246	22.7
175.14847	39.5
179.08569	5.3
180.09380	4.2
181.10092	7.8
182.10973	4.0
183.11673	17.4
185.13242	14.0
187.14880	16.1
189.16454	4.0
191.14078	2.4
192.09328	2.6
193.10187	6.1
193.12160	2.6
194.10870	4.5
195.11649	12.4
196.12451	4.3
197.13239	19.1
199.14844	10.1
201.16408	14.6
203.17999	2.7
207.11743	6.1
208.12395	2.7
209.13229	13.1
211.14853	10.1
213.16469	5.8
216.20387	2.5
219.17435	4.6
220.12415	3.2
221.13297	6.5
223.14821	11.0
224.15736	2.1
225.16374	5.7
233.13133	2.8
235.14844	4.8
237.16388	4.1
239.17992	5.8
245.13362	2.7
247.14717	3.9
251.17822	3.7
253.19542	5.5
259.14993	3.0
259.20599	3.1
263.17889	3.4
265.19492	6.3
267.16022	3.8
267.21152	5.3
271.20700	3.6
275.17978	3.3
277.19455	4.5
279.21027	3.2
285.22067	6.2
333.25537	2.4
345.25641	3.0
533.41272	8.9
550.63690	2.8
551.34644	3.1
551.42584	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	551.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48352	0.6
62.78937	0.7
67.05499	1.1
68.56865	0.6
71.55049	1.2
81.03401	0.9
81.07049	1.0
89.73524	0.6
103.60857	0.7
105.06985	0.6
128.63789	0.7
147.33653	0.7
175.50851	0.6
184.07381	0.7
186.46986	0.6
193.12398	0.6
229.13722	0.7
267.09079	0.8
267.12054	0.9
303.04712	1.2
319.50934	0.6
323.14618	1.3
455.87112	0.7
504.61288	0.7
519.10571	0.8
533.27002	2.2
551.26483	100.0
552.26215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05505	3.4
56.96566	0.8
57.03422	1.3
59.04996	0.8
61.02914	1.6
62.47570	0.6
63.89442	0.6
65.03918	0.9
67.05496	2.0
69.03426	8.9
69.07053	3.2
69.29134	3.7
69.29556	2.1
69.72280	0.7
70.06581	1.5
71.04975	1.7
72.08138	1.0
73.02886	0.7
74.31722	0.7
79.05475	3.2
80.64928	0.6
81.03428	1.2
81.07049	3.5
83.04982	4.7
83.08615	2.3
84.08125	0.8
85.02909	8.1
85.06535	1.3
87.04465	0.9
89.03904	1.2
89.06033	0.8
90.32865	0.7
91.05461	3.5
93.07056	5.2
95.04976	1.4
95.08604	4.8
97.02866	2.9
97.06510	2.0
97.10160	2.7
98.97539	1.7
99.04472	0.9
99.08098	5.2
100.61848	0.7
101.05999	0.9
102.00218	0.7
103.05453	1.6
105.07024	2.8
107.04937	1.2
107.08593	11.0
109.02871	1.0
109.06512	2.8
109.10143	5.8
111.04436	1.0
111.08096	4.0
119.04936	1.3
119.08566	1.8
121.06500	2.9
121.10135	9.1
123.08096	0.9
123.11710	1.3
125.05984	1.5
125.09634	33.7
127.03911	2.4
131.04913	0.9
131.08594	1.1
133.06483	0.9
133.10130	5.0
135.04410	1.7
135.08064	4.9
135.11656	1.5
137.06075	0.9
137.09615	3.3
139.07535	2.0
139.11183	0.9
145.02747	1.5
145.04950	1.8
145.10056	1.0
147.04408	2.4
147.11646	2.5
149.05972	1.4
149.09613	40.6
149.13271	5.2
151.11176	11.8
153.09096	10.2
154.09891	1.3
161.05986	0.9
163.03923	7.9
163.14796	5.7
164.04329	0.9
165.12695	2.0
173.13231	3.5
177.05449	5.5
178.04999	0.9
178.85982	0.8
191.14302	21.5
195.06505	1.0
198.02600	0.9
206.04546	1.0
209.15366	100.0
210.15742	1.3
216.35722	0.7
219.01778	1.0
227.16417	23.9
244.57944	0.8
371.15701	0.8
408.29758	0.7
551.21814	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
55.05515	12.5
56.96563	2.7
57.03430	8.8
57.07077	3.8
60.08159	2.5
61.02924	3.3
67.05180	2.8
67.05508	31.4
69.03416	12.0
69.07069	14.0
71.55560	2.5
73.02926	19.3
79.05490	8.6
81.03409	3.9
81.07063	42.9
83.08620	5.0
85.02908	25.9
87.04477	3.4
91.05481	18.0
93.07046	59.9
95.04970	3.4
95.08611	56.4
96.75433	1.8
97.02899	17.9
97.06516	4.2
97.10194	3.8
105.07040	50.4
106.91399	1.9
107.08604	47.0
109.06550	3.4
109.10162	100.0
111.08075	7.2
115.03922	11.9
115.05306	2.2
119.08585	39.1
121.10154	26.9
123.11703	8.1
127.03901	6.6
133.05000	4.8
133.10136	19.0
133.81070	2.2
135.11703	39.3
136.07571	2.1
145.02785	3.0
145.04915	4.8
145.10106	4.7
147.10512	3.3
147.11693	56.1
149.13297	4.7
155.81857	2.3
161.13268	16.3
163.03877	4.5
163.05867	2.0
165.12778	4.7
175.14824	8.1
177.16377	3.7
203.17969	83.8
221.19002	12.0
250.75711	1.9
259.07953	2.9
276.85556	1.9
295.10226	2.7
301.16437	2.5
346.09631	3.5
369.14069	1.9
550.36499	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	550.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
55.01858	5.3
55.05511	11.5
56.96554	3.3
57.03431	3.9
57.07056	2.5
58.06607	1.6
58.60160	1.5
59.04979	1.7
60.07888	1.8
60.08167	21.5
61.02917	1.8
67.05503	26.3
67.54226	1.5
69.03418	6.8
69.07073	20.6
70.06600	1.8
71.04984	2.1
72.08163	2.1
73.02910	8.2
75.33688	1.9
79.05497	13.8
79.10737	1.4
81.03413	3.5
81.06609	3.3
81.07063	51.9
83.04963	2.0
83.08625	9.7
84.08145	3.9
85.02908	18.4
85.06551	8.3
86.09684	4.4
91.05482	29.5
93.07049	100.0
95.04985	7.4
95.08611	45.3
97.02885	11.1
97.06551	8.6
97.10146	3.3
98.20747	4.4
99.08078	1.6
100.07537	1.6
100.11252	6.4
101.11594	2.3
105.04529	1.7
105.07033	43.4
107.04957	1.8
107.08598	43.4
109.02856	3.6
109.06562	2.0
109.10162	68.5
111.08086	28.3
111.11759	1.8
114.09164	2.3
115.03906	5.8
119.04944	1.6
119.08583	40.5
121.09341	2.3
121.10141	31.7
123.11714	13.4
125.09651	3.0
127.03886	5.2
131.04907	4.8
131.08575	2.1
133.04997	9.0
133.10136	23.2
135.11688	56.5
137.09625	1.8
139.03836	2.4
139.11191	2.4
145.04942	10.2
145.10132	4.3
147.04396	2.1
147.11687	46.4
149.13248	3.4
151.11159	1.5
159.11661	2.0
161.09613	5.1
161.13280	15.9
163.03915	5.6
163.06032	4.6
163.14766	4.4
165.12746	3.4
173.09587	4.1
175.14799	6.3
177.05414	3.5
184.07285	3.2
203.17957	61.1
205.37485	1.6
221.15601	1.7
221.19012	10.3
236.12738	2.1
241.07156	3.1
259.08014	5.0
290.07843	2.2
295.10266	5.3
303.05194	2.5
309.20038	1.7
432.09601	1.8
508.11990	5.4
518.17450	1.6
550.22235	2.7
550.34833	46.6
569.53387	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
54.58774	1.7
55.01870	4.4
55.05515	13.9
55.93556	2.2
57.03434	6.3
61.02921	4.7
67.05503	30.3
69.03423	14.9
69.07075	21.7
71.53646	2.0
73.02918	20.6
79.05502	18.8
81.03429	2.7
81.07056	57.0
83.04966	3.5
83.08623	7.3
85.02902	29.0
91.05485	23.0
93.07045	67.7
95.04989	2.1
95.08615	60.1
97.02901	25.8
97.06518	3.9
97.10159	3.5
99.08160	1.9
105.07035	56.8
107.08601	60.0
109.10158	99.2
111.08094	13.6
115.03944	10.3
117.07023	3.1
119.08578	47.1
119.78607	1.9
119.79446	2.2
121.10140	31.9
123.11717	15.6
125.09644	5.3
127.03941	10.1
131.00893	1.8
131.08580	2.2
133.04979	11.7
133.10133	29.2
135.11699	49.9
137.09544	2.2
145.04936	11.8
145.10092	6.1
147.11693	63.2
149.13301	4.5
150.38504	2.0
161.13286	21.3
163.06082	4.7
163.14902	3.1
165.12775	5.9
175.14842	9.5
203.17967	100.0
210.88255	2.0
215.17868	2.0
218.15565	2.1
221.18991	12.1
233.65617	1.9
241.07137	3.4
245.19189	2.1
255.53535	2.7
259.08209	3.8
295.10248	2.9
301.16489	2.7
308.83807	2.1
376.79410	2.1
462.69934	2.2
555.16943	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56026	0.3
57.03420	0.4
59.05006	0.3
60.04527	0.6
62.64383	0.3
67.05502	0.6
69.03429	3.0
69.07050	0.4
69.73025	1.4
69.73441	0.5
70.06595	0.3
70.63199	0.3
71.04997	2.4
71.46899	0.3
73.02926	0.3
73.06520	0.3
75.37098	0.3
79.05460	0.5
81.03403	1.0
81.07044	0.4
83.04974	0.6
85.02909	2.7
87.04462	2.4
89.06033	7.5
91.05499	1.0
92.05874	0.3
93.07059	0.7
95.04979	0.3
95.08611	1.1
96.08101	0.3
97.02892	100.0
98.03185	0.2
98.97548	0.4
99.04449	2.4
105.07038	0.5
107.08581	0.6
109.06516	0.4
109.10155	2.9
112.99089	0.3
115.03929	6.1
115.46455	0.2
116.07062	0.3
119.04990	0.3
119.08560	1.2
121.10152	0.5
123.08097	0.3
124.00922	0.3
127.03933	1.0
133.04980	1.8
133.10149	0.5
135.11705	3.1
136.07570	0.4
137.06018	0.3
145.02878	0.5
145.04968	0.4
147.04449	0.9
148.04770	0.4
151.14862	0.4
160.28804	0.3
163.03931	1.0
164.04277	0.4
175.14842	1.2
177.05466	0.8
185.08110	6.5
185.09641	0.5
187.06029	2.2
187.07426	0.3
189.05548	0.3
193.15895	2.4
203.09047	0.4
206.04396	0.3
207.06651	0.4
211.16927	6.7
211.18771	0.5
213.07623	0.5
221.59160	0.3
231.08638	14.7
249.09732	4.1
266.12402	0.5
349.11292	5.0
349.15237	0.4
353.15857	0.5
373.22580	0.4
393.13855	5.5
518.23102	0.4
550.25439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01880	1.6
55.05512	20.6
57.03194	0.8
57.03435	5.0
57.07076	5.8
57.20715	0.7
62.49632	0.9
65.03927	1.4
67.05508	27.7
69.03435	1.6
69.07069	25.5
71.04997	3.1
71.08643	3.0
77.90898	0.7
79.05494	14.7
81.02943	0.7
81.03423	25.2
81.07059	30.9
83.04992	5.6
83.08154	1.5
83.08623	22.2
85.02908	13.5
85.06538	2.0
85.10188	2.1
85.22404	0.7
88.62534	0.8
91.05482	14.3
93.07047	16.3
95.04967	12.0
95.08609	24.0
97.02904	1.1
97.06529	3.1
97.10168	8.9
98.21566	1.5
99.08117	1.2
105.07027	11.3
107.04963	1.9
107.08605	6.8
109.06520	2.3
109.10155	9.5
111.04456	2.0
111.08096	4.3
111.11746	1.5
113.05987	1.6
113.09688	1.0
117.06991	1.0
119.08585	9.7
121.06481	0.9
121.10156	9.6
123.08001	0.8
123.11720	3.1
125.09621	1.3
129.07007	4.3
131.08565	5.0
133.06544	1.7
133.10133	4.6
135.11678	4.6
137.09625	1.9
142.07816	1.3
147.08055	1.9
147.11707	6.6
149.09645	2.4
149.13216	1.8
157.10120	5.8
159.11784	0.9
164.39203	0.7
165.12801	0.9
175.11182	5.7
179.84088	0.7
193.12247	23.3
211.13290	29.9
227.12827	1.4
229.14548	0.9
229.65068	0.9
239.81079	0.7
247.24274	2.2
265.25168	4.6
267.15884	6.5
339.28809	4.2
457.36667	1.3
531.40393	5.6
549.41492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
54.67645	0.6
55.01863	2.4
55.05514	27.1
57.03443	7.6
57.07082	6.6
59.04976	0.7
65.03928	1.7
67.05508	39.6
69.03423	3.1
69.07072	30.2
71.04994	4.0
71.08625	3.2
71.55978	1.1
78.02243	0.6
79.05499	19.1
81.03421	36.2
81.07061	41.3
83.04978	7.3
83.08624	28.6
85.02912	15.4
85.06541	2.8
85.10194	1.2
91.05486	19.5
92.40664	0.6
93.07053	18.1
95.04970	14.1
95.08609	30.9
97.02908	1.1
97.06518	3.1
97.10175	12.0
99.08089	1.5
105.07036	17.0
107.04965	2.5
107.08601	13.2
109.06533	2.2
109.10159	18.0
111.04407	1.2
111.08096	5.4
111.11721	2.5
113.06041	2.6
113.09639	1.5
115.05428	0.8
117.07034	1.1
119.08591	11.3
119.09383	1.1
121.06537	0.7
121.10150	12.7
121.10956	0.5
123.08045	1.0
123.11726	5.7
125.09635	1.8
129.07005	5.2
131.08577	5.9
133.06485	1.5
133.10129	12.3
135.11705	7.5
137.09671	0.9
137.13271	1.6
142.07773	1.2
145.10144	2.0
147.08054	1.7
147.11699	8.9
149.09628	2.7
149.13284	2.5
151.11197	4.1
151.14845	0.9
157.10133	5.7
159.11696	1.1
163.14812	1.5
165.12750	1.8
169.12155	0.8
175.11217	7.4
177.16441	1.3
193.10448	0.8
193.10934	0.5
193.12253	28.8
211.13290	31.9
247.24231	0.9
249.14952	0.9
253.14378	12.4
261.22168	3.2
265.25311	4.9
267.15948	7.4
271.15369	4.1
293.17453	1.1
303.23059	0.7
317.24490	0.8
321.28400	0.8
335.25815	3.2
339.28882	5.7
398.28964	0.8
457.36697	1.5
531.41370	4.9
549.41577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.01864	2.8
55.05507	2.5
57.03439	8.5
57.07073	2.1
59.05001	2.6
61.02897	12.6
67.05522	4.8
69.03435	29.5
69.03820	1.6
69.07059	1.3
70.06591	1.5
71.04984	4.7
71.34739	1.4
72.08175	1.5
73.02914	4.3
79.05497	3.2
81.03418	12.3
81.07059	6.2
83.01337	1.7
83.04981	3.2
83.08622	3.3
85.02909	100.0
85.06544	2.3
86.09713	1.5
87.04456	5.7
91.03979	4.8
91.05481	6.8
93.07058	5.4
95.04967	3.2
95.08607	10.5
97.02896	36.9
97.03526	1.8
97.06519	7.1
98.97586	2.5
99.04459	5.8
100.11271	1.9
103.03935	1.8
105.07039	9.9
107.04968	1.7
107.08604	8.8
109.02882	11.8
109.06514	9.7
109.10183	3.3
111.04450	2.2
111.08121	2.2
115.03934	1.5
119.04965	3.5
119.08564	5.8
121.06518	3.1
121.10168	5.5
122.07283	1.6
123.04477	1.1
123.08073	44.2
123.08968	2.3
125.05999	4.7
127.03912	24.1
131.08578	4.5
133.06512	3.7
133.10118	7.9
135.04436	1.1
135.08076	2.4
135.11685	2.5
137.05986	2.4
137.09627	5.0
145.03004	1.4
145.04959	37.9
145.10121	2.5
147.04442	5.2
147.08080	2.1
147.11717	4.4
149.06026	1.6
149.09683	4.3
150.92670	1.0
151.07547	60.0
151.11270	1.4
153.09126	4.7
159.08064	1.4
161.05983	1.4
161.09608	1.3
161.13268	2.7
163.03889	6.7
163.06027	4.8
163.11171	17.0
163.14899	1.7
165.12782	2.6
171.06592	2.9
171.11678	1.5
173.13354	1.9
174.10362	1.1
175.03976	1.2
177.05516	1.1
177.12781	2.2
181.12227	13.6
184.00052	0.9
189.05629	1.7
189.07628	4.2
189.12756	19.2
191.00880	0.9
191.14326	7.8
192.11554	2.6
205.12292	1.0
207.06590	1.5
207.13814	81.2
209.15385	9.2
214.29146	1.2
219.01944	1.1
223.13300	3.1
225.11371	1.4
225.14870	24.0
225.16917	1.7
237.02948	1.2
241.07115	1.2
251.86714	1.1
281.20892	0.9
351.18097	1.4
363.31070	1.0
369.19098	6.3
387.20157	20.0
412.94678	1.0
440.69019	1.0
453.13873	1.1
469.33206	1.3
531.24463	2.4
549.18335	3.8
549.25598	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	548.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01860	6.1
55.05513	12.7
57.03440	13.7
65.03929	3.0
67.05504	24.1
69.03416	5.3
69.07067	12.6
71.04994	2.8
71.55164	2.2
73.02897	1.7
74.56338	1.6
79.05495	21.6
80.05836	3.4
81.03424	68.6
81.07065	19.6
81.89364	1.4
83.04990	11.3
83.08621	20.8
85.02900	14.3
91.05486	23.7
93.07062	12.5
95.04970	32.7
95.08606	7.2
97.02881	5.3
97.06536	60.7
97.10159	3.8
98.06882	12.7
98.97587	1.6
99.08069	1.7
105.06520	1.5
105.07043	18.0
107.04942	6.1
107.08603	8.3
109.06538	4.0
109.10191	3.5
111.04449	2.9
111.08093	9.2
115.05380	1.8
116.67873	1.6
117.07009	3.2
119.08585	15.5
121.06480	4.8
121.10131	8.3
123.08059	2.6
125.09663	2.8
129.07027	10.0
131.08586	11.4
133.06483	4.6
133.10118	7.3
141.06972	2.0
145.06497	4.4
145.10114	3.2
147.08035	2.6
147.11662	6.6
149.09604	6.7
157.06415	2.2
157.10136	12.4
159.11607	1.6
161.05833	3.5
163.03931	3.1
175.07393	1.9
175.11168	12.1
184.07248	1.8
188.07922	2.3
189.09244	2.7
189.11281	1.8
190.09586	2.0
193.12254	30.5
195.07986	3.3
196.08321	2.3
199.07518	3.1
211.13274	21.2
212.07875	1.5
213.09018	3.8
214.09264	2.0
216.07355	2.7
231.10110	2.8
241.08592	3.0
242.09047	1.9
242.12604	2.9
249.14839	2.1
252.91644	1.5
257.11792	2.0
259.09625	4.9
260.09952	5.3
267.15939	100.0
267.74252	1.8
285.16989	22.4
286.15247	2.3
309.14932	1.9
310.15225	4.5
311.12772	5.8
312.13174	13.0
313.14078	2.1
314.14883	3.2
328.16217	4.2
337.14224	1.9
338.14630	3.0
349.21552	2.7
355.15323	13.1
356.15744	40.6
367.22800	10.4
374.16733	6.6
385.23688	11.6
403.24808	5.3
433.25919	8.3
441.26233	6.1
459.27432	54.1
477.28516	42.5
483.55026	1.6
495.29614	2.3
530.27985	3.2
548.22144	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	548.343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15808	1.4
53.03933	2.6
53.88211	1.6
55.01856	4.7
55.05512	16.6
57.03432	12.5
57.07064	2.7
61.02907	5.6
67.05505	45.7
69.03419	2.9
69.07067	13.2
71.04975	3.7
71.56571	2.1
73.02900	2.0
73.79321	1.4
79.05489	39.8
81.03392	2.8
81.06596	2.8
81.07053	47.3
83.04958	4.1
83.08612	12.1
85.02899	7.8
85.06524	3.5
88.46159	1.5
90.66696	1.3
91.03933	2.0
91.05477	30.4
93.07038	50.9
95.04959	4.7
95.08608	34.9
97.02864	3.2
97.06514	6.7
97.10157	6.1
99.04494	1.4
99.08070	4.8
101.29205	1.5
105.07026	32.6
107.04942	1.5
107.08583	34.3
109.06524	3.9
109.10146	22.7
111.08064	4.1
113.09689	1.5
114.56806	1.5
117.07007	8.9
119.08570	30.2
121.10147	26.2
123.08065	3.6
123.11676	5.0
125.09597	3.6
127.03939	1.7
129.06999	5.7
131.07043	2.2
131.08548	17.0
133.10118	24.2
135.08043	2.6
135.11703	22.6
137.09596	2.9
139.11147	1.8
143.08531	4.8
145.10127	13.1
147.11678	24.0
149.09569	2.4
149.13257	13.4
151.11195	1.8
157.10107	4.7
159.11682	14.4
161.13269	14.1
163.11198	3.3
163.14760	2.3
167.29958	1.4
171.11668	6.7
173.11858	2.8
173.13264	8.4
175.14824	4.8
177.12709	2.6
179.14333	3.3
185.13197	7.2
187.14815	6.7
189.05450	1.5
189.11119	2.2
190.79453	1.4
199.14761	2.1
201.16440	4.2
205.15857	3.5
219.17415	4.7
221.15475	1.5
227.12779	3.4
229.14323	11.1
231.17445	1.7
231.20946	3.1
241.19519	13.4
245.82680	1.6
259.20602	33.0
269.17432	4.7
277.21609	34.9
295.22546	1.6
333.24097	2.7
351.25272	100.0
352.25977	1.6
369.26236	4.2
413.68979	1.6
495.29529	2.1
506.28564	1.9
513.30457	5.0
514.03119	1.7
548.28955	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	547.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01876	3.8
55.05514	25.1
55.79711	0.7
57.03437	2.7
57.07075	5.4
65.03939	1.2
67.05507	31.4
69.03436	1.0
69.07070	16.5
71.01363	0.8
71.04993	3.0
71.08625	2.4
71.56287	1.0
79.05495	21.8
80.05827	0.8
81.03423	8.5
81.07057	31.8
83.01350	1.8
83.04997	4.5
83.08621	15.5
85.02899	1.4
85.06549	1.7
85.10188	1.4
91.05482	13.7
91.06017	0.9
93.07047	26.7
95.04973	6.8
95.08610	28.6
96.08968	0.8
97.02896	1.0
97.06554	3.2
97.10177	11.2
99.08087	1.6
105.04507	0.8
105.07040	13.1
106.07374	0.8
107.04963	4.3
107.08600	15.4
109.06564	3.0
109.10172	11.9
111.04454	1.2
111.08127	1.7
111.11733	1.9
113.52814	0.8
115.05518	0.8
117.07015	6.9
117.72193	0.7
119.08580	11.0
121.06517	2.6
121.10146	13.2
123.08109	3.1
123.11721	4.0
125.09628	5.8
128.06273	1.3
129.07030	1.8
131.08566	6.4
133.10155	6.7
135.08080	1.5
135.11691	13.8
137.09737	0.9
138.33986	0.8
142.07791	1.4
143.08621	3.5
145.10109	11.9
147.08089	1.3
147.11699	3.6
149.09618	1.0
149.13303	2.6
151.14836	1.0
153.12782	0.9
155.08569	1.3
157.10172	2.8
159.11731	3.6
161.13297	2.2
163.11185	11.9
163.14893	1.8
169.10187	2.5
171.11694	2.3
173.09627	2.4
173.13304	3.4
177.12833	1.1
177.16441	1.1
181.10173	1.1
181.12265	2.3
183.11685	1.8
185.13312	2.0
187.14851	1.4
189.11200	3.8
191.10698	1.1
193.10329	0.9
193.12263	1.9
195.11790	1.3
196.12529	0.8
197.13326	2.1
199.14882	1.7
201.16608	1.3
207.11729	1.2
209.11815	2.5
209.13501	1.1
211.14932	1.1
213.16423	1.1
223.14867	1.4
227.12805	16.8
237.16429	1.1
247.15047	1.0
247.24451	1.5
251.17953	0.8
265.14499	1.1
265.25223	4.0
267.16013	3.1
273.45264	0.8
303.26959	3.6
337.27423	2.0
343.11002	0.9
397.25189	0.9
437.34308	2.1
455.35284	5.0
473.36520	4.2
473.43036	1.0
503.37311	1.2
529.38904	17.7
547.39984	100.0
548.39886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15953	0.2
54.99251	0.3
55.05518	0.3
56.96579	0.4
67.05504	0.5
69.03431	0.6
69.07084	0.7
69.40849	2.4
70.06591	0.3
79.05493	0.4
81.03421	0.5
81.07054	0.8
85.02917	1.4
86.09741	0.4
87.04520	0.3
88.58981	0.4
91.05493	0.6
93.07066	0.5
95.08632	0.8
97.02906	0.4
98.97597	1.2
105.07029	0.4
107.08610	1.1
109.10220	0.4
110.97623	0.3
119.04958	0.3
119.08614	0.7
121.10134	0.7
124.71993	0.3
127.03909	0.3
133.10103	0.7
135.08008	0.3
135.11732	0.5
137.06055	0.3
137.09650	0.5
145.02945	0.4
145.05022	0.3
147.04427	0.8
163.03961	0.7
167.99390	0.3
177.05508	0.7
177.12794	4.4
177.16284	0.3
191.14247	0.4
217.15947	0.6
219.10158	0.5
221.06163	0.3
235.16971	5.2
253.17999	5.7
267.06531	0.4
271.10251	0.8
275.07410	0.7
295.05896	0.4
323.05518	1.9
335.09494	3.7
395.85339	0.3
409.15454	0.3
415.23053	4.1
457.24188	0.4
529.26306	1.0
537.72412	0.3
547.27350	100.0
548.27771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33829	0.5
56.30446	0.4
56.92078	0.5
57.06274	0.5
58.97852	0.4
61.02926	0.9
69.03421	1.7
70.89115	1.0
72.97041	0.5
73.02927	1.0
79.05498	1.0
82.99870	1.8
85.02900	4.7
86.99309	0.5
88.77404	0.5
91.05483	2.4
92.07375	0.6
94.93002	0.6
95.04959	0.8
97.02902	1.5
101.00883	10.0
103.00636	0.6
103.02452	0.7
113.00892	1.0
115.02434	0.5
115.56303	0.5
119.01925	16.3
119.04932	3.2
120.02023	0.6
121.01655	2.2
127.02390	1.5
127.03911	1.7
131.01917	3.1
131.65405	0.5
133.01689	0.8
133.03485	1.5
137.02971	1.5
139.02425	2.3
140.49710	0.5
143.01898	12.8
144.02023	0.7
145.01682	3.0
145.03450	5.0
145.04942	1.0
147.01431	1.1
147.03307	0.7
147.04414	4.1
151.02660	0.6
155.01929	4.9
157.01576	1.2
157.03473	14.5
161.02971	12.1
162.03047	1.1
163.02654	4.6
163.04581	2.6
167.01921	3.0
169.03491	1.9
173.02972	6.5
174.03101	0.6
175.02713	1.6
175.04472	5.5
177.05554	0.6
179.01974	1.6
179.07028	0.5
181.03514	1.2
181.05560	1.5
183.01263	0.5
183.05089	0.9
185.01326	1.0
185.02948	9.7
187.02745	1.3
187.04564	1.4
189.04073	0.8
189.05487	4.8
190.05896	0.6
191.04117	0.6
193.04977	0.7
195.05043	1.2
197.02968	4.3
199.04411	0.5
201.02524	0.9
202.02704	0.9
203.02238	2.1
203.04008	4.5
204.04349	0.7
205.03783	2.6
205.05606	9.2
207.03333	0.6
207.04951	0.7
207.06703	2.9
208.06958	0.6
209.02979	0.7
215.02127	0.6
215.04054	2.6
219.03468	0.9
220.03566	0.7
221.03146	4.3
221.05072	1.2
223.04878	1.4
223.06644	34.5
225.04230	0.8
225.07715	0.9
227.02071	0.5
227.04027	2.7
231.03467	1.2
233.03093	1.6
235.02736	1.4
235.04799	0.8
239.04150	0.7
241.07698	6.9
245.05096	21.7
246.08284	1.3
247.04700	2.5
249.04385	0.8
251.04024	0.7
257.02780	2.9
257.05136	1.6
259.02722	1.1
263.06445	3.1
264.07758	3.8
265.07709	100.0
266.07962	0.7
267.05569	0.8
275.03693	1.2
275.06586	2.8
277.07715	9.9
279.09299	1.1
281.05164	0.7
285.06570	1.4
286.07187	0.5
289.08060	3.3
293.07239	1.2
295.06369	0.5
295.08813	5.4
301.07822	1.2
305.07474	2.8
307.06589	1.0
309.06494	1.9
315.57452	0.7
317.04785	1.0
319.09021	0.7
323.06558	0.6
323.43289	0.6
325.09921	10.5
335.08224	2.0
337.09802	0.8
345.10223	0.9
347.08228	0.6
349.07068	0.8
349.10330	1.0
351.07440	2.8
353.09271	4.6
365.09366	5.6
367.07028	0.6
367.10980	6.8
377.07037	0.7
379.07242	0.7
387.13681	1.2
395.08328	0.8
396.60422	0.6
397.08340	0.5
409.09879	0.9
427.11322	2.5
445.11868	2.7
487.12866	0.7
512.36597	0.6
529.12469	2.3
547.03973	0.8
547.13403	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	547.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33829	0.5
56.30446	0.4
56.92078	0.5
57.06274	0.5
58.97852	0.4
61.02926	0.9
69.03421	1.7
70.89115	1.0
72.97041	0.5
73.02927	1.0
79.05498	1.0
82.99870	1.8
85.02900	4.7
86.99309	0.5
88.77404	0.5
91.05483	2.4
92.07375	0.6
94.93002	0.6
95.04959	0.8
97.02902	1.5
101.00883	10.0
103.00636	0.6
103.02452	0.7
113.00892	1.0
115.02434	0.5
115.56303	0.5
119.01925	16.3
119.04932	3.2
120.02023	0.6
121.01655	2.2
127.02390	1.5
127.03911	1.7
131.01917	3.1
131.65405	0.5
133.01689	0.8
133.03485	1.5
137.02971	1.5
139.02425	2.3
140.49710	0.5
143.01898	12.8
144.02023	0.7
145.01682	3.0
145.03450	5.0
145.04942	1.0
147.01431	1.1
147.03307	0.7
147.04414	4.1
151.02660	0.6
155.01929	4.9
157.01576	1.2
157.03473	14.5
161.02971	12.1
162.03047	1.1
163.02654	4.6
163.04581	2.6
167.01921	3.0
169.03491	1.9
173.02972	6.5
174.03101	0.6
175.02713	1.6
175.04472	5.5
177.05554	0.6
179.01974	1.6
179.07028	0.5
181.03514	1.2
181.05560	1.5
183.01263	0.5
183.05089	0.9
185.01326	1.0
185.02948	9.7
187.02745	1.3
187.04564	1.4
189.04073	0.8
189.05487	4.8
190.05896	0.6
191.04117	0.6
193.04977	0.7
195.05043	1.2
197.02968	4.3
199.04411	0.5
201.02524	0.9
202.02704	0.9
203.02238	2.1
203.04008	4.5
204.04349	0.7
205.03783	2.6
205.05606	9.2
207.03333	0.6
207.04951	0.7
207.06703	2.9
208.06958	0.6
209.02979	0.7
215.02127	0.6
215.04054	2.6
219.03468	0.9
220.03566	0.7
221.03146	4.3
221.05072	1.2
223.04878	1.4
223.06644	34.5
225.04230	0.8
225.07715	0.9
227.02071	0.5
227.04027	2.7
231.03467	1.2
233.03093	1.6
235.02736	1.4
235.04799	0.8
239.04150	0.7
241.07698	6.9
245.05096	21.7
246.08284	1.3
247.04700	2.5
249.04385	0.8
251.04024	0.7
257.02780	2.9
257.05136	1.6
259.02722	1.1
263.06445	3.1
264.07758	3.8
265.07709	100.0
266.07962	0.7
267.05569	0.8
275.03693	1.2
275.06586	2.8
277.07715	9.9
279.09299	1.1
281.05164	0.7
285.06570	1.4
286.07187	0.5
289.08060	3.3
293.07239	1.2
295.06369	0.5
295.08813	5.4
301.07822	1.2
305.07474	2.8
307.06589	1.0
309.06494	1.9
315.57452	0.7
317.04785	1.0
319.09021	0.7
323.06558	0.6
323.43289	0.6
325.09921	10.5
335.08224	2.0
337.09802	0.8
345.10223	0.9
347.08228	0.6
349.07068	0.8
349.10330	1.0
351.07440	2.8
353.09271	4.6
365.09366	5.6
367.07028	0.6
367.10980	6.8
377.07037	0.7
379.07242	0.7
387.13681	1.2
395.08328	0.8
396.60422	0.6
397.08340	0.5
409.09879	0.9
427.11322	2.5
445.11868	2.7
487.12866	0.7
512.36597	0.6
529.12469	2.3
547.03973	0.8
547.13403	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	547.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33829	0.5
56.30446	0.4
56.92078	0.5
57.06274	0.5
58.97852	0.4
61.02926	0.9
69.03421	1.7
70.89115	1.0
72.97041	0.5
73.02927	1.0
79.05498	1.0
82.99870	1.8
85.02900	4.7
86.99309	0.5
88.77404	0.5
91.05483	2.4
92.07375	0.6
94.93002	0.6
95.04959	0.8
97.02902	1.5
101.00883	10.0
103.00636	0.6
103.02452	0.7
113.00892	1.0
115.02434	0.5
115.56303	0.5
119.01925	16.3
119.04932	3.2
120.02023	0.6
121.01655	2.2
127.02390	1.5
127.03911	1.7
131.01917	3.1
131.65405	0.5
133.01689	0.8
133.03485	1.5
137.02971	1.5
139.02425	2.3
140.49710	0.5
143.01898	12.8
144.02023	0.7
145.01682	3.0
145.03450	5.0
145.04942	1.0
147.01431	1.1
147.03307	0.7
147.04414	4.1
151.02660	0.6
155.01929	4.9
157.01576	1.2
157.03473	14.5
161.02971	12.1
162.03047	1.1
163.02654	4.6
163.04581	2.6
167.01921	3.0
169.03491	1.9
173.02972	6.5
174.03101	0.6
175.02713	1.6
175.04472	5.5
177.05554	0.6
179.01974	1.6
179.07028	0.5
181.03514	1.2
181.05560	1.5
183.01263	0.5
183.05089	0.9
185.01326	1.0
185.02948	9.7
187.02745	1.3
187.04564	1.4
189.04073	0.8
189.05487	4.8
190.05896	0.6
191.04117	0.6
193.04977	0.7
195.05043	1.2
197.02968	4.3
199.04411	0.5
201.02524	0.9
202.02704	0.9
203.02238	2.1
203.04008	4.5
204.04349	0.7
205.03783	2.6
205.05606	9.2
207.03333	0.6
207.04951	0.7
207.06703	2.9
208.06958	0.6
209.02979	0.7
215.02127	0.6
215.04054	2.6
219.03468	0.9
220.03566	0.7
221.03146	4.3
221.05072	1.2
223.04878	1.4
223.06644	34.5
225.04230	0.8
225.07715	0.9
227.02071	0.5
227.04027	2.7
231.03467	1.2
233.03093	1.6
235.02736	1.4
235.04799	0.8
239.04150	0.7
241.07698	6.9
245.05096	21.7
246.08284	1.3
247.04700	2.5
249.04385	0.8
251.04024	0.7
257.02780	2.9
257.05136	1.6
259.02722	1.1
263.06445	3.1
264.07758	3.8
265.07709	100.0
266.07962	0.7
267.05569	0.8
275.03693	1.2
275.06586	2.8
277.07715	9.9
279.09299	1.1
281.05164	0.7
285.06570	1.4
286.07187	0.5
289.08060	3.3
293.07239	1.2
295.06369	0.5
295.08813	5.4
301.07822	1.2
305.07474	2.8
307.06589	1.0
309.06494	1.9
315.57452	0.7
317.04785	1.0
319.09021	0.7
323.06558	0.6
323.43289	0.6
325.09921	10.5
335.08224	2.0
337.09802	0.8
345.10223	0.9
347.08228	0.6
349.07068	0.8
349.10330	1.0
351.07440	2.8
353.09271	4.6
365.09366	5.6
367.07028	0.6
367.10980	6.8
377.07037	0.7
379.07242	0.7
387.13681	1.2
395.08328	0.8
396.60422	0.6
397.08340	0.5
409.09879	0.9
427.11322	2.5
445.11868	2.7
487.12866	0.7
512.36597	0.6
529.12469	2.3
547.03973	0.8
547.13403	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	545.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.3
59.44226	0.2
60.69590	0.3
69.03421	0.5
69.35143	2.3
69.64123	0.2
70.06577	0.4
81.03382	0.4
84.96059	0.3
85.02918	0.9
86.09715	0.3
91.05468	0.9
93.07048	0.5
97.02924	0.4
98.97574	0.7
105.07006	0.3
107.08595	0.2
109.02868	0.7
117.03417	0.3
117.49073	0.3
119.04984	0.7
127.03921	0.4
128.18285	0.3
136.39345	0.3
145.01820	0.3
145.02821	1.3
147.04430	1.6
149.09653	0.3
152.05690	0.3
152.94241	0.3
158.99725	0.5
169.09746	0.3
169.21201	0.3
175.03911	0.5
177.05470	2.8
177.06744	0.3
178.05977	0.4
189.05490	0.9
189.09503	0.4
203.05244	0.3
206.04654	0.5
207.04892	0.6
207.06604	0.6
219.01817	0.4
261.17889	0.3
275.07513	0.5
307.96857	0.3
335.09448	3.4
342.60782	0.3
355.11807	0.3
413.21426	4.1
471.05301	0.3
527.25146	0.7
545.25714	100.0
546.25970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1634
Annotation	Premithramycin A1
Peak:m/z	Relative Intensity
51.59894	0.3
53.03942	0.4
55.05494	0.5
56.96561	0.4
57.03436	1.1
60.34418	0.3
61.02935	0.4
63.12309	0.3
67.05490	1.2
69.03436	0.8
69.07069	0.9
71.04980	0.8
71.55517	0.3
73.02922	1.8
76.43565	0.3
79.05486	1.4
81.03409	0.6
81.07047	1.1
81.91335	0.3
83.04963	0.4
85.02927	1.8
91.05490	1.9
93.07049	0.9
95.04965	0.6
95.08630	0.6
97.02912	0.8
97.06532	1.5
98.16109	0.3
105.07024	0.9
107.04948	1.4
107.08574	0.7
109.02907	0.5
109.06539	0.6
109.10152	0.5
119.08559	0.8
121.10101	0.5
131.08542	0.8
135.11754	0.4
145.02823	0.6
145.06494	0.4
147.11702	0.4
149.09631	0.4
157.10164	0.6
159.04456	1.2
160.04852	0.6
163.03958	0.7
173.04352	0.4
175.03922	0.4
177.05534	0.8
185.04294	0.5
185.09679	0.3
189.05492	0.7
190.06232	0.9
191.06921	1.6
192.07164	0.8
229.06776	0.6
251.06866	1.1
257.05887	0.4
259.09595	0.4
273.18503	0.4
289.08667	0.4
313.03549	0.5
317.08423	8.0
320.40491	0.3
325.14444	0.3
349.10629	0.5
353.13962	0.8
365.23132	0.4
399.10730	2.1
413.11819	0.8
449.75912	0.4
513.21136	0.3
545.16290	100.0
545.32611	2.8
546.16254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41159	0.5
55.01870	0.8
56.05021	0.4
56.96563	1.1
57.03431	1.3
61.02925	1.5
62.55864	0.4
69.03429	6.0
70.06596	3.2
71.05001	3.1
71.40955	0.8
72.08158	0.9
73.02926	1.5
79.05514	0.7
81.03409	1.4
81.94209	0.4
85.02890	2.9
86.09721	0.7
88.07633	1.1
91.05482	2.0
93.07014	0.6
95.04936	0.6
97.02886	1.8
98.97586	1.5
99.04462	1.8
103.05501	0.6
109.02913	1.1
116.05004	0.6
117.05698	0.6
118.06564	0.5
119.04945	1.4
120.08109	0.5
127.03938	0.8
130.08640	3.4
131.08963	0.9
133.07559	0.7
135.09222	0.6
137.05997	1.1
143.06023	1.3
145.07619	44.0
146.08365	1.7
147.04414	2.2
147.09189	2.2
149.06053	0.7
149.10742	1.4
155.21153	0.5
158.99640	0.7
159.09180	1.4
161.05960	0.7
161.07144	2.3
163.03915	1.6
163.08684	1.8
171.05533	4.1
173.07123	1.1
175.08716	0.5
175.32666	0.5
176.09209	1.2
177.05402	0.8
183.09206	0.7
184.10020	0.5
185.10794	1.3
187.08792	0.8
188.03786	0.9
188.09488	1.1
189.06621	36.6
191.08345	0.8
199.08720	0.7
200.09451	1.6
201.10219	1.7
202.10951	0.6
207.07716	5.6
213.10278	0.7
214.06122	17.9
217.13432	3.0
225.10071	0.6
230.10625	0.9
232.07175	1.1
237.03024	0.6
243.11372	0.8
261.09756	0.4
261.12329	9.9
277.12009	1.3
279.13358	2.7
287.10269	1.4
302.12476	0.6
303.12952	1.1
305.07779	0.7
305.11310	15.1
305.14560	1.0
323.12378	3.7
333.08301	0.5
348.11938	6.9
366.13062	1.4
441.18524	1.4
485.17642	11.1
528.18280	100.0
529.18542	1.0
545.17133	0.8
545.25897	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	545.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46226	1.1
55.01884	1.2
62.07639	1.1
65.03945	1.5
70.99839	1.3
71.12430	2.5
76.27230	1.0
79.05507	4.5
81.03416	1.5
82.99870	4.8
85.01394	1.4
85.02922	2.7
91.05487	7.6
94.99897	2.1
95.04938	1.4
97.02892	1.3
98.97601	2.6
101.00884	22.5
103.02407	1.5
105.03422	2.8
105.07131	1.2
111.93690	1.2
113.00876	5.8
115.02438	3.1
119.01930	31.8
119.04946	8.4
123.04463	1.1
127.02435	3.1
127.23087	1.0
129.00336	1.5
129.03381	3.7
129.98697	1.0
131.01915	17.0
131.04976	2.3
133.03506	2.1
133.06502	1.7
133.62402	1.0
135.57060	1.1
137.02919	1.4
143.01909	80.7
145.03558	10.8
147.01393	3.9
147.04419	15.1
147.31833	1.2
149.02998	1.8
155.01909	23.9
156.02710	1.8
157.03465	3.9
159.01483	2.7
161.02963	82.7
161.06015	3.2
163.02391	1.7
165.05493	2.5
167.01945	1.9
169.03485	2.6
171.01384	1.5
173.02963	35.1
175.03833	8.0
177.02502	3.4
177.04099	1.2
177.05515	4.5
179.05548	1.5
179.07050	1.7
181.03485	14.9
183.01379	7.9
183.05157	1.5
184.04639	1.8
185.03003	5.5
187.02496	1.9
189.03961	2.7
189.05461	36.4
189.07054	1.9
193.03497	1.9
193.05017	1.2
195.05032	2.0
197.03030	1.6
199.00923	1.1
201.02452	70.0
203.02097	2.5
203.04005	41.2
205.03497	13.2
207.04889	12.0
207.06796	9.4
209.03079	1.7
209.06667	2.3
211.04579	2.5
213.02524	2.3
215.01939	5.7
215.03830	1.9
217.03539	3.5
219.03502	100.0
221.03053	3.6
221.05124	15.3
221.06685	1.4
223.04535	14.6
225.02626	1.8
225.06166	3.7
227.12448	1.2
229.03586	2.7
231.03400	11.4
231.05498	1.3
233.02950	26.1
233.05020	1.7
235.04552	11.1
235.06552	1.7
237.02528	1.9
237.06450	5.2
239.04106	1.9
242.05127	2.2
243.03532	5.2
245.05130	3.6
247.04524	20.0
249.04289	1.9
249.06444	2.5
251.04063	8.7
253.05684	3.8
255.03523	1.9
257.02939	30.5
259.04568	4.3
261.04483	22.4
263.04022	1.2
265.05576	25.1
265.08304	2.0
267.07083	1.8
269.05325	2.0
271.04666	2.5
273.04449	10.4
275.03989	21.1
275.06766	2.2
279.05551	6.3
283.06726	3.8
285.06467	1.5
287.03458	2.0
287.06473	9.5
289.05554	13.6
291.07178	2.0
293.05008	7.3
301.05475	2.0
303.05597	10.5
305.04840	2.4
307.06616	27.0
317.05090	5.7
319.06635	4.4
321.06628	21.6
321.10077	1.5
325.07465	7.1
329.05368	1.4
331.06702	3.1
343.06424	1.5
347.06241	5.0
349.07690	62.8
359.06201	4.5
361.07870	2.6
363.09482	2.1
365.06812	9.3
367.08951	2.8
377.07111	10.3
379.08798	2.8
383.08350	2.0
391.08801	2.9
395.08301	15.0
407.08316	3.4
409.09796	14.4
425.09387	2.2
426.11151	1.1
427.10925	14.5
443.04068	1.1
445.11960	4.3
527.12500	45.9
528.17517	1.2
545.13580	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01876	16.0
55.05277	1.8
55.05515	23.7
57.03437	18.9
57.07070	2.4
59.05002	3.3
65.03937	2.1
65.12121	1.0
67.05508	24.7
68.05838	1.1
69.03423	4.8
69.07069	8.7
69.64841	7.0
71.01347	1.9
71.04986	3.6
73.02913	3.9
79.05495	30.5
81.03417	19.5
81.07056	25.4
82.04198	4.0
83.01353	7.4
83.04987	17.2
83.08624	13.3
85.02893	4.2
85.06556	1.6
91.05474	22.7
93.07041	27.4
93.16965	1.2
95.04977	15.9
95.08607	11.2
97.02865	5.1
97.06530	8.2
97.10178	12.1
98.07303	5.5
99.04472	2.1
101.06012	1.3
101.42505	1.1
105.07037	14.5
107.04973	9.8
107.08594	15.7
109.06508	6.8
109.10140	6.2
111.04429	2.9
111.08076	3.8
116.04707	9.9
117.07025	9.4
119.04896	1.2
119.08584	13.2
121.06504	3.5
121.10162	9.2
123.08075	12.5
125.05993	2.2
125.09631	13.8
129.05482	25.9
129.06920	5.1
130.07770	1.4
131.08583	8.0
132.05728	1.1
133.10107	6.2
134.56706	1.3
135.08093	3.2
135.11703	12.1
137.09581	2.7
143.07040	5.5
143.08574	2.6
145.10129	13.8
147.08063	3.0
147.11705	4.0
149.09641	2.3
153.09113	1.2
153.12744	2.1
155.08597	2.1
157.08620	12.1
157.10117	2.9
163.11188	27.2
165.12735	1.6
171.06516	1.5
171.10194	3.7
172.23953	1.2
173.09674	5.4
173.11836	2.1
175.11160	2.4
181.12201	5.1
185.11696	1.5
188.02296	1.1
189.11179	5.9
191.10638	2.7
193.12248	2.3
199.13332	5.2
200.14111	1.6
201.14857	2.1
207.41029	1.3
209.11766	10.7
210.12485	2.7
211.13324	2.0
227.12823	16.0
228.13397	1.1
229.14392	2.1
265.14334	1.3
267.15857	7.4
283.15405	100.0
301.16467	76.6
336.56372	1.4
337.16287	1.6
407.24188	1.3
437.25351	1.8
474.26205	1.9
475.27008	6.4
491.26404	4.1
492.27112	4.9
509.27509	58.0
526.36139	2.6
527.28333	1.9
544.37866	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	544.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	3.2
53.03936	8.3
55.01865	6.9
55.05507	31.8
55.96515	2.2
56.96554	7.1
57.03440	19.5
57.85003	2.3
59.05004	4.7
65.03941	2.6
67.05502	39.6
69.03428	9.0
69.07064	9.2
69.46185	18.1
71.05000	6.7
73.89425	2.4
79.05497	33.5
81.03419	81.6
81.07053	51.8
83.04984	24.1
83.08617	36.4
84.96036	2.7
85.02910	24.9
85.06547	2.9
91.05481	56.1
93.07044	36.8
95.04987	29.4
95.08616	19.5
97.02890	10.1
97.06536	10.1
97.10159	9.4
98.97547	2.8
99.00806	16.3
103.05467	3.7
105.07037	44.0
107.04951	15.7
107.08587	23.8
109.02871	14.0
109.06537	8.5
109.10172	10.1
111.04433	5.7
111.08099	14.8
113.05944	3.6
115.03951	3.5
115.05482	3.1
117.06997	5.6
119.08583	34.1
121.06513	10.8
121.10152	12.3
123.08078	7.5
127.03898	4.1
129.06976	12.8
131.08549	13.8
133.06522	4.7
133.10138	57.5
135.11720	4.9
137.09607	4.9
139.07529	3.8
142.07823	3.7
143.08519	7.6
145.10138	10.6
147.08054	6.8
147.11676	20.1
149.09633	9.5
151.11162	12.5
154.08597	2.8
157.10085	15.1
161.09619	25.0
163.11186	6.8
165.12761	2.6
169.88609	2.5
175.11165	13.1
179.10690	10.5
189.09146	8.5
193.12225	51.5
193.13898	4.2
207.10175	2.9
211.13289	97.9
211.15295	4.7
225.11154	14.3
243.12360	3.1
249.07967	3.2
263.09586	3.0
265.11127	3.7
267.15936	37.1
281.13855	8.3
283.15369	8.5
285.16974	81.0
299.14902	100.0
301.16379	4.1
459.27463	7.1
477.28262	9.0
485.25848	4.1
491.26254	22.2
503.26855	30.5
509.27429	95.2
521.27777	10.8
544.36676	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	544.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02378	0.3
65.36949	0.2
69.03436	0.3
69.25927	2.0
70.06593	0.9
72.08163	0.4
73.02929	0.4
77.03946	0.2
79.05476	0.2
81.03437	0.7
81.07056	0.2
85.02911	0.6
89.03919	4.1
91.05487	0.6
93.07050	0.3
95.04971	0.3
95.08611	0.2
96.56783	0.2
97.02905	0.5
98.21532	0.4
98.97563	0.4
105.03415	0.7
106.04173	0.4
107.04967	0.3
109.02911	0.3
112.70889	0.2
117.03381	11.8
117.57319	0.2
119.04920	0.4
121.06567	0.2
127.03857	0.2
132.04478	1.5
134.03659	0.6
135.04414	0.9
137.02383	0.3
145.02850	29.2
147.04445	0.5
149.05981	3.7
150.05472	1.1
153.05545	0.2
160.04027	0.8
161.04715	0.2
163.03900	1.7
169.04756	0.2
177.05475	81.9
178.04994	90.1
179.05287	0.4
186.05525	0.6
189.05472	0.3
206.04489	100.0
207.04762	0.2
237.02760	0.2
321.09598	0.7
335.09402	0.6
336.09647	0.4
339.10547	0.6
368.09760	13.9
412.20239	0.5
466.21429	0.2
542.66913	0.3
543.23901	0.6
544.14355	8.3
544.24182	17.0
545.25543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3685
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
51.42339	0.5
53.03946	2.0
55.01869	2.5
55.05270	0.9
55.05515	13.5
57.03441	3.8
57.07090	0.9
59.00989	0.6
59.04995	0.7
65.03955	0.9
67.05511	23.2
68.54324	0.5
69.03425	1.6
69.07073	7.1
70.60343	1.3
71.04997	1.6
71.08632	1.7
77.03931	0.7
78.27216	0.6
79.05499	15.5
81.03423	7.5
81.07064	18.2
83.04982	2.4
83.08625	8.1
85.02929	0.7
85.06562	1.1
91.05488	16.6
93.07049	14.7
95.04960	5.7
95.08616	11.9
97.06543	2.0
97.10181	6.5
99.08106	1.5
105.07039	14.5
107.04980	2.9
107.08600	9.2
109.06509	1.1
109.10169	8.3
111.08090	1.9
115.05493	1.5
116.06255	0.7
117.07026	9.5
117.87743	0.7
119.08591	11.9
121.06503	1.6
121.10135	5.5
123.08079	1.5
123.11725	1.1
125.09644	5.0
128.06207	1.3
129.07021	8.4
130.07834	0.7
131.08571	13.2
133.06482	1.7
133.10135	6.8
135.08040	1.5
135.11699	4.4
137.09590	1.0
137.13356	0.6
139.34865	0.6
141.07004	2.6
142.07785	1.7
143.08563	8.4
143.09599	0.9
145.06477	2.0
145.10129	10.9
147.08110	1.8
147.11720	5.3
149.09630	2.1
149.13271	1.9
151.11197	0.8
155.08601	4.5
156.09435	0.7
157.06485	0.7
157.10152	8.6
159.08047	2.6
159.11702	7.0
161.09685	1.1
161.13287	2.3
163.11208	1.7
163.14822	0.7
167.08611	2.4
168.97061	0.5
169.10123	5.2
171.08066	1.4
171.11694	7.3
173.09651	2.1
173.11871	1.1
173.13292	4.5
175.11218	2.0
175.14883	1.4
179.08627	1.3
179.14334	2.1
181.10115	3.4
183.11693	4.8
185.09642	1.2
185.13293	4.6
187.11311	1.0
187.13382	0.5
187.14911	2.0
189.11281	1.7
193.10228	1.4
193.12280	2.2
195.11745	3.4
197.09641	0.8
197.13289	4.1
199.11179	1.2
199.14899	3.3
201.12785	1.4
203.14409	0.9
207.11713	1.4
209.13316	2.4
211.13190	0.9
211.14883	1.6
213.12833	0.7
213.16525	1.1
221.13232	1.2
223.14928	1.3
225.16463	1.0
226.88130	0.6
227.12711	2.7
229.14389	1.0
233.13281	0.8
233.15398	1.0
237.12589	0.6
237.16481	0.8
241.16042	0.8
241.19548	1.1
247.17082	0.6
259.20584	3.2
265.19510	1.0
267.16022	2.2
277.21741	2.9
279.21234	0.6
283.20676	1.6
289.19321	0.9
297.18890	0.7
297.22174	2.3
299.20670	0.8
299.23605	3.7
301.21695	1.1
309.22058	0.5
313.21646	1.5
315.23102	1.0
321.21933	0.7
325.21722	1.6
333.24274	1.3
337.25204	0.7
339.23291	1.8
353.24857	1.3
357.24268	1.0
371.25705	0.7
415.30045	2.0
421.25870	0.6
423.32742	1.6
433.31042	7.1
445.29666	0.6
451.32153	8.9
469.33066	3.3
487.34094	0.9
507.34772	2.5
515.37195	1.8
525.35846	18.1
543.36859	100.0
544.37140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53913	0.6
53.03947	1.9
54.39811	0.6
55.01878	2.3
55.05271	0.9
55.05518	12.7
57.03427	3.4
57.07083	0.8
59.33150	0.7
65.03941	1.4
67.05510	24.6
69.03431	0.9
69.07076	8.4
71.04994	2.0
71.08630	0.7
71.55039	0.9
71.55407	0.7
72.73771	0.6
79.05499	15.3
81.03422	7.1
81.06593	1.2
81.07063	20.1
83.05000	3.2
83.08620	7.2
85.02908	1.0
85.23064	0.6
85.30315	0.7
91.05488	16.6
93.07052	17.3
95.04972	5.3
95.08611	13.2
95.24745	0.7
97.06544	2.1
97.10176	6.3
99.08105	0.9
103.05466	1.2
105.07037	15.8
107.04959	2.9
107.08592	10.1
109.06527	2.0
109.10159	8.8
111.08089	1.6
115.05431	0.9
116.64326	0.7
117.07027	9.7
119.04954	0.8
119.08583	13.6
121.06502	1.6
121.10145	5.3
123.08119	0.9
123.11726	2.3
125.09638	5.7
128.06235	2.6
129.07019	10.2
130.07753	0.8
131.08578	13.4
133.06560	1.2
133.10147	8.9
134.38408	0.7
135.08081	2.4
135.11739	2.8
137.09631	1.3
139.11241	0.8
141.06987	3.3
142.07860	1.6
143.08559	7.7
145.06540	1.8
145.10135	11.5
145.11153	0.9
147.08115	1.8
147.11707	5.7
149.06000	1.2
149.09705	0.9
149.13301	1.9
151.11259	1.2
153.06996	0.7
154.07721	0.7
155.08578	5.5
156.09296	1.1
157.10147	8.9
159.08095	2.4
159.11697	8.4
161.09676	1.6
161.13339	3.4
163.11200	1.4
163.14819	0.7
167.07277	0.6
167.08620	2.6
169.10104	6.2
170.39374	0.8
171.08162	1.0
171.11717	6.1
173.09651	1.2
173.13264	6.0
175.11217	2.0
175.14871	1.0
179.08693	1.3
179.14375	2.4
181.10161	2.8
181.12234	0.6
183.11697	5.8
185.09662	1.1
185.13246	5.9
187.11185	2.0
187.14897	2.3
189.11293	2.0
189.12854	1.0
193.10275	1.4
193.12326	2.8
195.11697	3.8
197.13283	4.3
199.11288	1.6
199.14868	2.1
201.12715	0.8
207.11714	1.3
209.13330	2.8
211.14929	1.4
213.12738	0.9
213.16365	1.1
223.14861	1.2
225.16512	1.4
227.12823	2.2
228.23227	0.8
229.14384	2.2
233.15431	1.1
235.14935	1.4
241.19559	1.8
247.14828	0.8
257.18967	0.7
259.20612	3.8
267.16086	2.5
275.20334	1.2
277.21677	2.0
283.20633	1.8
297.18848	0.7
297.22281	2.4
299.20654	1.1
299.23624	4.2
301.21649	1.1
309.22122	1.1
313.21704	1.2
315.23328	1.4
325.21841	1.4
333.24463	1.5
339.23303	1.7
353.25012	1.3
357.24042	1.2
371.25848	1.2
415.30182	2.1
421.25961	0.9
423.32587	1.4
433.30917	7.7
451.32092	8.7
451.37778	0.8
469.33127	4.6
484.24396	1.0
487.34494	1.2
507.34698	1.5
515.37567	1.9
525.29932	0.4
525.35797	21.4
543.36951	100.0
544.37354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11298	0.3
64.97103	0.2
70.67947	0.6
83.04970	0.3
87.25983	0.2
91.05475	0.3
97.06480	0.3
113.73563	0.3
123.89191	0.3
124.41781	0.3
124.78600	0.3
167.14339	0.8
170.22050	0.3
203.05412	0.4
210.86087	0.3
213.21219	0.3
273.37207	0.3
275.07437	0.6
316.47229	0.3
317.08368	0.5
329.39987	0.3
333.07950	1.3
335.09491	7.0
349.81085	0.2
410.27756	0.3
411.20016	2.6
459.18405	0.4
543.24072	100.0
544.24481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
51.02385	0.6
52.09855	0.5
53.03935	2.3
55.01864	2.5
55.05515	14.0
57.03436	3.0
57.07074	1.4
58.87225	0.6
59.05003	0.6
65.03934	1.1
67.05509	25.5
69.03410	1.3
69.07070	8.3
71.04990	1.4
71.08626	2.3
71.56060	0.8
79.05498	19.9
81.03427	6.2
81.06591	1.2
81.07060	21.9
83.04960	2.9
83.08627	7.9
85.06543	1.5
91.05486	15.6
93.07049	20.2
93.07635	1.0
95.04971	6.3
95.08609	13.5
97.02899	1.1
97.06522	2.7
97.10171	10.1
99.08093	1.7
103.05436	0.6
105.04508	0.8
105.07033	13.8
105.07700	1.2
107.04976	2.7
107.08596	12.0
109.06538	1.7
109.10170	7.7
110.10513	1.1
111.08113	1.7
113.09654	0.7
115.05477	1.1
117.07023	8.7
119.08593	10.0
121.06527	2.3
121.10144	6.7
123.08075	1.5
123.11756	1.1
125.09643	7.9
128.06215	1.9
129.07025	5.8
130.07776	0.8
131.08574	14.1
133.06538	1.1
133.10109	5.9
135.08052	2.5
135.11700	6.1
137.09651	1.3
141.07010	2.0
142.07780	1.1
143.08572	6.2
145.06474	2.4
145.10133	11.3
147.08035	1.4
147.11664	3.8
147.80510	0.6
149.09656	1.3
149.13274	1.9
151.11256	1.1
153.07080	0.7
153.09074	1.3
153.12794	1.0
155.08540	4.4
156.09299	0.7
157.06529	1.3
157.10150	4.7
159.08125	2.4
159.11676	4.9
161.09590	1.7
161.13243	3.3
163.11214	5.3
163.14870	0.9
167.08611	2.2
169.10181	3.9
171.08116	1.9
171.10406	0.7
171.11696	3.4
173.09695	1.3
173.12022	0.7
173.13255	3.6
175.11234	1.0
175.14853	1.7
177.12752	0.7
179.14259	3.0
181.10153	2.3
181.12280	1.6
183.11705	3.4
185.09619	1.6
185.13254	3.8
187.11234	1.1
187.14799	3.6
189.11253	3.5
189.12813	1.1
189.16463	0.7
193.10219	0.9
193.12238	1.6
195.11746	1.9
197.13226	3.3
199.14828	2.6
201.12823	1.0
201.16368	1.3
207.11771	0.7
209.13327	1.5
211.11266	0.5
211.14857	2.4
213.12921	1.1
213.16475	1.7
223.14867	1.2
225.16466	1.4
227.12733	10.7
227.14532	0.9
229.14323	1.4
230.14738	1.0
235.14905	1.1
237.16537	0.9
239.17912	1.0
241.19482	0.7
257.19043	0.8
259.20602	1.2
261.22235	1.9
267.16055	1.0
271.24304	1.1
275.20111	2.2
277.21725	2.5
283.20660	1.2
297.22150	1.2
299.20496	0.9
299.23737	7.5
301.21796	1.0
315.23370	0.8
317.24896	0.7
336.26141	1.3
339.23288	0.8
357.24451	1.0
415.30374	0.6
417.27545	0.7
423.32697	1.6
433.31000	4.4
451.32123	7.7
469.33069	4.6
480.66544	0.7
487.34186	2.1
490.35992	1.1
499.33926	1.0
515.37323	0.8
525.35748	12.5
525.42950	0.9
543.36859	100.0
544.37158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62093	0.3
55.05510	0.4
58.89709	0.3
66.24682	0.3
69.03424	0.5
70.06578	0.7
71.53501	0.5
72.08144	0.5
79.05473	0.4
81.03395	0.3
81.07053	0.6
83.04972	1.6
83.08604	0.5
85.02895	0.5
90.03838	0.3
91.05496	0.5
95.08596	0.3
107.08590	0.5
109.06565	0.3
109.10113	0.4
120.12972	0.3
121.10133	0.4
123.11745	0.4
127.03844	0.4
131.00191	0.3
147.03168	0.4
151.11200	0.7
167.14301	2.1
177.05515	0.5
183.09311	0.3
194.69237	0.4
203.05388	0.5
209.15424	0.6
249.09689	0.9
249.14549	0.4
267.10730	1.5
275.07382	1.7
285.11896	0.4
286.81323	0.4
306.20081	0.3
309.11731	0.5
317.08417	1.0
324.11621	0.6
333.07895	2.1
333.11960	1.4
335.09476	14.5
342.12491	0.9
349.11703	0.3
411.15308	5.4
411.20053	3.3
428.33722	0.3
444.83624	0.3
485.20044	1.5
525.23547	0.4
543.23486	100.0
544.24945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79281	0.2
56.01001	0.2
60.51818	0.2
61.47375	0.1
63.60197	0.1
69.03424	0.3
71.05111	0.3
75.26909	0.1
75.34904	0.2
81.07033	0.3
81.60226	0.2
85.02887	0.2
91.05489	0.2
107.08572	0.3
115.70728	0.2
143.62514	0.2
155.03206	0.2
166.89911	0.2
171.41866	0.2
203.05266	0.6
216.48932	0.2
228.13954	0.2
237.14497	0.4
246.14851	1.7
246.65164	0.2
275.07385	0.8
335.09476	10.8
361.02164	0.2
362.02640	0.2
411.19934	3.9
450.41644	0.2
525.23169	0.5
543.24115	100.0
544.24713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.22
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
56.96558	0.6
61.90367	0.3
62.11573	0.4
67.05517	0.4
69.06998	0.4
70.06568	0.5
70.22720	0.4
71.05013	0.4
71.56046	0.3
77.91268	0.3
81.07056	0.6
85.02878	0.9
88.36495	0.4
91.05490	0.9
93.07040	0.8
95.04934	0.4
98.97612	1.8
105.06987	0.5
109.02913	0.5
110.97570	0.6
121.10161	0.7
126.96944	0.4
128.98621	0.4
129.03384	1.2
137.06004	0.7
141.40327	0.3
145.02847	0.9
146.99614	0.4
147.04503	0.4
149.09558	0.4
161.05887	0.4
175.03955	0.4
177.05527	1.7
189.05492	6.3
219.01750	1.0
237.02827	1.1
267.12720	0.5
272.05481	0.5
285.13791	0.8
286.07040	1.8
288.61407	0.3
289.05408	0.8
309.13776	0.6
319.09344	0.8
401.09894	0.4
402.10611	0.7
411.17145	1.1
427.12839	0.8
429.17746	0.8
429.28311	0.3
463.61963	0.4
543.22089	100.0
544.22729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	0.7
70.06565	0.9
71.21837	0.6
73.02902	0.5
83.04922	0.4
85.02868	0.4
91.05472	0.8
97.02845	0.4
98.97554	0.4
107.08537	0.4
118.10811	0.4
127.49219	0.3
129.03340	0.3
163.03856	0.7
177.05399	0.7
189.05470	0.4
207.08585	0.4
231.08681	0.4
249.09467	0.6
249.11197	0.8
250.11372	0.6
267.10837	2.3
275.07266	0.7
285.11642	0.5
291.10724	0.7
309.11609	0.7
317.08194	0.5
324.11539	0.5
333.07895	0.5
333.11783	1.2
335.09488	4.2
342.12384	0.8
411.16107	11.0
485.19525	0.7
525.22461	0.5
530.52441	0.4
543.20074	100.0
544.21094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19682	0.6
53.60410	0.6
56.59352	0.6
56.73990	0.6
62.98256	3.3
69.82774	3.4
73.89011	0.7
83.56606	0.6
83.87042	0.6
87.34655	0.6
98.21437	0.7
158.96429	3.0
179.01505	0.8
200.97495	5.6
223.06578	0.9
245.04939	2.0
287.05878	0.8
301.03903	2.4
305.05777	0.8
361.05862	3.6
363.07022	0.9
365.10541	1.8
381.07953	11.7
409.10541	3.7
543.13275	100.0
544.13965	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40542	0.3
64.62077	0.2
69.03424	0.7
71.04996	0.3
71.20406	0.6
79.05482	0.3
85.02882	0.4
95.04980	0.4
97.02877	0.4
98.97576	0.9
108.37878	0.3
116.98660	0.4
119.04952	0.4
123.04401	0.3
127.03889	0.4
145.02820	0.4
147.04399	0.6
157.04691	0.5
160.46033	0.3
163.03906	0.4
169.04707	0.4
177.05464	0.7
189.05461	0.6
202.06677	0.3
203.05359	0.7
203.23517	0.3
207.06551	0.3
215.03206	0.3
233.04213	1.2
247.05699	0.6
250.85922	0.3
259.08038	0.7
259.10706	0.3
265.06894	0.7
301.08890	2.0
317.08511	0.3
319.10001	10.2
335.09546	4.4
427.12430	0.8
443.09061	0.3
461.09641	0.4
481.18399	0.4
499.17426	0.3
511.14163	0.6
525.15710	1.0
543.16797	100.0
543.24091	11.7
544.16711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
55.05510	5.9
57.03428	2.8
57.07067	2.4
59.04990	1.6
61.02929	3.4
61.62687	0.7
65.96613	0.7
67.05498	2.7
67.76652	0.6
69.03438	6.8
69.07072	15.8
69.91680	0.9
69.92088	3.0
70.06577	1.6
71.04992	3.5
73.02923	11.0
79.05506	1.5
81.03402	2.0
81.07068	10.9
83.04983	2.8
83.08634	3.5
85.02909	14.0
85.06547	10.6
87.04478	0.8
91.05508	1.1
93.07037	4.8
95.08615	14.9
96.08893	0.6
97.02898	8.4
97.06515	1.9
97.10197	6.6
98.20807	1.0
98.97588	1.3
99.04451	1.0
99.08092	7.2
103.03881	0.7
103.56957	0.6
105.07035	1.4
107.08600	10.8
109.02878	1.9
109.06567	0.8
109.10165	7.4
111.08086	1.6
111.11710	2.3
113.09626	3.4
115.03938	4.5
121.10149	17.3
123.11734	3.9
125.09627	3.1
127.03896	2.7
131.04921	1.1
133.04967	4.7
135.11699	9.1
137.05998	8.8
137.13271	11.3
139.11200	4.0
145.02890	1.3
145.04961	3.1
149.13278	2.5
151.07518	0.8
151.14839	2.5
153.12720	4.6
158.99576	0.7
161.05933	0.7
163.06122	0.7
163.07501	2.7
177.05486	1.7
177.16400	36.2
189.01837	1.2
195.17482	13.8
213.18509	100.0
223.05919	0.9
285.16925	2.6
287.05618	1.1
288.05820	0.9
295.13312	1.2
308.26694	0.9
309.20630	0.9
327.15796	2.1
345.22711	25.4
361.02271	2.2
375.23804	9.2
507.28049	12.8
513.44623	0.7
542.21533	12.5
543.23987	1.6
559.11658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
56.96549	1.0
57.03433	0.9
61.02920	1.7
63.87955	0.4
67.05493	1.3
69.03422	1.7
69.07069	1.0
70.06575	0.5
71.05000	3.5
71.56056	0.6
73.02913	1.8
74.11383	0.5
79.05486	0.9
81.07061	3.0
83.04991	0.9
84.08162	0.8
84.96030	0.8
85.02905	6.9
91.03957	1.8
91.05457	0.7
93.07078	2.3
95.04949	1.1
95.08630	2.3
97.02894	2.1
97.06573	0.6
98.97569	2.8
99.08103	1.8
100.08418	0.5
105.07032	0.6
107.08595	2.1
107.92741	0.5
109.10155	2.0
110.97608	0.7
111.08109	0.6
119.04998	0.9
121.10163	1.5
123.11720	2.2
125.09690	0.5
127.03926	0.8
128.98618	0.6
129.05461	1.1
133.10144	0.9
135.11690	1.1
137.06007	1.3
137.13234	0.5
143.00150	0.5
145.02852	0.9
145.05002	0.6
147.04427	1.0
149.13322	0.5
152.00462	0.5
153.10278	1.2
161.05902	0.6
177.05519	0.8
179.78708	0.6
193.15842	0.9
194.16249	0.6
211.16943	2.7
212.17308	2.6
219.01678	1.0
237.02780	0.9
277.08664	0.6
287.05493	8.0
288.05777	1.0
289.25449	0.9
307.12357	0.5
307.26212	1.0
321.07678	2.1
325.05991	0.6
326.06525	2.1
326.56812	0.6
335.09470	1.5
337.10605	1.0
343.01358	2.2
349.07056	1.7
361.02298	12.0
362.02533	0.7
367.08051	1.0
379.03424	2.3
379.13882	0.6
387.05426	1.1
409.18771	3.0
412.17715	0.6
460.07916	0.6
487.05487	0.9
505.06195	1.2
506.26801	1.0
530.64044	0.6
541.21527	100.0
542.22308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07415	0.5
53.03947	2.4
55.01880	3.5
55.05513	20.4
57.03446	2.8
57.07073	1.3
57.77330	0.5
64.89285	0.5
65.03943	1.4
65.95676	0.5
67.05507	20.7
69.03433	1.3
69.07069	8.1
71.04984	2.3
71.56353	0.8
73.02934	0.6
79.05495	17.2
81.03426	4.9
81.07058	18.0
83.04995	3.1
83.08622	9.9
91.05477	15.0
91.06012	1.1
93.07045	13.8
95.04968	6.0
95.08606	9.5
97.06544	2.4
97.09545	1.1
97.10170	12.1
103.05446	0.9
105.04550	0.5
105.07030	13.9
107.04941	3.2
107.08593	9.6
109.06512	2.0
109.10155	7.3
111.04467	0.9
111.08082	2.3
115.05501	1.7
117.07024	11.5
119.08584	9.4
121.06516	2.0
121.10141	5.1
123.08057	1.8
123.11690	1.0
125.09633	7.8
128.06244	2.9
129.07011	11.2
130.07811	1.5
131.08578	11.7
133.06458	0.8
133.10138	5.9
135.08072	2.1
135.11723	2.6
137.09644	1.0
141.06982	4.4
142.07806	2.8
143.08566	10.7
145.06505	2.1
145.10132	9.5
146.98242	1.0
147.08080	2.4
147.11684	3.0
149.09599	1.3
153.06998	1.2
153.09100	1.1
153.12775	0.9
154.07764	1.2
155.08568	7.6
156.09377	1.7
157.06491	1.5
157.10124	9.3
158.07216	0.6
159.08014	3.0
159.11691	5.7
161.09654	1.0
161.13275	1.4
163.11243	1.9
165.07016	1.4
166.07823	1.6
167.08577	3.2
168.09358	1.2
169.10120	7.8
170.07065	0.6
171.08087	2.0
171.10257	1.0
171.11687	8.3
173.09612	2.7
173.11871	0.9
173.13177	2.8
175.11194	1.5
178.07840	0.7
179.08571	1.9
181.10176	5.4
181.12219	0.8
182.10979	1.0
183.08110	1.4
183.11693	7.5
185.09642	2.3
185.13242	5.8
187.11244	1.4
187.14902	1.2
189.11253	4.9
189.12808	1.3
193.10196	2.2
193.12282	1.3
195.11720	4.1
197.09674	1.3
197.13264	4.4
199.11197	1.9
199.14784	2.8
207.11768	2.6
209.09831	0.8
209.13322	5.1
211.11151	1.5
211.14810	2.4
213.12776	1.5
219.11681	1.1
221.13336	2.5
223.11221	0.9
223.14844	1.8
225.12834	0.8
225.16376	0.7
227.12715	5.9
235.14838	1.8
237.12636	1.1
237.16437	1.0
239.14389	1.2
247.14900	0.8
251.14326	0.7
251.18019	1.0
257.19009	1.7
259.20615	1.2
261.16281	1.0
267.15918	0.9
275.20193	1.9
277.19516	0.9
279.21164	1.0
281.19037	1.9
295.20328	1.2
297.22076	7.6
307.20593	0.7
313.21707	1.0
315.19806	0.7
315.23227	1.4
323.20062	1.1
325.21652	1.3
337.21613	1.4
339.23260	0.8
353.24908	0.9
355.22913	0.8
403.30023	1.1
408.18701	0.7
413.28677	1.3
421.31216	1.7
431.29453	6.1
443.28247	1.0
449.30515	10.6
467.31531	5.8
485.32550	2.8
487.31137	0.7
505.32959	1.7
513.35980	1.1
523.34290	12.9
541.35284	100.0
542.34546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.2
56.96566	8.1
56.96867	3.6
57.03422	14.7
59.05005	5.8
61.02910	7.3
65.03902	4.7
66.23602	4.2
67.05494	14.0
67.63451	3.8
69.03432	33.8
69.07053	11.2
70.06589	8.1
70.87681	11.6
71.04987	13.9
73.02910	14.4
76.16930	4.4
79.05480	9.1
81.03427	5.4
81.07043	13.7
83.04981	13.0
83.08602	10.7
84.08154	5.7
85.02908	60.3
85.06509	9.2
86.09727	6.1
87.04482	8.8
91.05491	20.5
93.07030	17.0
95.04996	9.3
95.08594	18.3
97.02885	36.4
97.06537	7.8
98.97588	16.4
99.04451	7.6
99.08080	21.3
101.05974	4.5
105.07012	10.6
107.08619	21.5
109.02873	12.5
109.06502	7.4
109.10158	43.8
111.04427	7.8
111.08080	5.9
115.03903	13.2
116.98621	7.3
119.04919	22.4
119.08561	31.5
121.10127	19.8
123.08049	7.9
123.11697	15.7
124.07580	4.8
127.03893	18.1
127.07533	6.8
133.04932	11.5
133.10152	33.9
135.08060	8.3
135.11700	32.5
136.07593	4.8
137.05971	5.5
137.09599	19.2
138.05450	13.1
145.04916	12.2
147.04408	100.0
147.11719	6.5
148.04762	22.2
148.05865	3.7
149.13239	8.1
151.11113	6.2
152.07111	4.6
155.10612	7.7
158.99544	6.5
166.04951	6.4
167.86214	4.0
175.14836	48.6
177.05455	12.9
181.04942	4.5
181.12206	6.0
191.14095	4.6
191.42717	5.1
193.15897	63.9
211.13293	46.5
211.16919	85.0
216.41777	4.0
227.16368	6.1
228.16707	5.1
229.14261	8.8
229.18010	23.1
237.02841	5.9
249.02809	12.1
280.10724	4.9
291.03641	6.5
314.03677	5.5
377.05103	5.1
386.05560	18.9
405.43616	4.7
540.19751	29.8
541.20300	5.3
559.20630	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	540.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10906	1.3
55.01865	2.1
55.05503	3.9
56.29499	1.0
57.03421	4.3
59.04983	1.3
61.02913	2.3
61.86081	1.0
67.05489	4.4
69.03094	1.3
69.03433	12.5
69.07073	8.6
69.30296	9.4
71.04976	5.0
73.02918	8.0
77.05568	1.0
79.05486	2.9
81.03407	1.5
81.07052	10.4
83.04971	2.3
83.08597	4.9
85.02905	15.9
85.06567	2.2
87.04469	5.9
91.05485	4.3
93.07052	7.9
95.04956	2.9
95.08608	20.2
97.02901	13.2
97.06538	9.3
98.20748	2.3
98.97569	1.9
99.04475	6.3
99.08099	7.0
105.07029	5.7
107.08602	13.8
109.02851	1.6
109.06512	5.9
109.10161	20.3
111.08080	2.2
111.11726	1.7
115.03931	10.2
115.07592	13.0
119.04913	4.2
119.08569	12.4
121.10136	7.5
123.08047	3.7
123.11697	6.7
127.03915	4.3
127.07573	1.2
127.11138	1.9
129.09108	2.3
133.04985	9.0
133.10126	26.2
135.11693	24.9
135.12706	1.7
137.09607	6.3
141.09106	2.1
145.05008	6.1
147.04416	15.7
147.11642	3.4
149.13235	6.3
153.12735	4.6
155.10670	1.4
158.46283	1.2
163.03964	1.4
163.06013	2.6
165.12746	1.5
175.14830	43.6
177.05377	1.3
177.16356	6.1
191.14276	1.8
193.14056	1.6
193.15884	69.2
211.16940	100.0
229.17946	4.0
259.08054	2.8
273.11871	2.1
295.10196	2.2
321.07443	3.0
325.20044	4.6
333.27499	1.4
349.06918	2.6
355.21204	1.3
373.22235	1.8
404.74777	1.3
505.26651	2.7
541.13147	2.8
541.20435	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	540.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03627	1.7
50.09860	1.3
51.27288	1.3
53.03940	2.2
55.01855	2.8
55.05511	5.4
57.03431	3.7
59.04996	3.0
67.05502	6.4
69.03429	11.1
69.07069	15.4
69.83987	5.6
71.04990	5.5
73.02916	13.6
79.05492	2.8
81.03414	3.2
81.07050	12.3
83.05005	1.8
83.08626	8.4
85.02915	20.7
85.06536	2.4
87.04472	5.8
91.05498	4.9
93.07043	10.4
95.04961	4.3
95.08613	24.3
97.02891	21.7
97.06541	12.5
98.20895	3.3
98.97567	3.4
99.04461	7.9
99.08078	1.9
101.06013	1.7
105.07037	7.5
105.56881	1.5
107.08609	16.9
109.02859	2.4
109.06529	9.7
109.10160	25.4
111.08084	4.1
111.11729	3.9
115.03935	9.1
115.07570	13.1
119.04963	3.4
119.08593	17.7
121.10138	7.8
123.08057	5.8
123.11706	7.7
127.03936	5.5
127.11238	3.1
128.09796	1.6
133.04956	9.4
133.10133	32.0
135.11691	37.1
137.09637	5.8
141.09103	2.6
141.12759	1.9
145.04993	7.8
147.04428	10.9
147.11693	3.6
149.13240	11.0
153.12749	4.1
159.93565	1.5
163.06035	2.2
175.14833	52.1
177.05539	2.3
177.16409	6.4
188.46066	1.7
193.15886	78.1
209.15329	1.9
211.16940	100.0
219.01674	1.8
219.10191	1.6
229.18040	4.1
240.64006	1.8
241.07001	2.7
259.08145	2.9
307.18988	1.9
325.20090	5.5
373.22198	1.6
540.41278	1.9
541.20551	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	540.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57858	0.3
55.01857	0.4
55.05510	0.6
56.96559	0.4
57.03440	7.5
60.75978	0.3
61.02930	2.3
64.79939	0.3
65.03945	1.5
69.03430	8.7
70.33049	0.4
70.33428	0.7
71.01348	1.2
71.04998	0.7
73.02918	15.1
79.05470	0.7
81.03409	1.3
81.03873	0.3
81.07062	0.8
85.02903	11.2
86.09704	0.4
87.04446	0.6
91.05481	100.0
92.05817	0.3
93.07029	0.5
95.04970	0.3
95.08620	0.8
97.02891	14.9
97.06547	0.5
98.20832	0.4
98.97588	0.5
99.04451	0.6
105.06977	0.3
107.04955	13.9
107.08612	0.6
109.02870	1.1
109.10137	0.4
110.07251	0.3
115.03934	11.3
119.08593	0.4
120.08125	0.3
121.10149	0.4
127.03911	3.4
131.04901	0.6
133.04974	3.7
133.10088	0.5
135.11725	0.3
137.05952	0.5
142.31343	0.3
145.02861	0.3
145.04965	3.4
147.04448	0.4
149.05998	0.4
151.07536	0.3
153.01869	1.2
163.03885	0.7
163.06071	0.9
166.61502	0.3
171.02972	0.4
177.05399	0.3
179.61850	0.3
181.04962	0.3
189.05499	0.6
191.07050	0.4
212.33391	0.3
223.06094	1.2
229.08612	6.0
229.18089	0.8
241.07074	0.9
259.08124	0.6
268.08237	0.6
273.07675	0.8
274.68094	0.3
295.10114	0.5
350.75024	0.4
391.94000	0.3
539.97632	0.4
540.28766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01862	2.6
55.05513	11.7
57.03439	10.9
57.06794	2.0
57.07078	34.9
65.03937	1.3
67.05502	22.0
69.03423	1.0
69.07070	12.8
70.10485	2.2
70.10884	1.8
71.04996	1.9
71.08633	24.9
78.24097	0.9
79.05490	20.5
79.05920	1.7
81.03440	2.2
81.06593	1.7
81.07058	28.7
83.04975	2.7
83.08621	13.5
85.06540	1.5
85.10182	15.4
89.06043	2.9
91.05472	7.4
93.03387	1.0
93.07047	33.1
95.04977	6.2
95.08614	44.8
97.02882	5.1
97.06529	3.8
97.10160	3.7
99.04488	2.2
99.11731	1.0
105.07044	6.3
107.04948	8.9
107.08591	21.8
109.06514	2.1
109.10139	8.4
111.04432	1.5
111.08145	1.1
117.06997	8.9
119.08579	9.5
121.06480	5.4
121.10159	11.2
123.11698	2.2
125.06006	2.5
130.07774	2.0
133.10138	1.8
135.08104	1.8
135.11699	40.3
135.12738	2.1
139.07571	2.7
143.08524	1.0
145.10130	26.8
163.11186	52.4
181.12238	10.4
186.13597	1.0
203.57562	1.1
209.11609	1.5
227.12790	100.0
230.81340	0.9
239.23645	3.3
257.24811	1.2
283.15393	58.2
286.99408	1.0
303.74930	1.1
313.27368	97.5
414.35995	1.2
521.38403	70.4
523.87964	1.0
539.39099	3.6
539.46332	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.01868	5.3
55.05512	22.8
57.03437	15.6
57.07077	48.4
60.60235	1.8
67.05506	33.1
69.03427	2.9
69.07069	15.6
70.79453	5.1
71.01349	1.9
71.04985	2.4
71.08250	2.2
71.08633	28.2
73.02908	2.0
75.80500	2.0
79.05495	27.8
81.03391	4.3
81.07061	39.9
83.04982	5.9
83.08626	17.9
85.02897	3.2
85.10163	14.1
91.05479	11.3
93.07046	32.4
95.04958	7.4
95.08612	52.1
97.02925	4.8
97.06512	5.2
97.10168	10.5
99.04427	2.9
105.07026	8.2
107.04949	8.0
107.08581	26.5
109.06530	3.5
109.10172	13.7
111.04436	6.5
117.07039	9.9
119.08545	11.7
121.06483	5.7
121.10169	11.9
123.11662	3.6
125.09594	3.4
133.10097	3.5
135.11694	42.0
137.17943	1.8
145.10126	24.4
151.50908	2.0
153.12776	3.0
163.11174	46.3
173.09644	2.1
176.08601	1.9
181.12195	9.4
191.10628	4.6
209.11746	8.5
227.12781	85.0
234.78334	2.2
239.23692	5.8
283.15393	53.2
313.27365	100.0
467.36984	4.1
521.38397	72.5
539.39056	21.3
564.82581	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.4
55.05513	17.9
57.03439	12.3
57.07079	54.7
65.67123	1.5
67.05183	2.0
67.05512	28.2
69.03426	8.4
69.07069	17.5
70.10976	7.3
71.04974	3.3
71.08636	40.3
73.02916	10.2
79.05499	25.3
81.03432	10.1
81.07064	34.3
83.04988	8.7
83.08244	1.7
83.08633	19.1
85.02892	6.9
85.10188	21.4
89.06041	1.7
91.05491	10.2
93.07048	37.2
95.04952	6.3
95.08613	51.9
97.02870	8.1
97.06512	4.8
97.10170	10.1
99.04432	6.3
99.11696	1.7
105.07036	9.8
107.04973	8.9
107.08590	26.9
108.21425	1.9
109.02898	10.8
109.06466	3.3
109.09585	1.7
109.10181	18.3
111.04469	12.4
111.11757	2.4
117.07042	9.3
119.08563	8.9
121.06480	5.4
121.10165	11.4
123.11679	5.8
125.09671	1.8
127.03893	6.9
130.07755	2.4
131.08580	3.4
132.99550	4.9
133.10124	4.3
135.08051	2.6
135.11702	40.5
137.13141	2.3
145.10135	23.0
163.11192	49.5
173.09616	2.7
181.12274	10.5
191.00076	6.7
191.10649	3.9
209.01219	1.8
209.11731	19.7
221.22774	2.2
226.04657	1.6
227.12788	88.7
239.23711	20.7
252.31145	1.8
257.24646	2.6
283.12430	3.6
283.15396	54.7
313.27368	100.0
367.28494	2.1
521.38428	63.6
539.29260	15.1
539.39337	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	539.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90107	2.3
51.95517	2.1
53.03933	3.3
55.01864	10.9
55.05509	17.6
57.03438	18.7
57.07077	44.4
67.05503	23.0
69.07068	11.0
71.04993	3.0
71.08633	30.8
79.05497	21.4
81.03430	11.7
81.07053	32.3
83.01350	6.5
83.04961	12.8
83.08617	18.0
85.02906	6.0
85.10193	15.2
91.05482	8.9
93.07050	25.6
95.04957	7.6
95.08612	28.8
97.06512	4.7
97.10173	3.9
105.07035	10.5
107.04948	9.0
107.08597	12.0
109.06512	4.3
109.10168	15.2
111.04458	3.5
111.08064	4.5
117.07013	8.2
119.08591	6.7
121.06518	3.8
121.10145	10.1
123.08019	4.7
131.08548	3.1
133.10033	3.0
135.11687	18.1
145.10121	15.1
153.12709	4.5
155.08458	2.9
163.11188	29.8
173.09622	4.8
181.12190	6.8
191.10703	7.2
209.11758	16.6
227.12775	24.0
239.23740	5.1
283.15414	89.6
313.23624	4.7
313.27353	100.0
333.82773	2.4
521.38336	65.6
539.39575	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	539.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
57.07060	0.6
67.05501	0.6
68.75620	0.3
69.07062	0.7
69.17496	0.3
70.91476	0.8
79.05485	0.4
81.03378	0.3
81.07040	0.8
86.09699	1.3
93.07027	0.7
95.08611	0.5
97.10133	0.4
98.97559	0.7
104.10758	0.8
105.07018	0.3
107.08545	0.4
109.10191	0.3
125.00038	0.4
131.00180	0.5
133.63985	0.3
135.11626	0.4
177.00664	0.4
184.07349	2.1
203.05316	1.4
207.11453	0.3
209.11752	1.0
227.12790	0.5
239.23674	0.4
319.19550	0.6
321.22842	0.8
447.33429	0.3
500.77734	0.3
521.37628	0.4
538.82080	1.6
539.31897	100.0
540.32330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71868	2.1
55.05510	8.1
57.03428	4.2
57.07082	45.1
61.02922	2.4
67.05514	12.8
69.07079	10.6
69.29306	18.6
71.08637	36.6
72.85953	2.4
77.01569	2.1
81.07053	23.0
82.20285	2.0
83.08605	9.8
85.02892	2.8
85.10176	21.7
93.07015	2.7
95.08611	27.8
97.10157	8.9
98.21468	3.1
98.21998	2.3
109.10166	11.5
111.11741	4.9
123.11684	6.6
137.13226	4.1
152.00201	2.0
267.26849	27.0
285.27875	3.3
297.68341	2.2
341.30505	100.0
359.31558	16.5
538.37799	6.7
538.52533	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.8
53.03952	9.0
53.69843	1.6
55.01873	19.2
55.05513	18.1
56.73090	1.6
57.03432	17.3
57.07076	74.9
59.76524	1.9
61.02908	5.7
67.05145	1.6
67.05505	39.9
69.03429	45.2
69.07063	21.8
69.53748	11.8
71.01342	2.3
71.04977	8.9
71.08630	56.6
73.02508	3.0
73.02917	45.5
75.04472	2.2
79.05495	15.0
81.03415	34.9
81.07053	47.8
83.04974	14.9
83.08615	35.0
85.02907	36.7
85.03392	1.1
85.10179	33.8
91.05468	7.7
93.03418	2.6
93.07037	11.4
95.04980	4.1
95.08604	60.1
97.02895	15.6
97.06503	2.9
97.10155	15.2
99.04454	22.4
99.11732	2.4
103.03909	2.1
105.07038	2.9
107.04934	3.8
107.08579	8.2
109.02877	60.8
109.10149	29.0
110.03679	7.8
111.04441	61.6
111.11719	4.7
117.07001	3.0
119.08560	4.2
121.10145	6.8
123.08014	2.2
123.11714	11.9
125.09628	2.2
125.13276	4.0
127.03905	32.9
131.08507	3.8
132.99538	23.1
135.11682	6.3
137.13217	10.2
139.14810	2.6
145.10110	5.3
149.09657	1.9
151.00630	4.9
151.14798	3.2
153.12688	2.5
155.00046	2.6
155.08723	1.9
163.11209	7.6
165.16336	2.5
172.99065	4.4
173.09660	2.3
181.12238	3.3
191.00102	31.7
191.10658	4.3
209.01096	11.7
209.11707	23.0
221.22636	6.0
224.92468	2.0
227.12762	9.5
239.23676	97.4
257.24722	12.5
265.03754	4.6
283.15433	11.9
295.62460	1.6
298.27475	2.2
313.27359	57.7
329.45880	1.8
341.26776	3.6
355.28265	2.9
521.38513	9.7
539.28717	100.0
539.39087	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	538.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01874	0.7
55.05503	2.8
57.03436	3.2
57.07066	0.4
59.04985	1.3
61.02922	0.6
65.03928	0.7
67.05492	2.2
69.03427	5.7
69.07076	3.4
69.29001	5.3
70.06596	0.6
71.04977	1.1
73.02922	2.8
75.04462	0.5
79.05493	11.7
81.03416	1.4
81.07060	16.8
83.04973	1.1
83.08616	0.7
85.02906	8.6
85.06543	1.4
87.04465	3.3
88.80582	0.5
91.05463	4.7
93.07053	7.2
95.04955	1.4
95.08613	7.3
96.65942	0.5
97.02888	5.5
97.06543	3.1
97.10154	0.7
98.21587	0.6
98.97604	0.9
99.08102	1.1
103.05499	0.5
105.07034	4.4
107.04926	0.6
107.08598	50.8
109.06507	2.5
109.10132	2.0
111.04456	0.5
111.08086	0.8
115.03942	4.0
115.07566	0.8
119.04973	0.7
119.08595	5.1
121.06592	0.9
121.10141	16.5
123.08067	2.5
125.09634	3.2
127.03936	1.6
129.05556	0.9
129.42494	0.5
129.75356	0.6
131.08572	1.2
133.04951	4.3
133.10155	4.1
135.07986	0.5
135.11697	3.8
136.07651	0.6
137.09634	1.0
137.13307	0.7
139.11179	1.7
140.31570	0.5
145.04950	2.4
145.10115	1.1
147.04414	2.6
147.11662	1.3
149.09584	1.1
149.13251	1.6
150.07584	0.7
151.11197	1.3
152.07039	0.6
161.13264	13.3
162.60753	0.5
163.03911	1.5
163.06003	1.4
163.11270	0.6
163.14828	6.7
165.12776	0.9
173.13277	1.9
175.14867	1.1
177.05525	1.7
177.12782	0.6
177.16380	4.1
179.14314	100.0
182.79924	0.5
191.14317	13.3
193.15926	4.2
207.13866	1.0
209.15373	23.9
213.18477	3.1
215.14323	0.6
233.15286	0.8
259.08127	1.1
275.16446	0.7
287.16473	0.8
295.10239	1.9
305.17615	0.7
305.31549	0.6
311.18735	0.8
323.18628	3.0
335.18512	0.7
341.19513	1.1
353.19644	1.6
371.20715	0.7
449.81299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50613	1.1
55.01866	2.3
55.05511	6.0
57.03441	5.6
57.07069	2.0
59.04979	1.4
59.34316	1.0
61.02926	4.4
67.05500	5.5
69.03437	12.7
69.07053	3.1
70.69553	2.8
73.02574	1.3
73.02921	17.0
79.05474	3.0
81.03409	1.1
81.07054	9.8
83.04985	9.9
83.08620	6.6
85.02437	1.4
85.02904	19.0
85.06524	2.9
87.04475	5.3
88.53210	1.0
91.05467	3.7
91.09332	0.9
93.07038	4.5
95.04373	1.8
95.04967	31.4
95.08627	5.2
97.02889	13.6
97.06530	5.8
98.97585	2.5
99.04468	7.7
105.07028	7.7
107.08611	13.2
109.02884	1.5
109.06507	10.7
109.10157	20.6
111.08049	3.0
115.03922	10.9
115.07565	3.0
117.06999	1.1
119.08594	4.6
121.10139	13.0
123.08049	3.1
123.11684	4.9
125.09589	3.8
125.50762	0.9
127.03934	4.8
131.08562	4.8
133.04955	9.9
133.10138	22.4
135.08023	3.9
135.11731	2.4
137.09656	1.2
139.11166	3.8
145.04987	4.5
145.10091	2.0
147.11650	7.0
149.09572	1.0
149.13266	6.3
151.11172	10.2
153.09114	14.1
158.10847	2.6
163.05975	3.0
163.14774	5.5
165.12790	4.6
167.14336	10.4
172.13812	1.0
173.13271	16.6
175.14845	4.8
181.12219	1.3
181.15819	1.1
191.14290	17.5
191.15894	1.7
193.15852	2.7
209.15375	100.0
223.06013	1.0
227.16415	15.2
241.07256	1.4
249.02776	2.8
259.08163	3.2
279.09802	2.5
287.16367	0.9
291.03925	1.7
302.09564	1.2
341.19510	2.9
371.20557	3.0
435.14618	1.5
472.19629	2.0
478.22125	1.0
538.21387	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	538.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52385	0.6
52.11565	0.6
55.01858	1.2
55.05512	1.7
57.03440	7.1
57.07055	0.8
59.04992	1.9
60.04501	0.8
61.02917	1.0
61.41888	0.6
67.05512	4.7
68.45465	0.5
69.03434	18.8
69.07063	1.9
69.70469	1.4
69.70883	2.4
70.06599	1.0
70.99043	0.6
71.01348	0.6
71.04671	0.5
71.05002	4.8
73.02923	5.4
79.05485	3.9
81.03419	1.7
81.07044	2.5
83.04974	2.8
83.08647	1.3
85.02448	1.0
85.02915	15.2
85.06551	27.6
87.04473	11.1
90.13712	0.6
91.05452	2.9
93.07057	4.6
95.04970	16.8
95.08590	1.2
97.02896	17.9
97.06532	1.6
99.04448	4.9
99.08083	1.4
105.07064	5.3
107.04946	2.2
107.08600	6.4
109.02869	1.3
109.06509	3.4
109.10150	4.0
111.04476	3.0
115.03932	17.3
117.07030	1.0
119.08617	5.6
121.06499	2.7
121.10146	6.1
123.08099	1.7
125.05985	1.8
125.09636	0.8
126.21994	0.7
127.03925	2.3
129.07047	1.8
131.07610	1.2
131.08569	16.8
133.04028	1.1
133.04980	15.0
133.10153	6.1
135.08057	1.8
135.11676	1.1
135.80797	0.6
136.07530	0.8
137.09622	1.5
139.11165	3.7
143.08647	0.8
145.04964	2.2
145.10132	10.0
147.08049	2.1
147.11691	1.8
149.06018	0.8
149.09625	17.1
149.13246	1.1
150.07628	2.7
151.11188	2.0
153.09129	7.5
155.08499	0.6
163.03896	0.7
163.06039	0.6
163.07664	0.8
163.11182	6.1
163.14749	0.7
165.09129	4.2
167.10689	10.5
167.14368	1.3
173.09566	2.1
173.13313	3.9
175.14894	1.1
177.05545	1.0
191.10670	20.7
191.14299	7.2
197.11664	1.0
209.11768	25.2
209.15363	28.5
227.12802	100.0
227.16089	8.3
241.07246	0.8
295.10074	1.4
411.02960	0.7
541.24194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90836	0.6
53.03933	0.7
55.05497	2.3
56.62776	0.5
57.03440	7.5
57.07047	0.8
59.05008	0.9
61.02905	1.7
67.05495	1.4
69.03429	21.6
69.07043	2.8
69.55960	4.0
71.04983	2.4
73.02920	6.3
75.04435	0.6
79.05503	2.6
81.03414	1.7
81.07048	4.3
83.04977	1.9
83.08611	3.5
85.02906	19.9
85.06522	1.7
86.09702	0.7
87.04467	13.6
91.05459	2.9
93.07050	5.6
95.04968	21.5
95.08594	4.4
97.02895	22.0
97.06532	12.0
99.04439	5.8
99.08127	1.4
101.02354	0.6
103.03954	0.7
105.07032	6.5
107.04931	0.5
107.08601	8.7
109.02868	2.0
109.06515	15.6
109.10165	5.1
111.04445	0.6
111.08109	3.0
113.09645	1.1
115.03928	23.0
115.07572	1.4
119.08584	5.2
121.10143	10.6
123.04489	0.6
123.08064	4.1
123.11694	1.9
123.88145	0.6
125.06070	1.1
125.09641	1.1
127.03932	3.7
127.07579	1.1
127.08527	0.5
130.70906	0.6
131.08572	5.1
133.04970	23.6
133.10132	17.0
135.08069	4.1
135.11696	2.4
137.09666	1.2
139.07579	0.9
139.11162	1.6
145.04971	4.6
145.10118	1.6
147.04395	0.9
147.11685	16.4
149.09621	1.4
149.13289	4.2
151.11200	2.3
153.09105	15.1
158.10907	1.3
163.03862	0.7
163.06082	1.4
163.11226	1.5
163.14848	4.5
165.12747	5.6
171.10211	3.5
173.13260	11.4
177.05441	0.6
180.89746	0.6
191.14317	22.3
191.16093	1.1
195.27953	0.5
204.74342	0.7
207.13795	0.9
209.15367	55.1
223.06038	1.2
225.14861	2.2
227.16422	100.0
236.45770	0.6
241.07033	1.8
259.08188	3.2
277.09213	1.3
295.10229	2.6
387.19772	0.8
389.21680	4.7
448.16592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44612	1.0
53.03933	3.1
55.01858	1.1
55.05505	2.0
56.13608	1.1
57.03426	3.8
61.02923	1.4
65.03928	1.7
65.66520	1.1
67.05512	7.0
68.89673	1.3
69.03423	11.3
69.28374	7.8
70.06588	9.6
71.04993	16.5
72.08138	1.1
73.02924	2.0
79.05471	4.6
81.03424	8.0
81.07051	1.6
83.04953	5.0
84.08112	1.2
85.02907	15.3
85.06532	7.4
86.09697	1.4
87.04484	1.9
89.03906	1.7
89.06031	100.0
91.05482	30.1
93.07047	1.9
95.04974	8.5
97.02297	1.9
97.02892	34.4
98.97571	3.4
99.04443	5.0
103.05402	1.8
105.07025	3.6
107.04920	1.5
107.08604	2.0
109.02876	11.1
109.60624	1.1
111.04429	4.1
115.03978	5.6
117.03355	3.8
118.04235	1.2
119.04127	1.8
119.04942	35.9
119.08603	2.4
121.06484	2.7
123.04419	4.7
127.03908	12.4
129.03366	3.5
129.05406	1.4
131.08553	6.8
133.04961	4.2
133.06474	3.2
135.04391	1.8
135.06532	29.5
137.06013	1.5
145.02856	10.9
145.04947	14.6
145.10054	2.0
147.04410	43.6
149.05963	3.5
149.09627	3.7
161.06027	5.9
163.03912	11.4
165.05455	2.1
166.05017	2.2
167.06992	1.9
167.10631	1.5
173.13228	1.5
175.03908	33.9
177.03909	1.4
177.05464	30.0
178.04881	5.4
179.07077	5.4
189.05469	35.3
191.10667	4.4
191.14363	1.9
193.04979	13.2
197.08125	2.2
197.11615	1.3
206.04457	6.5
207.06523	43.1
209.11702	6.2
215.09045	2.1
225.07555	20.3
227.10532	2.1
227.12794	22.2
230.36847	1.1
237.02921	1.6
243.08624	3.1
261.09653	10.7
279.10837	6.9
279.13516	1.7
289.08963	1.2
291.10706	3.6
295.11572	1.6
298.55707	1.2
328.08179	1.7
339.10751	3.3
361.09891	1.5
435.12732	2.8
453.13965	3.3
467.15292	4.2
485.16760	2.1
527.54999	1.4
538.17712	4.5
538.28687	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	537.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
55.01856	1.8
55.05515	19.7
57.03440	13.3
57.07079	37.4
59.06123	1.6
62.39183	1.6
63.04118	1.8
63.91375	1.7
65.03951	1.8
67.05508	51.9
69.07070	13.3
71.04971	3.1
71.08288	2.4
71.08633	26.6
71.87427	1.5
73.06536	1.9
79.05496	64.9
81.03406	7.6
81.07060	42.9
83.04987	12.3
83.08629	16.3
85.06525	3.3
85.09711	2.3
85.10180	15.8
91.05483	51.3
92.05549	1.6
92.33867	1.7
93.07043	57.9
95.04961	15.8
95.08617	39.0
97.06519	4.0
97.10171	8.2
103.25642	1.6
105.07040	33.3
107.04954	4.2
107.08620	15.8
109.06509	3.3
109.10168	12.6
111.11716	1.8
117.07013	4.2
119.08578	18.3
121.10117	3.9
123.08079	4.1
123.11707	3.2
128.06227	3.2
129.06995	11.9
133.10135	10.1
135.11700	2.2
143.08539	7.0
145.10136	8.5
147.08051	1.7
147.11684	35.1
161.09579	3.3
161.13235	10.7
171.11708	25.6
189.12709	8.4
207.13811	28.2
232.32672	1.8
239.23694	3.8
281.17484	61.8
281.26303	1.5
281.29483	10.1
282.27905	31.7
299.30557	6.2
313.27374	73.9
442.16513	1.9
519.40497	100.0
537.53528	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	537.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.8
53.04143	1.5
55.01868	2.0
55.05515	20.7
56.45309	1.5
57.03441	10.7
57.07082	34.6
65.03944	2.7
67.05508	48.1
69.07063	17.5
69.22894	1.9
71.04979	2.4
71.08291	2.3
71.08636	25.3
71.55921	3.1
77.03956	1.8
78.00548	1.5
79.05496	58.4
81.03397	7.1
81.07059	44.9
83.04974	10.3
83.08627	13.6
85.02863	1.8
85.06536	2.6
85.10189	13.6
91.05479	43.0
93.06489	3.1
93.07047	54.2
95.04982	12.8
95.08067	2.5
95.08613	33.5
97.06503	2.4
97.10152	7.8
98.06171	1.8
101.76669	1.7
104.84965	1.6
105.04519	2.1
105.07038	32.4
107.04948	5.0
107.08601	10.0
109.06479	3.1
109.10164	12.4
117.06994	6.9
119.08594	19.5
121.10145	4.5
121.73261	1.7
123.08054	3.7
123.11742	3.0
129.07002	12.6
131.08606	2.4
133.10138	7.4
143.08569	8.4
145.10130	7.1
147.11694	30.4
161.09599	4.4
161.13277	10.6
171.11694	25.1
176.16638	1.8
189.12776	8.4
207.13809	28.2
239.23666	3.1
245.91473	2.0
281.17465	54.2
281.22144	2.2
313.27383	75.1
358.96371	1.7
393.32547	1.9
399.68469	1.8
435.18628	1.8
494.75626	2.1
519.40497	100.0
537.37250	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	537.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.05515	2.8
57.03436	2.7
61.02904	1.3
65.51362	1.0
67.05525	2.2
69.03431	15.3
70.67229	1.5
70.67575	2.4
71.04980	1.9
73.02902	1.9
75.04491	6.0
77.03909	1.8
79.05068	1.6
79.05497	19.4
81.03418	15.7
81.07068	4.6
83.04990	1.8
85.02906	10.4
91.05489	21.7
93.07048	74.2
95.04977	3.3
95.08633	3.1
96.71989	1.0
97.02894	10.8
97.06532	2.2
99.04468	3.1
103.05485	2.6
105.04580	1.2
105.07034	16.1
107.04977	3.1
107.08603	11.3
109.02882	7.4
109.06587	1.7
111.04446	3.0
111.08087	2.5
116.06205	1.8
119.08596	23.3
120.05712	1.2
121.06519	3.8
121.10149	100.0
121.66893	1.0
123.08076	3.1
127.03928	4.8
129.07024	1.4
131.08566	10.1
133.07658	1.1
133.10133	3.8
135.04419	4.9
136.65205	1.0
137.05992	1.7
137.09634	2.1
139.11189	3.5
145.02878	3.2
145.04991	3.4
147.04411	2.7
149.09627	62.8
157.10220	1.2
163.03925	7.5
164.25784	1.2
167.10692	18.3
168.04222	2.5
173.02425	1.0
175.11266	1.6
177.05531	1.9
183.06514	4.3
191.03397	3.9
209.04422	6.7
240.59435	1.0
245.11916	1.1
254.92152	1.1
259.09705	1.9
263.35266	1.2
293.13873	10.7
311.15002	10.3
345.09686	2.4
438.51498	1.4
537.19275	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	536.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00500	1.6
51.56240	1.6
52.72164	1.7
55.05513	36.0
57.03429	6.4
57.07079	16.5
61.02924	4.4
67.05505	44.2
69.03423	2.3
69.07072	53.5
69.76685	6.7
69.77097	4.0
71.04996	3.2
71.08627	13.5
75.04477	3.4
78.36195	1.6
79.05495	16.6
79.32465	1.7
81.07059	45.8
83.08619	40.1
85.02905	4.0
85.06543	3.0
85.10183	7.1
88.07645	2.4
91.03953	2.2
91.05487	2.0
92.16810	2.2
93.07042	19.7
95.08611	53.6
97.02895	2.9
97.06522	5.0
97.10168	25.9
98.20764	3.6
99.08102	3.0
104.10763	2.3
107.08587	12.7
109.10151	28.5
109.65668	1.7
111.08099	4.8
111.11733	9.8
121.10146	31.5
123.11716	11.0
125.09667	3.2
125.13309	2.7
135.11699	28.7
137.13226	4.1
139.11206	2.3
149.13257	15.1
151.14821	4.9
163.14815	4.1
165.16377	4.4
167.14363	2.6
177.16437	3.5
213.18666	1.8
221.68646	1.9
247.24225	36.7
263.58282	1.9
265.25275	97.6
283.26309	14.8
299.06097	2.1
326.29416	1.9
339.28931	100.0
357.29990	38.5
373.27560	2.0
403.09879	2.0
409.29230	2.2
536.32617	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	29.3
56.88877	2.9
57.03426	9.4
57.07072	19.5
60.08158	5.1
61.02930	6.9
67.05238	3.1
67.05508	35.4
69.06727	5.3
69.07071	45.4
69.76205	19.7
71.08621	11.1
79.05490	17.7
81.07052	48.7
83.08614	36.4
85.02899	4.4
85.06595	3.4
85.10197	5.3
86.09692	22.2
93.07043	30.6
95.08611	38.5
97.06524	8.0
97.10172	27.1
104.10735	38.1
105.07018	4.3
107.08595	19.8
109.10168	24.5
111.08029	5.0
111.11709	6.3
121.10142	35.7
123.11674	7.6
124.99995	12.6
135.11700	26.9
137.13263	3.5
139.11153	3.7
149.13286	15.1
163.14859	4.2
165.16386	5.0
184.07347	48.1
247.24220	36.3
252.12231	3.5
265.25272	84.4
283.26328	22.7
299.06265	3.9
339.28931	100.0
357.30032	31.8
408.13150	3.4
429.79907	3.1
472.11734	3.4
495.32901	5.8
501.34525	8.1
513.34149	13.7
518.35785	4.2
535.79468	3.8
536.37048	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	535.2882
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.01874	0.3
55.05497	0.6
56.73223	0.3
57.03447	0.7
67.05509	1.1
69.90199	1.1
71.04968	0.3
79.05488	1.1
81.03422	1.7
81.07068	1.2
83.04988	0.6
83.08617	0.7
85.02908	2.1
91.05495	1.4
93.07061	0.7
95.04977	1.1
95.08626	0.5
97.06547	0.4
99.90001	0.2
105.07024	1.2
107.04926	0.4
107.08627	0.5
109.10175	0.4
111.08099	0.3
119.08562	1.3
121.10162	0.6
123.08117	0.3
125.00031	0.3
129.07013	0.5
131.08606	0.7
133.10138	0.5
145.10138	0.3
147.11694	0.8
157.10178	0.7
157.13237	0.2
166.36661	0.2
175.11166	0.4
184.07376	1.2
185.07764	0.2
193.12265	0.4
211.13390	0.3
251.12561	7.1
276.13171	0.3
285.17038	0.8
307.15164	5.9
535.28821	100.0
536.29242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
55.05497	0.6
56.73223	0.3
57.03447	0.7
67.05509	1.1
69.90199	1.1
71.04968	0.3
79.05488	1.1
81.03422	1.7
81.07068	1.2
83.04988	0.6
83.08617	0.7
85.02908	2.1
91.05495	1.4
93.07061	0.7
95.04977	1.1
95.08626	0.5
97.06547	0.4
99.90001	0.2
105.07024	1.2
107.04926	0.4
107.08627	0.5
109.10175	0.4
111.08099	0.3
119.08562	1.3
121.10162	0.6
123.08117	0.3
125.00031	0.3
129.07013	0.5
131.08606	0.7
133.10138	0.5
145.10138	0.3
147.11694	0.8
157.10178	0.7
157.13237	0.2
166.36661	0.2
175.11166	0.4
184.07376	1.2
185.07764	0.2
193.12265	0.4
211.13390	0.3
251.12561	7.1
276.13171	0.3
285.17038	0.8
307.15164	5.9
535.28821	100.0
536.29242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2157
Annotation	Thr Tyr His Asp
Peak:m/z	Relative Intensity
53.03944	0.9
54.03985	0.6
56.96569	1.3
59.05014	0.7
65.03919	0.5
69.03410	1.4
69.07057	0.6
70.06583	0.6
71.05007	0.5
71.54623	0.6
71.54988	0.9
71.77780	0.6
79.05495	0.9
79.71948	0.6
81.03400	1.7
81.07053	1.3
85.02906	1.7
85.06554	0.6
89.03938	1.0
91.05494	3.4
93.07039	1.3
95.04956	1.0
95.08633	0.9
97.02869	1.5
97.06495	0.8
98.97587	1.5
103.05447	1.2
105.07044	1.2
105.57070	0.6
107.08627	1.2
109.02899	1.1
109.10153	1.4
111.04449	0.8
117.03391	1.8
119.04954	4.0
119.08629	1.2
120.08069	0.9
121.10145	1.1
127.03926	0.7
131.04910	1.6
133.10132	1.0
135.04402	0.6
135.08141	0.5
135.11641	1.1
137.05977	1.9
137.09636	1.0
145.02841	5.1
145.04828	0.7
147.04417	23.9
147.08119	0.5
147.11693	1.0
149.05948	0.7
149.09657	0.9
157.10117	0.6
163.03902	0.9
163.07515	3.6
165.05495	0.9
165.12868	0.6
175.14847	0.8
177.00681	0.6
177.05472	10.7
181.04973	1.0
193.15793	0.6
209.15309	0.8
211.16943	1.5
281.11621	1.0
281.61545	0.9
282.11978	0.7
285.10025	0.8
309.09610	1.2
317.06583	0.6
339.10971	0.7
391.70401	0.5
485.16830	0.7
517.22620	1.6
535.21503	100.0
536.21521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03427	1.3
61.02916	0.9
65.01162	0.9
65.03938	1.1
69.03423	3.1
70.67302	1.9
75.03188	1.0
78.71489	1.1
79.05486	1.1
81.03395	1.0
82.99837	2.1
85.02918	6.3
91.05478	8.0
94.28917	0.9
95.04951	1.0
97.02881	3.1
98.95352	0.9
101.00880	20.0
104.20131	0.8
107.04948	1.4
109.02841	1.3
113.54397	1.0
115.02417	2.4
119.01929	23.2
119.04923	10.0
123.04432	1.5
125.02352	1.3
127.02398	3.1
127.03896	3.5
129.03296	2.3
129.31070	1.0
131.01913	2.5
133.03444	3.2
133.06471	1.5
134.03497	1.0
137.02956	1.4
139.02403	4.0
143.01892	19.2
145.03442	6.7
145.04904	2.1
147.04407	14.6
150.53052	0.9
155.01862	1.0
157.02257	1.7
157.03476	28.2
159.03235	0.8
159.05005	1.2
161.02971	13.4
161.05800	3.3
161.55621	1.6
163.04480	4.0
165.05478	3.0
169.03424	1.1
171.01389	1.3
171.04968	0.9
173.02905	2.1
175.04601	10.9
177.05553	1.1
179.07047	2.1
181.05565	1.8
185.03059	1.0
186.96130	1.0
187.04471	2.1
189.02573	1.2
189.04008	0.8
189.05511	12.8
193.04944	3.3
203.04050	4.5
205.05615	15.6
207.06561	11.9
211.06171	1.9
221.05421	1.3
223.06641	61.3
225.07674	6.7
229.01927	1.2
231.03481	2.2
241.07707	13.1
242.08154	2.0
242.58247	2.2
245.05026	1.8
246.08156	1.3
247.02760	1.8
247.06732	1.6
249.08212	2.0
251.08617	3.4
251.58743	3.6
252.08902	1.4
253.01363	1.0
257.02890	2.5
263.06088	1.9
265.05637	1.6
265.07724	24.3
275.03903	1.4
277.07703	27.7
279.06271	1.3
279.09225	4.2
289.03897	1.7
291.09387	1.0
293.07339	1.4
303.05515	2.1
307.06400	2.0
321.06668	7.3
321.09918	1.4
322.10443	1.8
335.08273	7.0
349.06631	2.9
353.09302	100.0
355.08932	1.5
387.13477	41.2
427.10599	1.4
445.11914	1.2
487.12592	2.3
535.17590	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1086
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03949	1.7
55.01876	1.7
57.03437	1.0
61.02930	1.0
65.03951	0.1
67.01849	0.2
68.99791	1.3
69.03434	6.3
69.22871	1.2
71.01363	0.2
71.04996	0.7
73.02922	1.3
79.05508	0.2
81.03423	7.4
83.01305	0.2
85.02909	10.8
87.00835	5.1
87.04466	0.2
91.03970	0.3
94.95739	0.1
97.02304	0.2
97.02898	3.5
98.20721	0.2
99.04462	2.4
100.11240	0.2
105.01869	2.6
105.03373	0.2
107.04956	0.2
109.02885	6.2
111.00832	0.7
117.01858	1.0
121.02879	2.4
123.00748	0.1
127.03922	8.9
129.01846	0.8
129.06999	0.2
131.23056	0.1
133.02853	0.5
137.02328	0.7
139.44713	0.1
144.29166	0.1
145.04962	2.8
145.06122	0.1
147.02898	0.5
147.04404	0.4
153.01852	3.2
157.06479	0.4
159.02902	4.2
161.05951	0.2
165.01836	1.5
171.04301	0.1
177.03938	0.2
177.05412	0.2
183.02910	0.7
185.06004	0.3
189.05415	0.2
199.03864	0.2
203.03365	0.1
205.00919	0.1
213.03850	0.2
213.05498	1.3
229.04764	0.1
231.04694	1.1
231.06908	0.3
241.04993	0.7
258.05328	0.9
259.06064	0.3
269.04388	0.3
270.05145	0.1
282.67703	0.1
287.05502	100.0
288.05804	0.5
321.23300	0.1
329.06601	0.4
376.52612	0.1
455.72226	0.1
478.24203	0.1
535.21545	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01861	0.8
55.05494	0.2
56.53835	0.2
56.96584	0.2
57.03426	0.8
60.08152	0.5
61.02913	1.0
67.05501	0.5
68.99785	0.8
69.03432	6.5
69.07064	0.3
69.30363	2.0
70.06599	0.4
71.04983	1.0
72.08141	0.3
73.02898	0.9
79.05484	0.8
81.03419	5.0
81.07041	0.7
83.01337	0.4
83.04998	0.4
85.02911	7.1
86.09686	1.1
87.00831	2.8
91.05487	1.5
93.03410	0.2
93.07055	1.5
95.04971	0.4
95.08611	0.4
97.02893	10.1
97.06528	0.5
98.21573	0.5
98.97582	0.3
99.04459	2.5
103.00878	0.3
105.01861	1.2
105.03377	0.5
105.07050	0.5
107.04939	0.9
107.08567	0.5
109.02886	3.6
109.06515	0.3
109.10146	0.5
111.00789	0.7
111.04438	0.4
111.08059	0.3
115.03864	0.3
116.50800	0.2
117.03350	0.3
117.07003	0.5
119.04951	0.4
119.07216	0.3
119.08565	0.9
121.02883	2.4
121.06543	0.2
121.10167	1.2
127.03920	5.4
131.08546	0.4
133.02866	0.6
133.06532	0.3
133.10039	0.3
135.04382	0.4
136.06166	0.6
137.02319	0.6
137.05952	0.5
137.09624	0.3
145.02834	0.6
145.04962	4.9
145.06154	0.4
145.10052	0.3
147.04405	2.5
149.09662	0.4
153.01833	3.7
157.06465	0.5
159.02904	1.2
161.01265	0.3
161.05984	0.3
163.03912	0.4
165.01863	1.7
165.05498	0.3
167.07040	0.4
167.10745	0.4
171.04449	0.3
177.05464	1.8
181.04961	0.7
183.02902	0.7
185.05861	0.3
189.05521	0.6
193.05045	0.4
197.05942	0.3
207.06473	0.3
213.05536	1.4
215.07062	0.3
217.04980	0.3
231.04851	0.4
241.04953	1.1
258.05246	1.0
287.05502	100.0
288.05896	0.3
311.12677	0.4
407.27094	0.2
431.18900	1.6
456.27985	0.3
497.12549	0.3
534.37219	1.0
535.23175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01878	1.4
55.05269	1.7
55.05514	20.4
57.03431	6.8
57.07077	9.8
61.02925	4.4
65.03928	1.4
67.05505	71.1
69.03419	1.5
69.07071	27.8
69.12879	0.9
70.16434	3.3
70.16766	1.0
71.05009	1.4
71.08626	6.8
73.02905	1.2
75.04443	1.2
77.88660	0.9
79.05492	19.0
81.07058	90.2
83.04990	2.2
83.08620	20.7
85.02904	4.6
85.06536	2.4
85.10176	3.1
86.09715	1.5
88.07629	1.1
91.03973	2.3
91.05473	13.2
91.67059	0.9
93.07046	23.5
95.04996	1.7
95.08607	76.3
97.02871	2.5
97.06533	5.6
97.10172	12.6
98.21751	0.9
99.08106	4.3
104.10726	3.5
105.07037	11.4
107.08599	14.6
109.06519	1.0
109.10156	41.5
111.08080	4.0
111.11708	3.9
113.09664	2.3
119.08582	12.4
121.10146	23.3
123.08031	1.5
123.11710	21.7
125.09651	2.3
125.13280	1.5
127.11209	1.9
129.09125	1.1
133.10133	18.0
135.11700	13.6
137.09633	2.3
137.13249	8.2
141.12755	4.3
147.11673	10.4
149.13268	13.0
151.11118	1.5
151.14832	8.0
153.12732	1.5
155.14355	4.6
161.13240	14.2
163.14819	12.4
165.12761	2.6
165.16385	12.4
167.14458	1.2
175.14819	10.4
177.16422	3.2
179.14247	2.1
179.17955	9.2
181.15884	2.0
184.07310	1.3
189.16333	6.5
193.16013	1.0
203.17929	1.8
217.19521	2.0
245.22661	76.6
263.23700	100.0
265.25153	1.5
281.24927	2.3
337.27371	74.5
355.28394	6.4
426.71262	1.0
481.31305	1.5
499.32697	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2723
Annotation	Roridin A
Peak:m/z	Relative Intensity
55.05495	0.9
57.03420	1.0
58.22697	0.3
59.05014	0.3
66.72852	0.2
67.05501	1.9
69.07065	0.8
71.12379	0.6
79.05495	1.5
81.03413	1.4
81.07063	1.8
83.01328	0.3
83.04964	0.8
83.08611	0.8
85.02893	0.7
86.95132	0.3
91.05477	1.9
93.07040	2.2
95.04961	1.0
95.08601	1.5
99.04432	0.3
104.10787	0.3
105.07044	1.4
107.04959	0.6
107.08604	0.9
108.57378	0.3
109.06521	0.6
109.10135	0.5
117.07038	0.7
119.08597	1.4
121.10141	0.8
123.08095	0.6
131.08597	0.7
133.10164	0.5
145.10107	1.1
147.11705	0.5
157.10095	0.6
163.11194	1.0
173.13358	0.4
193.12297	0.6
249.10989	2.1
251.12521	4.6
283.15466	0.7
285.16669	0.3
295.19354	0.4
305.13654	2.2
307.15176	4.5
309.68515	0.3
357.07614	0.3
399.24356	0.5
462.29807	0.3
533.27203	100.0
534.27527	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	534.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.05516	0.4
57.03440	0.3
69.03433	0.5
70.19476	0.6
70.19827	0.9
79.05509	1.6
81.03414	0.6
81.07055	0.4
83.04991	0.3
85.02898	0.9
91.05470	1.4
93.07040	4.7
95.04972	0.6
95.55595	0.3
97.02886	0.5
105.03477	0.4
105.07035	1.2
107.08598	0.7
108.45783	0.3
110.07034	0.3
113.06027	0.7
113.69682	0.2
118.37018	0.3
119.04952	0.2
121.06484	0.4
121.10140	6.1
127.03932	0.3
131.08583	0.4
132.04443	0.8
132.51215	0.3
133.10109	0.7
134.10522	0.5
137.09663	0.4
138.10016	0.3
146.26581	0.3
147.04404	0.5
149.09616	12.1
150.05482	0.5
160.03949	0.9
162.99388	0.3
163.03915	0.5
178.04991	77.7
179.05360	0.4
191.14218	0.3
192.14655	0.4
200.68138	0.3
201.06638	0.3
206.04482	100.0
207.04759	0.4
236.68915	0.3
246.14912	0.6
293.13788	0.3
303.04800	0.5
312.51541	0.3
368.09747	3.9
377.01584	0.5
381.35715	0.4
498.17078	0.4
516.18677	14.5
516.26282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
54.31215	0.5
55.01861	2.8
55.05507	1.7
57.03441	6.7
59.04999	0.8
61.02926	9.7
65.03948	0.6
67.05494	2.1
69.03431	31.1
69.07068	8.9
71.04999	4.5
71.25266	1.0
71.25591	0.6
73.02910	2.7
79.05502	3.5
81.03419	13.3
81.07078	4.1
83.01349	1.5
83.04969	1.8
83.08608	2.5
85.02906	100.0
87.04469	3.9
90.66525	0.6
91.03955	4.8
91.05477	4.0
93.07050	4.9
95.04977	6.5
95.08606	4.4
97.02895	34.1
97.06519	5.6
99.04455	7.0
103.03951	0.9
105.07037	4.1
107.04990	1.0
107.08604	6.6
109.02879	11.5
109.06512	5.5
109.10170	2.1
111.04436	1.0
114.12822	1.8
115.03967	1.5
119.04941	1.3
119.08573	4.0
121.05769	0.7
121.06509	3.4
121.10181	3.4
122.07297	4.6
123.08068	21.1
123.11749	1.3
127.00613	0.6
127.03919	27.3
129.07022	0.7
131.08591	1.9
133.10133	7.1
135.04459	0.6
135.08057	32.3
135.11668	3.6
136.95772	0.7
137.05978	0.9
137.09616	1.7
145.04962	39.7
145.10138	1.2
147.04416	11.2
147.11662	3.5
149.09616	2.4
149.13319	1.0
159.04326	0.6
161.08092	0.6
161.09541	0.9
163.03882	1.2
163.06020	7.1
163.11258	0.8
163.14822	1.4
165.12752	21.0
167.07118	0.7
171.06577	2.1
173.13342	1.3
173.15752	0.7
174.96176	0.6
175.14845	3.8
176.11969	3.3
177.12720	1.0
189.07600	3.0
191.14310	92.0
193.15895	11.7
207.13818	4.4
209.15372	16.1
259.09619	1.9
309.17014	1.1
333.53952	0.7
335.18430	0.9
353.19595	3.9
358.51846	0.6
371.10837	0.8
371.20648	11.8
386.36298	0.6
415.40060	0.6
533.25995	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.2
53.22076	0.2
55.05478	0.4
56.96545	0.2
57.03407	0.7
57.07072	1.6
67.05467	0.9
69.03400	0.5
69.07026	0.4
73.02864	0.8
79.05441	0.8
81.03374	1.1
81.06989	0.7
85.02900	1.3
85.06508	0.5
91.05464	0.6
91.70667	0.2
93.07008	0.7
95.04940	0.5
95.08579	0.6
97.02853	0.7
97.06477	0.8
98.97478	0.3
101.02325	0.2
105.06966	0.7
107.04891	0.3
107.08582	0.6
109.02855	0.5
109.10096	0.5
111.04353	0.3
116.98557	0.3
117.06956	0.2
119.00401	0.2
119.08584	0.4
127.03924	0.4
129.06937	0.3
131.08554	0.3
133.10120	0.3
134.98216	0.3
135.04393	0.4
135.07988	0.3
135.11668	0.4
137.05972	0.3
139.62079	0.3
143.08513	0.4
145.06493	0.5
145.10065	0.5
147.04382	0.3
149.05850	0.3
153.01784	0.5
163.03859	0.6
163.11147	0.3
169.04634	0.3
173.04224	0.3
177.05455	0.3
189.05432	0.3
203.07011	0.3
215.07077	0.3
259.09702	0.8
275.07257	0.7
287.05502	7.2
313.16345	1.8
317.08340	1.4
333.07574	0.4
335.09500	4.1
371.11444	0.3
401.21457	0.9
411.12289	0.3
421.25699	1.1
429.12393	0.3
445.20453	35.5
533.25690	100.0
534.26202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81100	0.4
55.01864	1.8
55.05497	0.8
56.96563	0.7
57.03435	1.2
61.01160	2.2
65.03949	0.5
67.05507	1.3
68.99799	2.8
69.03429	2.3
69.07066	1.1
70.06599	0.5
71.01348	0.7
71.04980	2.0
72.04515	3.6
73.02907	0.9
75.04490	0.4
78.03796	2.9
79.05486	1.3
81.03409	1.4
81.07067	6.1
82.07393	1.1
82.21045	0.6
83.04962	0.7
83.08605	0.5
85.02913	5.6
85.06540	0.9
86.06066	1.1
88.02225	2.8
91.05476	1.5
93.07065	1.2
95.04971	1.6
95.08599	1.3
97.02919	3.0
97.06527	2.0
98.06048	1.1
99.05586	1.5
99.08115	0.6
102.03768	4.8
105.07037	1.6
107.04947	0.8
107.08597	1.6
109.02872	1.7
109.06509	0.7
109.10173	1.5
111.04490	0.6
113.06010	0.6
114.03734	1.3
115.03897	0.6
115.08707	1.8
117.04830	0.5
117.07010	0.7
117.09138	1.4
119.04926	1.3
119.08589	1.7
121.06495	0.7
121.10137	1.5
123.04426	0.7
123.08057	1.2
123.11764	0.7
124.07642	0.5
127.03922	1.8
128.06268	0.6
129.05501	0.6
129.07008	2.7
130.08691	0.5
131.04872	0.6
131.06389	2.8
131.08549	1.4
132.04803	4.5
133.02875	0.8
133.10181	0.7
135.04405	0.5
135.08099	1.5
135.11685	0.8
141.06998	0.8
142.08632	2.1
143.08530	1.3
145.02823	1.0
145.04941	1.6
145.10097	1.0
147.04440	3.4
147.11740	0.6
149.07451	24.1
149.09453	1.0
152.06171	1.1
153.06992	4.6
155.08540	0.7
157.06520	6.5
159.05887	2.0
159.08000	0.5
163.03874	1.5
163.11237	0.5
165.06996	1.0
165.12724	0.8
167.07004	0.9
167.08571	0.5
169.06502	1.0
171.04491	0.7
171.08046	2.2
173.02307	1.1
173.13292	0.7
175.05219	0.7
177.05473	1.1
178.04982	3.0
181.05128	0.5
181.06499	12.8
184.05208	0.5
184.09761	1.4
185.05994	4.1
187.07513	1.8
191.14296	4.4
199.07556	7.5
209.05930	3.6
209.15395	1.9
210.06685	0.7
213.05482	7.2
227.07047	14.5
237.03217	0.7
237.05409	2.5
243.11493	0.9
247.45833	0.5
255.06543	100.0
259.09644	1.3
261.12708	29.1
284.09268	2.6
326.06583	0.8
326.10248	10.7
345.22174	0.5
403.13336	4.4
411.14728	0.5
515.18506	4.1
533.26074	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	531.3682
Annotation	Rubianol b
Peak:m/z	Relative Intensity
53.03932	4.6
55.01860	4.5
55.05518	21.7
57.03430	6.8
57.07077	2.1
65.03923	6.5
67.05509	97.8
69.03425	3.3
69.07079	23.0
70.06560	1.7
71.04996	7.1
71.24911	1.3
71.55843	1.6
73.06556	1.7
79.05497	61.2
81.03399	5.1
81.07062	86.1
83.04996	11.3
83.08632	8.7
85.06560	7.4
91.05489	61.7
91.37191	1.3
93.07050	64.4
94.07388	1.7
94.07914	1.4
95.04948	6.6
95.08613	37.0
97.06528	6.8
97.10162	5.9
99.04454	2.7
105.07032	54.6
107.04952	1.7
107.08596	53.4
109.06535	8.9
109.10162	74.3
111.08076	2.4
113.06007	4.8
117.06996	8.4
119.08589	14.8
121.10167	17.9
123.08014	2.1
123.11724	14.2
125.09642	3.8
127.07559	4.4
128.06235	1.6
129.07062	2.4
131.08560	15.5
133.10139	82.1
135.11676	13.7
137.09547	1.6
137.16136	1.6
143.08517	1.9
145.10141	11.1
147.11679	6.3
149.13277	6.9
151.11197	46.2
159.11690	8.3
161.09561	2.2
161.13274	4.2
163.14815	2.9
169.12238	11.2
171.11722	2.4
173.13304	7.2
179.10710	2.1
182.53308	1.5
185.13231	1.9
187.14835	3.6
195.00340	5.0
201.16513	1.6
215.12830	6.1
229.14397	2.8
243.21071	5.1
253.14369	92.7
259.20572	2.1
261.22125	22.6
271.15323	2.7
315.23233	2.2
317.24792	5.3
421.31088	2.5
439.32034	5.4
457.33005	5.3
496.29492	2.3
513.35724	15.6
531.36810	100.0
532.78522	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
55.05505	0.7
55.44742	0.3
57.03410	0.4
58.85194	0.3
65.59730	0.3
67.05503	1.0
69.03426	0.4
69.07074	0.5
69.56470	0.3
70.66730	0.4
70.67056	0.6
79.05505	0.8
81.03426	0.7
81.07066	0.9
83.08623	0.5
85.02907	0.6
91.05466	0.8
93.07046	0.8
95.04954	0.5
95.08612	1.0
97.02895	0.8
97.06500	0.5
105.07033	0.9
107.08604	0.9
109.02877	0.8
109.10188	0.5
117.06951	0.3
119.04995	0.4
119.08572	0.8
121.06544	0.6
121.10176	0.7
123.08091	0.3
125.09678	0.5
131.08559	0.5
133.10149	0.4
141.06940	0.4
145.10161	0.3
147.04407	0.5
147.11732	0.5
159.04524	0.3
161.04845	0.3
161.06039	1.3
163.03868	0.8
171.54448	0.3
175.03911	0.5
177.05534	0.5
189.05481	0.4
189.11168	0.4
201.16336	0.4
203.05327	0.8
219.17407	0.6
267.34201	0.3
273.14972	0.4
289.14279	1.5
327.16144	0.3
345.17075	0.6
351.28958	0.4
369.29666	0.5
402.86938	0.3
439.24576	0.8
508.11996	0.4
513.28516	1.0
513.34869	0.5
531.35065	100.0
532.35577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
55.05505	0.7
55.44742	0.3
57.03410	0.4
58.85194	0.3
65.59730	0.3
67.05503	1.0
69.03426	0.4
69.07074	0.5
69.56470	0.3
70.66730	0.4
70.67056	0.6
79.05505	0.8
81.03426	0.7
81.07066	0.9
83.08623	0.5
85.02907	0.6
91.05466	0.8
93.07046	0.8
95.04954	0.5
95.08612	1.0
97.02895	0.8
97.06500	0.5
105.07033	0.9
107.08604	0.9
109.02877	0.8
109.10188	0.5
117.06951	0.3
119.04995	0.4
119.08572	0.8
121.06544	0.6
121.10176	0.7
123.08091	0.3
125.09678	0.5
131.08559	0.5
133.10149	0.4
141.06940	0.4
145.10161	0.3
147.04407	0.5
147.11732	0.5
159.04524	0.3
161.04845	0.3
161.06039	1.3
163.03868	0.8
171.54448	0.3
175.03911	0.5
177.05534	0.5
189.05481	0.4
189.11168	0.4
201.16336	0.4
203.05327	0.8
219.17407	0.6
267.34201	0.3
273.14972	0.4
289.14279	1.5
327.16144	0.3
345.17075	0.6
351.28958	0.4
369.29666	0.5
402.86938	0.3
439.24576	0.8
508.11996	0.4
513.28516	1.0
513.34869	0.5
531.35065	100.0
532.35577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01871	2.5
55.05299	1.1
55.05516	10.1
57.03429	3.7
67.05176	1.9
67.05508	23.0
69.03419	1.6
69.07072	8.0
70.16666	1.9
70.17053	2.6
71.04993	2.2
71.08633	17.4
79.05065	1.9
79.05493	22.4
81.02962	1.1
81.03407	5.1
81.07058	25.9
83.04965	5.6
83.08627	7.3
85.02876	1.5
91.05482	15.8
92.72740	1.2
93.07045	28.4
95.04967	5.4
95.08609	17.0
97.02902	2.3
97.06532	4.7
97.10172	2.8
98.20761	1.5
99.08089	11.9
105.07039	12.0
107.04967	6.6
107.08598	16.4
108.08923	1.1
109.02934	1.3
109.06495	2.0
109.10169	8.4
111.04448	1.2
111.08070	2.3
117.07019	4.0
119.08586	10.4
121.06485	1.8
121.10141	12.7
123.08066	2.6
123.11742	1.9
125.09613	1.4
129.06973	1.9
131.08568	4.8
133.10127	8.7
135.08026	1.6
135.11699	19.2
137.09608	2.1
141.09134	1.8
143.08546	2.8
145.10117	6.0
147.11690	3.4
149.13260	4.1
149.65341	1.1
151.11200	6.3
157.10098	1.2
159.11691	3.3
161.13266	6.3
163.11177	6.0
163.14749	1.6
167.10719	1.1
170.62280	1.2
171.11713	2.7
173.11803	1.3
173.13268	2.2
177.12778	2.7
179.14308	40.8
185.13335	1.9
189.12694	1.7
195.13812	1.2
212.56070	1.1
221.15291	1.6
227.12796	1.8
235.16824	1.9
249.10983	19.9
259.20499	1.8
277.21640	31.1
283.15463	1.2
289.07562	1.2
305.13651	8.9
351.25305	97.9
352.25632	2.2
359.16797	13.6
385.86993	1.2
489.24768	1.5
489.31436	1.5
531.25592	100.0
531.35681	3.6
532.25476	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2569
Annotation	Roridin D
Peak:m/z	Relative Intensity
51.25664	0.5
55.01856	0.7
55.05508	1.6
57.03418	0.6
57.75510	0.6
58.06617	0.8
64.81841	0.6
67.05497	2.8
69.07076	1.1
69.83017	1.7
69.83407	1.1
70.06599	0.8
71.99964	0.6
79.05486	2.8
81.03422	1.6
81.07056	2.4
83.08611	1.1
91.05468	2.2
93.07054	2.5
95.04980	0.8
95.08614	0.9
105.07033	1.6
107.08600	1.5
109.10157	1.3
117.81924	0.6
119.08575	3.9
121.10111	1.0
131.08563	0.9
133.10233	0.8
135.11694	0.9
138.01071	0.7
145.10135	1.7
163.11189	1.5
189.05530	1.3
249.11049	4.4
261.44333	0.7
262.46014	0.7
265.90683	0.6
277.21613	0.8
283.15421	1.5
305.13632	7.0
351.25052	1.0
498.07184	0.8
530.84631	0.9
531.25659	100.0
532.26324	1.3
532.34393	0.6
552.16473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01863	1.5
55.05515	6.9
55.20934	1.0
57.03440	5.7
57.07080	1.2
58.24133	1.1
61.02916	1.5
61.60139	1.1
62.32870	1.2
67.05180	1.6
67.05507	19.3
67.60838	1.2
69.07064	6.2
71.04990	1.0
71.08633	17.5
71.55987	1.0
79.05495	20.1
81.03413	5.0
81.07062	22.4
83.04989	3.9
83.08613	5.8
85.02885	1.7
85.06544	1.8
90.49380	1.0
91.05474	15.5
91.10576	1.1
93.07041	22.3
95.04971	4.2
95.08613	15.2
97.02873	2.1
97.06536	4.1
97.10172	1.8
99.08102	12.4
105.07024	11.7
106.41959	1.0
107.04972	3.0
107.08606	16.2
109.02865	1.6
109.06510	2.3
109.10175	6.4
117.07037	3.1
119.08594	9.6
121.06484	1.4
121.10159	13.2
123.08115	2.0
123.11669	1.5
125.09627	1.9
129.07010	2.1
131.08551	5.8
133.10152	8.7
135.08057	2.3
135.11699	13.4
137.09590	1.8
143.08569	2.3
145.10130	4.0
147.11693	3.2
149.09671	1.5
149.13252	3.3
151.11174	5.3
157.10179	2.8
159.11710	3.3
161.05904	1.4
161.13292	5.5
163.11206	3.3
163.14793	1.6
168.46634	1.2
171.11707	1.5
173.13246	2.0
177.12743	1.4
179.14313	31.8
185.13298	1.1
187.14828	1.3
193.58952	1.2
227.12724	1.2
235.17107	1.2
241.19543	1.7
249.10927	1.8
259.20596	3.0
277.21637	23.3
305.13745	1.3
351.25308	100.0
359.16818	2.6
513.29559	2.6
513.36444	1.6
531.25171	12.4
531.36688	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	531.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	4.2
65.03925	5.0
67.05511	3.2
69.03433	24.3
69.61312	10.9
71.04985	4.4
73.02904	2.6
73.50736	1.7
79.05474	8.1
81.03423	15.5
83.04964	5.2
85.02914	27.9
91.05486	62.7
94.16391	1.8
95.04967	4.0
97.02891	14.0
98.21552	2.0
99.04431	5.0
103.03983	2.2
103.05447	2.7
105.03353	2.5
107.04945	3.4
109.02864	8.3
109.68224	2.3
111.04436	2.6
119.04948	80.3
123.04430	3.5
127.03930	20.0
129.03355	8.3
129.05449	3.0
131.04962	3.1
133.06490	7.3
145.02831	4.1
145.04945	5.5
147.04417	100.0
149.05931	3.3
154.76479	1.8
161.05994	15.8
163.04039	2.1
164.99150	2.0
165.05423	8.0
173.04445	3.2
175.03928	62.5
175.05647	3.2
175.06093	5.1
177.05455	7.5
179.07005	12.9
185.05873	2.0
189.03719	3.3
189.05473	63.2
193.04976	17.4
205.04999	3.7
207.06540	71.7
217.04933	2.2
225.07585	7.3
231.06448	2.3
319.08105	7.3
333.09558	3.1
337.09119	5.4
351.10699	11.0
369.12015	2.8
481.13235	3.5
499.13821	2.3
502.92661	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01866	7.0
55.05519	35.0
57.03437	17.3
59.04985	2.9
65.03941	2.1
67.05510	100.0
68.05848	2.7
69.03441	3.8
69.07066	21.3
69.09164	2.3
69.70091	5.4
69.70498	9.7
71.04980	8.8
73.02895	8.1
79.05075	3.8
79.05499	51.6
81.03425	16.0
81.07060	89.4
82.07388	3.0
83.05005	10.7
83.08219	2.3
83.08624	25.2
85.02908	11.2
85.06531	6.2
87.04453	8.9
91.05486	32.9
91.97705	2.5
93.06487	3.3
93.07052	51.9
95.04980	11.9
95.08598	26.6
97.06524	10.3
97.10187	15.8
99.08096	2.9
105.07015	13.4
107.04968	3.2
107.07978	3.1
107.08611	32.3
109.06516	5.3
109.09480	3.0
109.10169	43.4
111.08061	8.5
111.68744	2.3
117.07021	11.3
119.08576	14.4
121.06463	3.7
121.10149	16.2
123.08053	4.1
123.11662	4.1
125.09628	15.6
129.05458	5.5
129.07002	3.1
131.08589	14.3
133.10147	16.7
135.11714	16.3
143.10670	3.0
145.10130	8.9
147.11671	4.5
149.09595	2.8
149.13264	16.4
153.12776	2.4
154.52217	2.1
155.10699	3.7
159.11670	10.0
163.11171	8.9
173.11723	15.8
177.12737	6.3
193.12267	3.6
195.13795	19.4
199.13284	7.7
209.11736	6.6
213.14772	4.2
227.12741	4.3
229.14357	47.6
239.16508	3.0
267.15915	5.2
269.17493	64.3
283.15482	3.1
300.77145	2.0
301.16470	16.2
372.76230	2.9
411.27228	6.1
423.27332	20.9
470.22284	2.5
495.29742	20.8
513.30634	16.6
530.39478	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	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
53.55379	0.7
55.05515	15.4
57.03444	13.9
59.04979	0.9
59.90987	0.7
65.03941	1.7
67.05508	24.9
69.03411	2.9
69.06794	0.6
69.07068	6.2
69.28097	5.8
71.05006	4.0
79.05496	27.0
81.03420	66.2
81.07056	27.5
83.04981	18.0
83.08623	23.9
84.22642	0.7
85.02908	25.3
85.06519	2.1
87.27677	0.6
89.70193	0.6
91.05484	35.1
93.06485	1.2
93.07046	18.0
95.04972	27.2
95.08614	9.7
97.02905	3.4
97.06514	4.2
97.10181	3.7
99.08068	0.8
103.05492	1.0
105.07034	26.0
107.04947	8.5
107.08593	7.3
109.06516	5.3
109.10149	2.9
111.04433	2.7
111.08083	10.5
113.06004	2.5
115.05439	1.4
117.06997	1.7
119.04929	1.1
119.08592	20.3
121.06505	1.5
121.10150	10.2
123.08059	2.7
123.11681	1.8
125.05960	0.8
125.09628	1.8
127.07495	0.9
128.06180	0.9
129.07010	11.2
131.08574	13.3
133.06458	2.7
133.10135	11.0
135.08075	0.7
137.09578	1.2
140.80597	0.6
142.07788	3.5
145.10107	2.5
147.08054	3.1
147.11694	15.8
149.09615	5.4
151.11145	0.8
157.10143	15.1
163.11230	0.9
165.12764	3.4
175.11191	18.1
193.12250	61.7
211.13295	100.0
249.14938	1.1
267.15936	27.8
285.16971	98.3
324.37405	0.7
367.22638	1.1
385.23816	1.7
401.27939	0.7
459.27338	10.6
477.28433	15.0
477.34753	1.3
495.29532	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
54.32102	1.1
55.01867	2.0
55.05508	14.0
57.03434	13.9
57.07072	1.2
59.05001	30.7
61.02919	3.3
67.05503	50.2
67.71700	1.0
69.03413	2.7
69.07056	4.3
69.59164	4.9
70.06600	1.6
70.43204	1.1
71.05005	4.9
72.08140	1.8
73.02906	2.0
79.05497	7.7
81.03410	6.1
81.07065	11.6
83.04972	3.1
83.08613	6.4
85.02905	6.2
85.06551	2.5
86.09695	2.3
87.04461	57.9
91.03970	1.3
91.05473	7.4
93.07040	4.3
95.04961	2.3
95.08586	5.2
97.02872	9.5
97.06519	1.8
97.10179	7.2
98.21523	1.0
98.97576	1.3
99.04458	5.3
103.03928	2.6
105.07028	2.5
107.04971	1.7
107.08585	5.2
109.02884	1.2
109.06545	1.4
109.10156	51.2
111.04453	1.8
111.08075	3.7
115.03941	1.5
115.16639	1.0
119.08566	5.9
121.02869	9.5
121.06529	0.9
121.10122	1.5
125.09624	8.4
127.03886	1.8
131.08553	1.9
135.11685	1.8
137.09613	2.9
139.03868	1.5
145.10097	2.4
151.70749	1.0
155.10648	8.8
163.11223	2.0
173.11725	35.9
177.05324	1.1
180.09180	1.5
191.10614	1.9
193.12308	1.7
229.14348	100.0
257.13882	8.2
265.07156	1.9
267.15826	1.5
283.08203	2.2
283.15430	2.7
333.19101	5.5
405.01099	1.2
468.09167	1.2
477.23196	4.5
530.25000	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	530.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
55.05506	10.8
56.96560	2.3
57.03434	11.1
57.07065	0.9
59.05000	35.5
61.02919	2.9
65.03938	1.3
67.05505	45.5
69.03427	3.0
69.07054	2.5
70.06592	1.2
71.04981	3.9
71.56007	1.5
72.36913	0.8
73.02901	2.0
79.05496	7.3
81.03416	3.7
81.07056	11.0
83.04955	2.2
83.08617	7.3
85.02911	6.5
85.06545	1.6
86.09700	1.7
87.04468	77.3
87.73634	0.8
91.03944	1.7
91.05486	4.6
93.07030	4.1
95.04995	1.9
95.08606	4.7
97.02893	6.7
97.06521	2.2
97.10161	5.7
99.04456	3.0
103.03938	1.2
105.07049	2.5
107.04929	1.6
107.08582	3.6
109.02876	1.0
109.06541	0.9
109.10157	53.1
111.04459	0.9
111.08094	2.5
116.99359	0.7
117.07034	1.1
119.08603	4.2
121.06506	0.8
121.10123	0.9
125.09596	4.7
127.03931	1.8
129.07001	1.0
131.08582	1.0
135.11713	1.2
137.09607	2.5
143.10690	0.9
145.02831	2.7
146.05977	1.0
147.08044	0.9
155.10602	6.1
159.11722	0.9
163.11185	2.0
173.11732	30.8
174.05492	1.1
177.05453	2.9
193.12248	2.6
229.14345	100.0
236.17197	1.1
257.13776	13.1
262.50391	0.9
285.10178	1.0
333.06335	1.0
333.19122	5.2
402.20300	0.9
495.24161	1.0
507.11661	1.5
530.22736	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	530.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
54.19096	1.0
55.01859	2.4
55.05509	15.9
56.96553	2.2
57.03439	15.1
59.05002	38.3
61.02910	3.4
63.37799	1.1
64.49629	1.3
64.61985	1.1
65.03918	1.5
67.05505	62.5
68.27927	1.2
69.03412	5.8
69.07056	4.7
70.06578	4.9
71.01355	1.1
71.05000	6.2
71.55980	1.1
71.56332	1.7
72.08141	1.8
73.02905	2.1
73.26878	1.1
74.09718	1.3
79.05495	8.6
80.73738	1.3
81.03429	6.0
81.07053	13.3
83.04964	4.4
83.08618	10.7
83.99332	1.2
84.08092	1.3
85.02886	6.6
85.06501	1.7
86.09702	6.9
87.04466	87.6
89.03945	1.1
90.02838	1.1
91.05479	8.1
93.07021	4.2
95.04946	3.1
95.08599	6.1
97.02880	6.1
97.06530	2.9
97.10172	10.5
99.04439	6.4
105.07034	2.1
107.04954	2.8
107.08619	6.5
109.02843	2.3
109.10155	64.5
111.04456	2.9
111.08062	3.3
112.07632	1.3
115.03913	1.5
117.06947	1.7
119.08601	8.0
121.10094	1.7
125.09618	10.9
127.03935	2.2
133.10222	1.3
135.11755	1.3
137.09608	3.4
145.02852	2.6
145.10112	3.2
147.04309	1.5
151.92412	1.3
153.12752	1.9
155.10645	7.3
159.04465	1.4
163.03894	4.8
163.11153	3.4
166.08536	1.4
167.07010	1.5
173.11734	39.3
177.05428	2.7
189.05353	1.9
193.12248	3.0
199.13155	1.3
217.14267	3.1
227.12878	1.5
229.14340	100.0
233.27191	1.4
257.13892	15.1
266.50504	1.2
267.54456	1.2
289.07980	1.3
295.91394	1.3
315.04956	1.3
333.19019	9.0
477.23758	1.9
530.26367	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	530.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64294	0.6
53.03951	0.8
56.05038	7.5
57.03433	2.5
67.05502	0.6
69.03439	2.5
70.06595	5.7
70.77173	0.7
70.77496	1.0
71.05004	0.8
74.06084	100.0
79.05492	1.3
81.03429	2.2
81.07058	0.9
83.04986	0.6
84.04515	3.6
85.02908	3.1
85.45927	0.6
86.06069	1.5
86.09703	6.1
91.05505	7.1
95.08611	0.9
96.32864	0.6
97.02912	3.7
97.06574	0.8
98.06068	12.3
98.09713	2.6
98.97607	2.4
99.04482	0.9
102.05547	6.5
109.02899	6.5
112.07629	1.2
114.05565	0.7
116.07097	53.4
118.04179	1.5
119.04941	7.9
120.06586	19.7
127.03919	1.8
129.03363	4.9
133.06534	1.4
135.11707	0.6
136.07538	0.7
140.07019	0.7
144.06567	71.1
145.04973	2.2
147.04428	8.8
158.99706	1.0
161.06010	2.5
162.07637	11.8
162.08949	1.0
163.03867	1.4
170.47609	0.5
171.14023	0.6
175.03976	2.8
179.07042	1.3
189.05475	17.7
205.18202	0.6
207.06525	3.7
210.07607	1.1
220.81931	0.7
228.08742	2.5
240.08766	1.7
246.09787	3.0
252.08818	0.9
254.11064	2.1
261.09924	0.9
264.10861	2.3
270.09738	17.9
286.14117	0.9
288.10806	12.5
306.11798	6.8
323.12616	0.7
338.07474	1.9
415.18137	0.9
469.72113	0.8
507.66568	0.7
530.21472	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03935	1.8
55.01856	1.1
55.05268	0.6
55.05513	9.7
56.98360	0.4
57.03428	1.6
57.07069	3.0
59.05009	0.4
62.09035	0.4
64.75576	0.4
65.03931	1.3
67.05504	23.7
69.07068	10.1
69.96030	1.7
70.06593	0.7
71.04982	1.2
71.08608	1.1
74.31821	0.4
77.03868	0.5
79.05489	15.3
81.03416	1.0
81.07056	23.9
83.04976	1.2
83.08620	4.8
85.06537	1.4
88.07630	0.6
91.05478	16.5
93.07046	17.1
95.04988	2.6
95.08602	15.5
97.06525	1.9
97.10164	2.3
99.08090	1.1
103.05466	0.7
105.04516	0.6
105.07027	16.2
107.08595	8.9
109.06514	1.2
109.10143	5.8
111.08070	1.1
115.05431	0.7
117.07018	8.4
119.08578	10.9
121.06490	1.0
121.10138	6.7
123.08082	0.7
123.11697	1.7
125.09611	0.7
128.06239	1.2
129.06992	5.5
130.07788	0.8
131.08565	16.0
133.10129	6.2
135.08099	0.8
135.11691	4.1
137.09448	0.6
137.13289	0.8
141.07002	1.9
143.08565	7.4
144.09399	0.4
145.10115	12.6
147.11702	3.8
148.18867	0.4
149.09558	0.5
149.13280	3.4
151.11113	0.5
154.07930	0.5
155.08536	3.3
157.10139	6.2
159.11681	6.1
161.13237	2.9
163.11244	0.7
163.14824	1.1
167.08603	1.3
169.10117	3.4
171.11700	4.2
173.13251	4.0
175.14847	1.8
177.12756	0.8
181.10161	2.1
182.11050	0.4
183.11682	3.8
185.09703	0.5
185.13260	2.9
187.14812	3.4
189.12854	0.7
189.16283	0.7
195.11688	1.7
197.13242	1.6
199.14827	2.7
201.16380	1.5
203.17932	0.7
209.13228	1.4
210.84557	0.4
211.14847	1.8
213.16391	2.0
215.18010	1.3
217.15918	0.5
217.19395	0.5
221.13223	0.6
223.14792	1.4
225.16411	1.5
227.17993	1.5
228.23114	0.5
233.15387	0.5
237.16275	1.1
239.17815	1.0
241.19460	0.8
243.21191	1.0
253.19705	0.6
255.17514	0.8
256.26437	0.4
261.22174	1.6
265.19617	0.5
267.21091	0.8
271.20541	0.6
283.20435	0.5
285.22015	0.7
299.23895	1.0
301.21692	0.5
311.23740	0.8
313.25296	1.2
317.24771	1.1
325.25409	1.4
337.25153	0.5
339.26859	0.8
354.30176	0.4
409.34409	0.5
417.30209	0.6
419.33118	2.8
431.31714	0.6
437.34171	12.0
437.39865	0.9
455.35110	3.8
473.36676	3.4
475.35620	0.5
493.36688	0.8
511.37845	6.0
529.38885	100.0
529.49957	5.2
530.39075	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.05508	11.1
57.03440	1.7
57.07066	3.7
63.68047	1.3
65.03936	2.1
66.43375	1.3
67.05504	36.3
67.05841	2.6
69.07066	12.1
70.06567	1.6
71.04984	2.3
71.08633	2.1
71.55707	1.7
79.05490	25.4
81.03436	3.4
81.07053	40.1
83.04986	1.4
83.08620	7.7
86.56889	1.1
88.07677	1.4
88.78369	1.2
91.05476	21.5
93.07048	27.2
93.67059	1.2
94.46468	1.2
95.04985	3.7
95.08610	18.7
97.06554	2.9
97.10201	2.0
105.04471	1.2
105.07037	15.1
107.08584	17.1
109.10155	8.0
111.08080	2.7
117.07016	8.0
119.08590	10.5
121.10164	13.4
123.11718	3.0
128.06244	1.2
129.07018	3.5
131.08557	12.9
133.10141	10.5
135.11685	7.0
137.13322	1.6
143.08586	4.1
145.10123	8.8
147.11729	3.3
149.13297	10.6
155.08592	2.5
157.10187	3.5
159.11685	8.3
161.13226	1.5
169.10126	2.2
171.11775	3.2
173.13327	3.7
175.14828	1.2
177.12738	1.3
183.11742	1.7
185.13235	3.0
187.14882	2.8
195.13858	5.4
199.14832	1.2
200.20203	1.3
201.16438	2.0
209.13210	1.3
212.92809	1.1
231.16063	1.2
256.26355	1.7
261.22095	1.7
272.25562	1.3
283.26382	1.8
284.26511	2.3
285.22177	1.3
291.03683	1.3
317.24667	1.4
419.33438	2.2
437.34171	5.9
455.35068	2.5
473.36066	2.0
511.37827	3.6
529.39001	100.0
529.50256	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	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.6
53.03937	6.6
55.01871	18.4
55.05271	3.2
55.05511	31.4
56.33943	1.7
57.03204	1.7
57.03433	15.9
57.52103	1.8
60.35534	1.7
61.02929	32.6
65.03940	2.5
67.05506	66.7
69.03421	21.6
69.07066	32.1
71.04983	6.4
71.56054	3.1
73.02911	14.3
79.05493	60.7
80.06301	2.6
81.03422	21.0
81.07062	48.4
83.04981	22.0
83.08615	15.3
85.02902	29.6
85.06546	3.9
85.24390	2.2
85.52622	2.3
87.04458	2.4
87.85669	2.3
91.03943	14.4
91.05482	48.2
93.07045	44.9
95.04963	27.6
95.08055	2.9
95.08603	27.3
97.02887	26.2
97.06530	52.7
97.10165	18.7
98.20693	2.8
99.04449	5.7
99.08076	3.4
103.03944	3.8
104.16915	2.2
105.06387	3.7
105.07030	41.4
107.04951	17.0
107.08591	40.2
109.02856	4.5
109.06499	8.6
109.10164	20.7
111.04428	6.1
111.08056	5.7
115.05461	2.4
117.07008	14.0
119.05001	2.5
119.08579	36.0
120.07816	2.3
121.06495	4.3
121.10155	17.8
123.04383	3.0
123.08058	3.9
123.11742	5.9
125.09628	26.0
127.03865	11.3
128.06224	3.6
129.05450	4.4
129.06995	6.7
131.08527	16.6
133.06500	5.0
133.10127	29.5
135.08026	7.5
135.11705	15.3
135.56807	1.9
137.09604	5.1
139.07500	2.8
141.06960	4.1
142.07764	3.5
143.08556	9.7
145.04976	3.6
145.06468	3.4
145.10124	21.0
147.11710	16.0
149.09608	22.4
149.13266	6.4
151.11166	4.4
153.09125	2.8
155.08612	4.2
157.06462	3.8
157.10104	9.5
159.08118	2.4
159.11705	17.4
161.06023	2.8
161.09608	3.0
161.13203	6.9
162.03061	2.3
163.11203	10.2
167.08519	4.5
169.06479	5.6
169.10129	6.0
171.07925	5.0
171.10168	8.6
171.11574	4.2
173.05923	2.9
173.09598	4.3
173.13266	8.3
175.11223	2.6
177.12794	5.0
179.14345	2.8
181.06482	2.7
181.10153	2.7
183.08127	2.7
185.09608	3.3
185.13319	3.1
187.07693	3.2
187.11172	5.3
187.14795	2.4
189.05418	4.2
189.09467	2.6
189.11206	18.2
189.12747	3.7
193.12286	4.6
195.08044	9.1
195.13837	7.4
197.06001	3.1
199.07620	2.4
201.09087	3.3
205.12082	3.6
205.88605	2.3
211.13181	3.7
213.09030	5.0
223.07579	5.1
225.05455	2.1
225.09015	2.4
227.12775	19.5
229.14374	5.9
229.19530	3.5
239.07030	3.9
239.17955	5.4
240.07860	6.2
241.08638	13.9
245.13821	10.7
247.20557	3.3
247.35396	2.7
251.10487	2.5
252.11517	3.8
253.12004	2.9
253.17928	6.2
257.18927	13.9
265.14532	2.9
267.13654	4.5
267.16101	3.2
269.17465	19.6
275.20068	76.5
283.15594	4.6
285.17032	2.7
291.13824	4.2
293.11560	6.2
293.15167	3.4
293.20999	6.8
295.13269	7.1
309.14822	8.7
319.13232	7.5
337.14352	47.6
349.23734	100.0
355.15497	10.7
367.20453	2.9
367.24826	35.2
391.24548	4.5
433.25745	2.9
439.26889	3.1
450.69843	2.6
475.26718	3.2
494.28033	2.8
511.28680	6.3
529.20203	11.0
529.28650	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	528.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
53.69333	2.5
55.01850	4.8
55.05522	19.7
56.96534	2.4
57.03439	19.6
61.02921	4.5
67.05194	3.1
67.05511	44.0
68.05844	2.4
69.03420	8.3
69.07061	13.4
71.04983	6.4
71.54194	2.9
73.02922	3.7
79.05495	47.9
81.03426	48.9
81.07059	43.6
82.03735	2.9
82.07391	2.4
83.04987	15.5
83.05390	2.6
83.08619	21.7
85.02905	26.9
85.06541	3.2
91.03952	3.2
91.04983	3.9
91.05490	47.0
92.05772	3.1
93.07044	48.3
95.04962	24.5
95.08070	4.0
95.08615	44.2
96.08964	3.2
97.02893	6.1
97.06522	8.0
97.10197	3.4
97.67303	2.5
99.04453	5.7
105.06409	2.8
105.07038	30.4
106.07342	4.2
107.04986	11.5
107.08604	36.8
109.06513	7.6
109.10160	15.1
110.10504	2.4
111.04443	4.2
111.08078	9.1
113.06015	2.7
117.07067	11.5
119.08581	27.8
121.06498	6.9
121.10149	17.1
123.08080	6.3
125.09650	3.2
127.03882	4.0
129.06972	9.9
129.66039	2.6
131.08554	11.1
133.06465	2.9
133.10147	18.2
134.10492	5.0
135.08020	7.6
135.11694	41.9
137.09624	2.9
139.07489	3.5
143.08540	3.0
145.10104	29.8
147.08084	3.3
147.11649	10.7
149.09636	9.3
150.13556	3.2
151.11192	6.5
152.11516	3.3
153.12701	3.7
157.10139	11.9
163.11189	58.5
175.11203	10.2
180.32890	2.2
181.12231	10.4
189.05342	2.7
193.12274	38.5
209.11771	5.1
211.13290	58.5
227.12799	77.8
253.14328	3.5
254.14740	2.6
267.15973	24.2
283.15411	71.7
285.16962	100.0
318.34305	2.6
366.23492	3.1
475.27029	27.1
493.27997	94.1
528.28705	3.5
528.36432	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	528.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.0
55.05514	6.8
55.23408	0.7
57.03431	7.5
57.07076	12.9
59.04996	2.4
60.59241	0.7
61.02931	5.5
67.05496	2.1
69.03426	12.7
69.07069	52.1
69.28191	2.3
69.28620	3.2
71.01347	2.2
71.04994	6.1
71.08625	10.2
73.02916	24.5
73.06559	10.4
79.05479	1.5
81.03412	2.9
81.07062	1.5
83.05016	1.1
83.08627	2.0
85.02908	27.2
85.10181	4.6
86.54784	0.6
87.04478	1.9
89.06031	33.9
89.41618	0.6
91.03922	0.7
91.05460	1.6
93.07057	2.1
93.44194	0.7
95.08624	0.9
97.02299	1.3
97.02892	19.1
97.06524	2.4
99.04440	1.5
99.11708	1.0
103.03946	1.5
107.04936	0.9
107.08571	0.8
109.02872	1.8
111.04442	0.8
111.11722	84.6
115.03925	9.1
123.04411	1.0
127.03934	7.2
129.12758	100.0
133.04965	8.0
145.04964	8.3
163.06021	2.4
163.11185	0.8
170.15385	1.0
199.06107	0.9
199.16942	23.0
217.17986	37.3
223.05817	1.1
225.52623	0.7
241.07063	1.7
259.08014	1.9
293.08313	0.7
337.14041	0.9
355.15750	0.7
510.27731	0.9
528.29602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.01870	10.9
55.05516	29.6
56.05097	2.4
57.03440	19.5
59.58673	2.4
67.05508	33.2
69.03428	5.6
69.07073	11.2
69.50957	13.7
71.04984	7.4
76.72347	2.7
79.05499	38.8
81.03422	64.0
81.07061	42.9
83.01341	9.1
83.04987	25.7
83.08624	28.9
85.02901	22.3
91.05486	39.4
93.07037	39.8
95.04980	30.4
95.08620	15.5
97.02869	6.7
97.06532	9.9
97.10181	5.7
99.04462	2.8
105.07049	31.1
107.04955	13.9
107.08596	14.8
109.06518	8.2
109.10179	6.8
111.04459	4.5
111.08091	17.1
117.07039	10.1
119.08585	27.3
121.06517	3.7
121.10143	15.9
123.08078	11.7
129.07037	11.7
130.57909	2.5
131.08556	15.2
133.06479	4.6
133.10133	13.8
135.08026	3.4
135.11697	10.3
142.07803	3.6
143.08592	2.4
145.10146	16.1
147.08052	4.2
147.11707	14.9
149.09622	3.8
153.12793	3.9
157.10152	17.3
163.11200	29.4
175.11180	13.2
182.25793	2.8
193.10503	2.3
193.12260	51.8
209.11758	10.9
211.13301	90.4
227.12828	3.9
267.15979	18.0
276.22772	2.3
283.15405	100.0
283.18600	5.1
285.16965	60.8
330.64630	2.4
383.22345	3.1
457.25677	3.6
475.26797	14.4
493.28024	99.1
528.33972	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	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48701	0.2
69.32594	0.5
69.32993	2.0
79.05508	0.2
79.78831	0.2
85.02902	0.3
109.10175	0.6
119.08629	0.3
129.03380	0.4
130.95866	0.3
147.04556	0.2
150.78357	0.3
151.03883	0.3
153.66830	0.2
161.05846	0.3
189.05510	2.7
198.12146	0.3
215.71886	0.2
275.07507	0.7
300.63861	0.3
317.08429	0.3
335.09497	0.8
365.08783	0.4
395.20325	2.4
399.05453	0.3
437.21515	0.4
527.24664	100.0
528.25092	1.5
528.31848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2852
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
51.43417	0.8
53.03947	5.2
54.49696	0.9
55.01876	10.4
55.05512	26.8
57.03441	15.4
58.42807	0.8
58.61478	0.9
61.02930	17.2
65.03930	2.1
66.39749	0.8
67.05508	36.9
69.03433	23.3
69.07072	22.6
70.08112	3.8
71.01344	2.5
71.05003	5.8
73.02909	8.2
79.05495	25.5
81.03423	28.9
81.07058	28.7
83.01340	1.0
83.04974	8.5
83.08622	12.2
85.02442	1.5
85.02911	22.8
85.06524	1.2
87.04478	1.3
91.03953	7.7
91.05485	18.7
93.07050	19.3
95.04976	12.7
95.08618	14.5
97.02897	21.7
97.06543	5.2
97.10170	16.7
99.04462	5.2
99.08092	2.1
101.02379	4.1
102.03783	1.0
103.03939	2.5
103.05482	1.0
105.07034	15.2
107.04957	9.5
107.08597	16.3
109.02864	8.5
109.06522	4.9
109.10164	13.1
111.04465	4.4
111.08090	5.1
115.05412	1.1
117.07021	7.1
119.04951	1.9
119.07785	1.4
119.08588	12.8
121.06534	4.8
121.10145	7.2
123.04420	1.2
123.08074	7.6
123.11716	1.2
125.09631	16.6
127.03930	9.2
129.05479	2.2
129.07014	4.7
131.08569	7.2
133.06485	2.8
133.10115	5.6
135.08063	5.2
135.11668	4.2
137.09648	3.6
143.08545	2.9
143.10631	1.3
145.05002	2.2
145.06519	1.8
145.10115	8.1
147.08017	6.9
147.11691	4.5
149.09619	2.8
149.13274	1.8
151.11140	2.2
153.09096	2.4
153.12791	2.4
155.08545	1.6
155.10602	1.4
157.06458	1.2
157.10191	4.7
159.08047	1.5
159.11703	3.7
161.09608	3.0
161.13338	0.9
163.07555	1.1
163.11186	7.5
165.09081	2.1
169.12299	1.6
171.10167	2.1
171.11574	2.0
173.04489	2.5
173.09558	1.5
173.11761	2.6
173.13188	1.3
175.11134	2.2
177.12733	2.0
179.10641	1.0
181.12251	2.0
183.06546	2.6
183.11728	1.3
189.05469	6.9
189.11241	10.9
189.12755	2.0
191.10657	1.8
193.12222	7.6
195.13808	1.2
199.11136	1.6
201.07562	1.8
205.12352	1.7
209.11798	2.9
211.13289	8.7
223.13303	17.0
227.12779	7.0
227.17992	1.7
229.14293	4.4
235.13278	2.7
245.13678	1.4
245.19173	1.9
249.14781	3.4
255.17430	3.1
263.20084	2.2
267.15933	2.0
273.15485	1.6
273.18488	20.7
283.15378	3.8
291.19559	100.0
347.22177	8.3
365.23251	35.2
393.22873	1.8
407.24664	1.6
429.21161	1.9
435.23837	1.3
437.25168	1.1
456.59134	1.0
473.25159	1.6
491.26138	1.7
509.27493	9.0
521.89648	1.1
527.28534	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97342	0.6
53.44186	0.5
54.99559	0.6
55.05513	0.6
58.68601	0.5
60.29209	0.5
67.05487	1.3
69.03430	1.1
69.07081	0.9
70.06593	1.1
71.04999	1.4
71.56097	1.2
72.89853	0.5
74.51730	0.5
79.05495	0.9
81.03408	0.7
81.07053	2.3
85.02897	2.0
86.09698	1.5
91.05483	0.8
93.07040	1.5
95.08607	1.2
97.02882	1.4
97.06504	1.2
98.97598	1.3
99.08124	0.6
105.07030	1.5
107.05038	0.6
107.08590	1.5
109.06454	1.0
109.10153	1.4
119.04912	0.6
119.08548	1.1
127.03907	0.7
131.08530	0.6
145.02817	0.7
145.10231	0.6
147.04337	0.6
159.04330	0.6
163.03932	1.9
164.04265	0.5
177.05481	2.2
185.04222	0.7
203.05283	1.3
243.04802	2.2
245.06378	3.4
261.18286	1.9
263.19888	1.6
264.67551	0.7
271.04297	0.6
272.14301	0.6
279.19330	7.2
287.03726	17.7
289.05304	29.2
313.16727	0.7
321.19186	1.4
365.23337	0.8
483.25732	8.1
527.24640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31190	0.3
53.03934	0.3
55.05514	2.0
57.03424	1.0
64.03619	0.3
67.05507	4.0
69.07053	0.4
71.05004	0.4
71.56417	0.4
74.01627	0.3
79.05490	1.8
81.03411	1.5
81.07044	1.8
83.04978	1.0
83.08616	0.8
85.02908	0.6
89.31078	0.3
91.05479	1.5
93.07034	1.5
95.04954	0.7
95.08612	0.7
97.06523	0.4
97.10160	0.6
103.05453	0.8
105.07011	1.5
107.04948	0.4
107.08585	1.0
109.06561	0.4
109.10156	2.9
111.62495	0.3
117.06960	0.3
118.04152	0.8
119.08572	1.2
121.06522	0.3
123.08107	0.3
125.09613	0.8
129.03368	15.1
131.04932	2.2
131.08556	0.4
133.10129	0.6
135.11720	0.7
138.24414	0.3
145.02849	0.3
145.10101	0.6
146.03607	0.4
159.04405	0.6
161.06004	5.6
163.03893	0.5
163.11209	1.1
173.11777	0.7
189.05469	100.0
190.05885	0.6
191.10672	0.4
193.12196	0.5
209.11681	0.5
211.13258	0.4
227.12688	0.3
229.06468	0.4
229.14316	1.1
231.08073	0.3
283.15527	0.7
289.08582	0.7
290.09564	0.3
292.08945	0.3
317.08133	0.7
320.12140	0.3
349.10684	1.6
435.12100	0.3
467.14792	0.5
495.14557	0.4
509.15976	0.3
509.26962	0.4
527.28601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
57.03427	0.3
57.49736	0.1
59.01375	0.2
61.02924	0.3
68.73846	0.2
69.03432	1.2
69.07046	0.2
69.47494	0.3
69.47910	0.7
71.04968	0.2
73.02901	0.4
79.05496	0.3
81.03406	0.5
81.07048	0.3
83.01318	0.2
85.02908	2.4
87.04478	0.3
91.05475	0.2
93.07037	0.2
97.02887	1.0
98.20765	0.3
99.04438	0.3
103.05457	0.5
105.07024	0.5
109.02895	0.2
109.06543	0.2
109.10214	0.2
118.04158	0.5
118.08282	0.2
127.03929	0.6
129.03369	11.8
130.04178	0.2
131.04948	1.5
133.10150	0.2
140.07034	0.2
145.02824	0.6
145.04964	0.4
146.03642	0.5
159.04433	0.3
159.11703	0.2
161.05983	4.3
175.03944	0.3
176.04649	0.5
177.05443	0.9
189.05475	100.0
190.05901	0.6
196.67410	0.1
201.05453	0.2
203.07103	0.4
205.05054	0.2
206.02858	0.1
215.07010	0.3
215.14339	0.1
217.05023	0.2
227.07159	0.2
229.04999	0.9
231.06546	0.8
243.06490	0.2
255.06535	0.5
273.03998	0.3
333.09589	0.5
335.09573	0.6
347.07669	0.5
351.10696	0.2
354.11792	0.3
365.08682	9.1
407.09583	0.4
491.11932	0.3
527.06042	0.4
527.13910	7.2
527.24506	8.1
544.17877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.2
55.46248	1.5
57.03434	16.2
57.07069	3.9
59.05006	3.9
65.03940	2.0
67.05505	92.2
69.07073	16.1
71.04978	2.2
71.08614	3.1
71.55563	2.1
79.05486	8.5
81.07057	42.1
83.08621	14.3
85.06561	2.5
89.06026	34.9
89.50782	1.7
91.05490	10.4
93.07042	11.6
95.08611	26.7
97.10168	4.3
99.08070	2.1
105.07028	3.8
107.08575	5.7
109.10157	71.4
111.08073	2.5
115.01814	1.8
116.89663	1.4
119.08585	9.4
121.10147	4.7
123.11689	5.8
133.08618	19.7
133.09590	1.9
133.10103	4.1
135.11694	2.9
137.09605	4.2
137.13332	1.6
139.11157	1.5
147.11632	2.3
155.10670	4.8
161.13147	1.6
163.14832	2.1
173.11757	23.8
177.11220	7.1
193.25594	1.6
221.13831	2.3
229.14348	88.9
239.14941	1.7
263.23660	5.0
327.20081	23.7
337.27374	100.0
491.37314	80.2
526.53290	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
54.04382	1.1
55.01871	4.6
55.05267	1.4
55.05510	12.1
56.96560	3.6
57.03440	8.4
57.07055	1.2
59.05009	1.0
65.03954	1.1
67.05138	0.9
67.05505	16.5
69.03421	3.6
69.07078	5.9
69.42771	7.2
71.04977	2.7
79.05495	18.0
81.03432	6.6
81.07057	18.0
83.01363	4.8
83.04977	9.8
83.08617	9.9
85.02898	3.0
86.98198	0.8
87.04445	0.9
91.05475	10.9
93.07043	25.6
95.04974	7.4
95.08607	19.9
97.02885	2.6
97.06559	2.6
97.10166	1.7
99.04456	3.2
105.07028	9.3
107.04950	7.3
107.08602	17.4
109.02887	2.2
109.06535	4.9
109.07165	0.9
109.10182	4.3
111.04453	3.9
111.08075	1.6
117.07001	7.6
119.08591	9.7
121.06487	4.2
121.10170	10.1
123.08051	4.8
125.05991	2.9
125.09599	1.8
128.06171	0.9
129.05414	1.4
129.06975	2.5
130.07758	1.7
131.08575	3.2
133.06512	0.9
133.10161	4.1
135.08067	1.5
135.11699	29.1
136.07591	2.8
137.09575	1.5
139.07539	2.0
143.08536	2.5
145.10126	21.1
147.08018	1.8
147.11731	1.4
151.07274	0.9
153.12755	1.6
154.08614	5.8
155.07387	0.8
155.08583	1.3
157.10123	1.7
161.09671	1.9
163.11189	43.2
171.11732	1.1
173.09586	2.3
180.10214	1.5
181.12230	6.8
191.10606	1.2
193.12213	1.1
195.85323	0.9
209.11772	4.5
227.12791	36.1
267.15784	2.2
281.13885	1.2
283.15399	100.0
299.14685	1.0
379.45035	0.9
387.84616	1.0
399.23126	1.0
445.22559	1.0
455.25583	1.1
467.24829	1.0
473.25601	1.5
485.25616	3.9
491.26453	57.0
503.26797	13.3
519.57678	1.0
526.36157	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	526.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22060	0.4
53.03938	1.7
55.01878	6.0
55.05514	10.2
57.03198	0.6
57.03438	7.5
59.05010	2.8
65.03932	0.6
67.05505	7.5
68.81384	0.5
69.03432	0.8
69.07071	2.5
69.45934	3.6
69.67646	0.5
71.01340	0.7
71.04984	2.3
71.75469	0.4
79.05495	13.7
81.03426	8.0
81.07061	12.3
83.01345	7.7
83.04979	9.0
83.08627	8.9
85.02909	2.9
85.06528	0.7
91.05491	9.1
91.06043	1.0
93.07048	18.9
93.07637	1.0
95.04990	4.0
95.08609	5.5
97.02882	1.9
97.06535	3.8
97.10139	1.0
99.04457	1.9
105.07039	6.8
107.04974	5.2
107.08600	11.0
109.02899	0.6
109.06517	6.3
109.10159	1.4
111.04441	1.6
111.08128	1.2
112.08758	1.2
117.07018	5.9
119.08591	6.1
121.06535	2.3
121.10149	6.8
123.08060	7.2
125.05988	0.9
125.09615	0.7
129.07085	0.8
130.07777	1.0
131.04880	0.5
131.08578	2.3
133.10132	2.0
135.08076	1.4
135.11702	10.2
137.09605	1.4
143.08583	0.9
145.06477	0.8
145.10141	11.8
147.08083	1.7
147.11655	0.5
148.58763	0.5
149.09676	0.6
153.12758	2.0
155.08540	0.8
161.13644	0.6
163.11185	21.1
168.27292	0.5
173.09630	2.9
181.12221	2.7
189.05446	1.5
191.10680	2.4
209.11758	7.1
216.65288	0.5
227.12788	4.0
256.50626	0.5
283.15402	100.0
485.25812	1.1
491.26431	32.0
503.26733	5.8
511.76334	0.6
521.27863	0.8
526.27759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2308
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
50.13332	0.3
55.05508	0.3
69.03425	1.0
69.07059	0.6
69.29166	2.7
79.05485	0.4
81.07033	0.5
85.02911	0.8
87.04450	0.4
93.07078	0.4
95.08605	0.6
97.02882	0.5
98.97593	0.7
107.08613	0.7
109.10183	0.7
110.97601	0.3
115.03925	0.5
121.10152	0.7
122.10490	0.5
133.04967	0.5
133.10146	0.5
137.09621	0.6
147.04472	0.5
152.41284	0.3
163.04050	0.3
177.16400	1.6
178.16777	1.4
191.03368	0.4
191.14278	0.6
195.17427	0.8
196.17793	0.4
213.18544	1.4
214.18951	0.8
241.01242	0.3
271.10260	1.2
271.60355	0.5
288.03397	0.3
333.08047	0.5
335.09491	2.7
358.28940	0.4
393.18729	0.9
421.06021	0.4
435.20264	0.4
525.23120	100.0
526.23444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.2
55.01878	20.0
55.05514	53.4
56.96572	5.0
57.03445	13.5
57.07072	8.1
59.04987	12.0
61.02924	4.8
65.03938	9.1
67.05507	84.9
69.03436	10.7
69.07068	28.3
71.01352	4.6
71.04994	31.1
71.53596	2.7
73.02921	8.6
79.05498	91.0
81.02932	4.4
81.03416	74.7
81.07056	86.2
83.04989	26.6
83.08623	32.6
85.02911	13.5
85.06548	17.1
87.04469	4.2
91.05484	73.8
93.07047	72.7
95.04974	40.3
95.08612	48.4
97.02905	9.2
97.06540	23.8
97.10178	22.0
97.80876	2.3
98.15737	2.5
99.04464	4.1
99.08114	2.6
105.07034	50.6
107.04964	22.2
107.08601	54.5
109.02906	7.2
109.06494	15.1
109.10168	23.8
111.04436	17.6
111.08065	15.9
113.06046	2.6
115.05457	5.4
117.07034	17.0
119.08585	49.1
121.06538	10.6
121.10143	62.3
123.04462	7.0
123.08105	8.0
123.11733	5.1
125.06029	4.5
125.09617	21.6
127.03889	2.4
129.07007	20.5
130.07820	2.7
131.04965	3.1
131.08583	31.8
133.06549	5.9
133.10132	34.2
135.04460	7.0
135.08031	12.6
135.11693	28.0
137.06007	6.2
137.09660	7.8
139.07542	4.2
139.11212	2.6
141.07059	2.9
142.07790	4.8
143.08598	7.0
145.06517	4.4
145.10127	22.1
147.08060	10.1
147.11670	29.9
149.02336	3.1
149.05940	3.0
149.09637	34.9
149.13362	3.6
151.11223	3.2
153.09160	8.0
153.12805	8.9
155.08618	4.1
155.74312	2.3
157.10136	19.2
159.11731	6.7
161.09698	3.1
163.03960	3.6
163.11197	27.3
163.73880	2.7
165.12811	7.1
167.10732	4.5
169.10237	6.1
171.06561	3.4
171.11693	4.4
173.09680	6.9
173.11873	3.2
173.13284	5.5
175.11188	23.1
177.12749	3.2
181.12204	11.5
182.83463	2.5
183.11757	3.2
185.13353	5.2
187.07652	3.1
187.11270	3.6
189.05528	4.2
189.11252	13.6
189.12793	3.2
191.10690	14.5
191.14381	2.7
193.12238	51.4
197.13365	3.3
197.15515	7.3
199.13347	7.4
205.12268	3.5
209.11649	17.7
211.13278	61.9
219.13734	3.1
223.13249	5.6
225.14912	14.4
227.12770	20.1
231.13857	6.6
249.14870	14.3
253.14331	3.0
259.15564	7.3
267.08936	11.6
267.15918	21.9
269.10721	3.9
283.15411	15.9
285.10068	12.0
299.15237	3.0
299.61307	2.6
303.16156	2.8
315.09869	3.5
337.21750	6.0
355.22940	6.6
365.21231	8.1
373.23965	9.6
383.22186	18.2
391.25076	3.0
401.23175	25.5
409.25748	3.3
415.24954	5.9
419.24472	6.4
421.25931	2.6
429.17099	11.1
433.25897	16.8
447.27463	3.8
451.27133	3.9
453.24792	3.5
457.25833	6.5
475.26810	27.0
489.28809	5.7
493.28131	24.1
507.29642	71.1
525.30780	100.0
530.94525	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01871	4.4
55.05511	17.8
56.96550	6.1
57.03422	2.9
57.72099	1.9
61.02913	3.7
62.88160	2.3
65.03934	3.0
67.05506	24.2
69.03427	9.7
69.07082	13.2
70.01883	8.0
70.02274	3.6
71.04986	3.1
73.02916	4.9
79.05498	21.3
81.03412	3.1
81.07058	47.3
82.03777	2.4
83.04983	27.9
83.08621	5.9
85.02900	7.3
85.06532	2.7
91.03999	2.7
91.05480	21.6
93.07044	41.0
95.04966	9.4
95.08604	53.4
95.09185	3.9
97.06528	5.5
97.10147	3.9
98.20766	2.5
98.97588	2.3
99.04457	3.0
105.07042	34.7
107.04943	2.9
107.08602	50.6
109.06515	7.5
109.10152	27.0
111.04459	2.5
111.08090	4.2
115.05496	2.3
117.07008	10.0
117.23508	2.2
119.07814	3.7
119.08587	43.8
121.06459	4.7
121.10143	29.8
123.08070	24.1
123.11699	6.8
125.05981	3.5
125.09611	4.4
129.07033	7.0
131.08557	22.8
133.10120	30.8
135.08008	2.6
135.11688	26.5
137.09622	3.1
143.08585	12.2
145.10112	30.3
147.08084	2.5
147.11681	24.0
149.09639	4.5
149.13226	13.3
155.08566	3.3
157.10118	16.2
159.11684	25.1
161.09601	4.1
161.13252	16.5
163.03987	2.4
163.11211	6.0
163.14813	4.7
167.07170	2.8
167.10684	3.7
169.08623	13.9
169.10060	4.3
171.11716	10.3
173.13240	15.8
175.11261	5.1
175.14865	8.4
177.12799	3.3
179.10667	2.3
181.10088	3.5
181.12204	3.0
183.11700	5.6
185.13280	8.2
187.14886	10.0
189.12767	3.2
189.16414	5.0
191.14056	2.3
193.12271	5.6
195.11765	2.4
195.13794	5.5
197.13298	6.2
199.14792	10.5
201.12793	2.6
201.16457	5.4
203.14305	3.1
207.13737	3.9
209.13405	2.8
209.15329	3.4
211.14890	4.7
213.16406	8.2
215.14221	3.1
215.17911	5.7
217.15685	3.2
219.13718	3.4
221.15451	4.2
221.41727	2.3
225.16318	2.8
227.17914	2.7
229.15945	2.8
231.17616	3.6
233.15387	4.9
235.16911	5.0
241.19464	2.9
245.18973	2.8
251.17856	3.1
255.09081	3.8
255.17619	2.6
269.10660	2.3
283.08588	4.5
283.15442	4.9
301.09567	5.4
315.09970	5.3
327.23328	3.7
329.24640	11.8
345.24316	3.4
347.25769	13.0
379.26450	5.2
397.27454	8.0
410.20898	2.5
415.28271	3.1
419.15588	4.0
423.32648	5.5
428.16031	6.2
429.12332	2.7
435.32535	12.1
437.16962	2.5
441.33560	8.0
442.29059	2.3
453.33582	30.5
471.34723	100.0
489.35611	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	524.3712
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.80007	0.3
55.05506	0.7
56.05032	1.4
57.03438	1.2
57.07076	3.9
58.06575	1.8
59.07390	0.4
60.08164	16.6
64.90939	0.3
67.05483	1.5
69.07055	0.7
69.46986	1.6
69.47392	0.5
71.07377	5.9
71.08637	2.9
79.05491	0.7
80.89707	0.3
81.03440	1.6
81.07043	1.8
82.03754	0.8
83.08622	1.3
84.08913	0.4
85.02910	0.4
85.10186	1.3
86.09706	49.0
91.05488	0.7
91.98183	0.3
92.93700	0.3
95.04986	0.4
95.08609	1.4
97.10197	0.3
98.98460	3.7
104.10745	96.3
105.07008	0.3
109.10201	0.7
121.10212	0.3
123.56909	0.3
125.00007	26.1
129.06975	0.4
146.93666	0.3
153.85049	0.3
163.01566	0.9
184.07341	100.0
193.12155	0.7
194.12639	0.6
211.13246	0.6
212.13509	0.4
253.63986	0.3
258.10983	1.3
267.15759	0.4
268.16232	0.6
313.27292	0.5
314.27722	0.7
341.30527	1.4
447.28604	0.4
506.35934	9.2
524.37036	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
55.05500	4.0
57.03418	4.8
61.02909	3.7
65.02401	1.1
66.48067	1.1
67.05505	1.7
69.03151	1.0
69.03432	10.6
69.07053	5.3
70.99661	2.2
70.99991	1.8
71.01356	1.4
71.04965	1.5
73.02920	19.4
79.05470	2.5
81.03418	1.8
81.07050	7.5
83.08612	5.0
85.02905	21.6
87.04476	1.4
91.05449	2.0
93.07053	8.8
95.08604	19.7
96.87279	1.2
97.02898	17.1
97.10162	2.7
99.08103	12.9
105.07027	1.8
107.08604	20.9
108.05472	1.1
109.02879	1.8
109.10157	4.9
109.46390	1.2
111.08054	4.3
115.03921	6.8
119.08536	1.2
121.10140	34.7
123.11761	1.8
125.09619	2.8
127.03952	7.5
133.04982	9.6
135.11700	6.7
137.13222	4.9
145.04976	7.3
149.13248	3.3
163.06009	5.6
175.14816	1.2
175.72820	1.3
177.16391	100.0
195.17447	19.6
207.17549	1.3
213.18504	48.0
223.05872	1.7
241.07057	2.1
259.08090	4.5
271.10089	1.4
295.10239	2.7
309.20627	1.2
345.22644	1.7
357.22659	1.5
524.23004	1.5
525.22974	2.1
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
50.81751	0.5
53.03932	1.9
55.01873	1.0
55.05243	0.7
55.05510	11.8
57.03440	5.9
57.07076	31.9
65.03936	1.0
67.05504	21.8
67.48005	0.6
69.03410	1.7
69.07066	8.9
69.70361	3.4
71.04980	2.6
71.08238	1.0
71.08630	21.2
79.05495	12.8
81.03417	33.3
81.07056	25.5
83.04980	5.8
83.08617	17.6
85.02905	17.4
85.06520	1.3
85.10181	10.9
91.05481	14.3
93.07045	8.5
95.04967	13.5
95.08609	22.9
97.02872	1.6
97.06536	1.7
97.10171	6.1
99.08115	0.6
105.07031	11.7
107.04958	2.7
107.08594	3.1
109.06543	2.7
109.10150	8.8
111.04463	1.0
111.08092	4.7
111.11694	0.6
113.05981	1.3
115.05454	1.0
119.08586	9.2
121.06474	0.8
121.10146	5.2
123.08121	0.9
123.11720	4.2
129.07027	5.9
131.08572	4.0
133.06516	1.3
133.10124	3.6
134.13217	0.5
135.11732	0.6
137.09624	0.9
137.13255	1.6
139.14731	0.6
142.07776	1.7
145.10081	0.8
147.08078	1.1
147.11691	6.5
149.09622	2.6
157.10123	6.5
165.12735	2.3
167.87029	0.6
175.11195	6.9
193.12244	25.0
211.13287	30.5
230.86862	0.7
239.23665	4.6
249.15030	1.0
267.15894	7.4
276.34073	0.5
311.73880	0.6
313.27338	6.2
342.51950	0.6
505.38739	4.8
523.39935	100.0
524.40375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.05513	14.3
57.03433	21.2
57.07072	45.0
67.05502	31.3
67.93684	2.4
69.03420	2.4
69.07055	9.6
69.29035	19.7
71.04984	3.4
71.08633	36.1
78.25221	1.9
79.05497	20.3
79.59794	1.9
81.03417	100.0
81.07050	30.1
83.04944	6.3
83.08616	29.7
85.02895	3.4
85.10197	14.6
91.05484	19.5
93.07053	10.7
95.04961	24.8
95.08612	26.4
97.10156	8.0
105.07041	17.3
107.04956	6.7
107.08589	2.2
109.06508	3.6
109.10146	13.3
111.08063	7.5
113.12415	1.9
119.08559	9.9
121.06501	3.9
121.10134	6.4
123.11700	4.2
129.06996	6.6
131.08554	9.3
137.09621	2.6
141.35571	2.2
147.08057	3.1
147.11668	8.6
149.09590	3.7
157.10153	10.7
165.33353	2.1
174.24120	2.0
175.11154	11.9
183.59949	2.1
184.07285	4.1
193.12247	47.0
211.13254	11.5
233.19981	1.9
239.23698	4.4
249.14799	4.5
267.12997	4.8
267.15906	95.2
313.27350	93.0
317.54654	2.0
505.38943	66.2
523.32745	3.4
523.39880	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01867	1.4
55.05512	10.8
57.03437	5.6
57.07077	31.4
58.20720	0.4
65.03939	0.5
67.05507	21.2
68.10225	0.4
69.03445	1.9
69.07069	8.7
71.01353	0.5
71.04984	2.6
71.08631	21.1
79.05495	11.7
80.36191	0.4
81.03420	33.6
81.07057	24.6
83.04984	5.3
83.08620	19.0
85.02905	15.9
85.06535	0.9
85.10183	11.1
91.05482	15.3
91.20996	0.4
93.07040	8.5
95.04974	10.6
95.08610	21.6
97.02895	1.7
97.06514	1.3
97.10170	5.2
98.03049	0.4
99.08076	0.7
99.11740	0.5
105.04536	0.5
105.07027	10.2
107.04970	3.0
107.08596	4.1
109.06519	2.2
109.10156	8.8
111.04423	1.3
111.08080	4.7
111.11739	0.7
113.06004	1.3
115.05480	0.6
117.07034	0.7
119.08583	9.9
121.06550	0.8
121.10133	4.3
123.08057	1.0
123.11723	4.6
125.13194	0.6
129.07013	5.5
131.08572	5.2
133.06480	1.7
133.10123	4.0
137.09616	1.0
137.13286	1.5
142.07703	1.0
145.10120	0.6
147.08070	1.6
147.11676	6.6
149.09610	3.5
151.11108	0.5
151.14882	0.7
157.10130	6.5
165.12804	1.3
165.16431	0.4
171.10683	0.4
175.11189	6.4
193.12244	27.2
211.13290	32.8
221.22865	0.6
229.14365	0.5
234.98157	0.4
239.23706	5.2
249.14912	1.2
267.15909	6.1
285.16916	0.5
303.30569	0.4
313.27402	7.1
326.19714	0.4
343.99646	0.4
505.39044	3.9
523.39960	100.0
524.08502	0.4
524.40039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01859	2.0
55.05516	13.8
57.03442	20.5
57.07080	45.2
67.05505	31.5
69.03451	3.1
69.07080	11.7
71.08633	29.6
74.46545	1.9
79.05512	12.5
81.03422	100.0
81.07054	31.7
83.04990	4.6
83.08633	26.9
85.02885	4.6
85.10188	18.0
91.05479	20.9
93.07065	9.7
95.04971	24.1
95.08611	27.9
97.06526	3.7
97.10179	5.8
103.07528	2.4
105.07056	9.7
107.04957	5.8
107.08601	6.2
109.06509	3.1
109.10178	13.2
111.04481	2.4
111.08125	5.3
115.05452	3.3
119.08582	13.4
121.06478	3.6
121.10138	5.2
123.11699	3.3
129.07010	9.1
131.08565	8.7
133.10146	6.3
147.08084	2.4
147.11708	4.3
149.09656	4.2
157.10138	8.7
175.11198	8.5
179.14333	2.3
193.12259	45.8
211.13258	7.5
229.14307	3.4
239.23746	6.5
239.92389	2.1
249.14874	3.5
267.15936	97.8
277.21426	3.6
313.27380	96.7
319.95374	2.0
328.72595	2.3
346.95731	2.3
505.39084	62.3
523.39984	22.9
538.31940	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
54.09054	0.6
55.01871	1.5
55.05513	11.8
57.03439	5.0
57.07075	34.6
65.03941	1.5
67.05503	21.9
69.03436	2.6
69.07067	9.8
69.73198	4.4
70.81546	0.6
71.04984	3.0
71.08633	24.9
79.05490	13.6
81.02934	1.6
81.03418	34.1
81.07055	26.7
83.04977	5.1
83.08618	18.6
85.02903	15.3
85.03378	1.2
85.06543	1.3
85.10184	11.8
91.05483	15.1
93.07043	8.9
95.04971	11.4
95.08611	22.0
97.02898	2.3
97.06532	1.5
97.10173	6.4
99.08120	0.8
99.11715	0.9
105.07036	10.7
107.04941	2.0
107.08607	2.6
109.06521	2.7
109.10164	11.3
111.04444	1.2
111.08090	5.2
112.32121	0.7
113.06015	1.5
115.05375	0.8
116.53440	0.6
117.07057	0.7
119.08582	10.2
119.14708	0.7
121.10150	4.4
123.08060	1.0
123.11722	4.6
129.06973	4.6
131.08551	5.3
133.06537	1.5
133.10132	4.7
137.09625	1.0
137.13266	1.5
142.07756	1.0
145.10170	1.1
147.08147	1.1
147.11708	6.9
149.09613	2.7
157.10123	6.7
165.12822	1.2
175.11174	8.1
193.10428	1.1
193.12245	29.9
211.13292	30.5
221.22719	0.7
229.14301	1.4
239.23705	5.2
249.14830	1.0
256.20230	0.8
267.15909	8.8
313.27359	10.3
324.71176	0.8
333.23340	0.7
380.85077	0.7
385.42383	0.8
505.39133	5.8
523.39960	100.0
524.40216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93853	3.1
53.03946	4.9
55.01861	4.2
55.05512	16.8
56.96573	4.9
57.03419	3.8
57.07065	4.6
61.02922	3.3
67.05511	37.6
69.03434	13.0
69.07081	43.4
69.38556	21.7
70.06598	22.7
71.04993	8.5
73.02918	4.1
77.23621	3.0
79.05502	28.5
80.96941	3.3
81.03417	8.0
81.07064	100.0
82.62222	3.1
83.04991	6.0
83.08617	14.4
84.08114	3.3
85.02901	17.8
85.06534	8.0
86.09707	7.6
91.05491	20.8
93.07043	60.5
94.94464	3.6
95.04986	10.7
95.08616	96.3
97.02888	18.5
97.06516	8.7
97.10162	10.3
97.16509	3.4
98.97605	6.4
99.08104	3.8
103.05424	3.9
105.07040	43.3
107.04962	4.3
107.08601	46.9
109.02886	6.6
109.06501	7.3
109.10158	70.5
111.08037	5.7
111.11715	6.6
113.05983	3.7
117.07018	6.2
119.04934	3.4
119.08587	34.2
120.08125	5.3
120.08901	4.1
121.06543	6.9
121.10153	46.6
122.03622	4.3
123.08085	6.2
123.11704	46.7
125.05981	4.4
125.09631	3.7
127.03905	10.5
127.08685	6.3
130.04996	5.5
131.08571	7.9
133.10130	30.3
134.10466	8.7
135.04460	4.8
135.11697	31.5
137.02370	20.1
137.06006	12.7
137.09616	7.7
137.13261	26.3
139.11176	8.1
145.02846	3.7
145.04968	4.0
145.10120	13.7
147.04413	8.3
147.08015	3.5
147.11714	28.9
149.09589	9.4
149.13260	20.5
151.03912	3.4
151.07605	3.5
151.11166	7.9
151.14832	6.5
153.12750	4.3
155.08328	4.4
159.11681	10.6
161.13284	13.5
163.03925	13.6
163.14819	12.5
165.09091	3.9
165.12701	4.2
173.13243	5.3
175.14854	18.7
176.15123	9.7
177.05484	13.9
177.12810	4.0
177.16400	13.3
179.14333	5.7
187.14734	6.1
188.07025	4.9
189.09117	3.5
189.16406	11.9
191.10635	4.2
191.17993	7.8
193.15923	5.8
201.16394	5.7
203.17979	8.1
207.06409	4.1
211.16876	3.7
215.17969	8.2
219.01724	5.0
221.12970	4.6
229.04926	6.9
229.15549	13.5
245.22601	3.9
271.24133	32.0
277.25400	4.1
285.03955	3.0
286.17557	4.1
289.25266	28.5
294.12054	7.1
295.26309	4.8
303.04868	3.6
307.26331	31.5
307.63306	3.1
317.11273	6.7
325.27432	28.4
345.05994	5.1
346.06833	37.8
361.09183	78.2
463.66602	3.2
479.22708	4.5
523.17206	17.5
523.85663	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2759
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
55.01863	2.3
55.05494	4.4
57.03424	3.8
57.07071	2.2
67.05499	11.2
69.03412	5.5
69.07050	7.9
70.80283	2.7
70.80595	3.2
71.04982	3.0
73.02930	10.6
73.86827	1.7
78.21056	1.8
78.88464	2.2
79.05476	3.2
81.07049	7.6
83.04977	8.5
83.08617	2.1
85.02903	13.7
85.06551	3.9
87.04512	2.7
91.05460	2.6
93.07034	12.9
95.04979	39.7
95.08622	17.4
97.02876	6.9
97.06511	2.2
98.97592	2.1
99.04509	2.4
99.08097	31.7
101.05994	2.5
105.07021	2.5
107.08592	16.2
109.06523	3.9
109.09476	3.2
109.10163	40.7
111.08112	2.2
115.03905	4.8
119.08601	9.0
121.10136	4.8
123.11716	5.0
127.03870	2.8
127.11152	2.7
133.04956	2.9
133.10130	11.8
135.11708	28.8
137.09613	31.8
145.04886	3.8
147.04311	2.4
149.09671	4.3
153.12740	14.4
154.04974	5.4
155.10670	19.8
163.03896	14.4
165.16348	3.0
171.13794	8.1
175.14882	15.4
193.14246	3.1
193.15906	52.2
209.15434	7.0
210.15720	3.1
211.16954	100.0
229.18077	14.3
235.16879	2.5
253.17934	3.8
295.18942	2.8
297.75729	1.8
304.62173	1.9
319.19113	2.3
337.20068	4.5
343.21078	4.7
355.21014	2.6
373.22287	5.0
381.23987	2.1
523.21106	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	523.2752
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
53.03953	1.7
55.01869	1.3
55.05510	10.1
56.96581	1.0
57.03432	4.2
57.07071	1.6
59.04986	3.0
61.02920	1.1
65.03943	1.7
67.05507	8.2
69.03430	12.5
69.07070	9.9
70.06593	3.6
71.04994	3.3
71.56007	1.3
73.02921	4.8
79.05497	5.2
81.03413	2.8
81.05792	1.0
81.07058	11.7
82.93236	1.1
83.04987	12.5
83.08617	10.9
85.02908	12.6
85.06550	6.6
87.04459	4.3
90.63181	1.0
91.05479	7.0
93.07046	9.5
95.04975	3.8
95.08601	9.3
97.02904	9.4
97.06525	4.2
97.10143	1.8
98.97566	1.8
99.04507	1.9
99.08095	4.9
101.06001	2.3
103.70365	0.9
105.07036	6.3
107.08603	11.5
109.02876	2.6
109.06537	2.0
109.10159	27.5
111.08084	3.0
113.06026	1.0
115.03913	5.2
117.07041	1.2
119.04942	8.0
119.08566	4.5
120.08095	1.2
121.10165	5.7
123.11714	13.8
125.09636	4.8
127.03925	2.5
127.11196	10.2
131.04852	1.0
131.08603	1.7
133.04950	4.7
133.06477	1.3
133.10159	5.9
135.04436	1.8
135.08026	1.7
135.11702	6.8
137.05980	7.1
137.09621	2.4
137.13243	1.8
139.11093	1.0
145.02838	1.7
145.04967	2.5
145.10094	2.2
147.04419	40.5
147.11697	4.3
149.13232	5.9
151.07542	2.4
151.11165	4.9
153.12753	1.1
155.10658	1.5
159.11681	1.5
161.05951	1.9
161.13290	1.4
163.03918	9.8
165.05446	2.7
165.09207	1.1
167.07001	1.1
167.14331	12.3
169.12265	15.0
175.14824	5.9
176.15152	1.2
177.05560	1.7
178.33405	1.0
179.07043	3.5
185.15335	9.5
187.43675	1.1
189.05592	1.3
193.15894	6.4
198.58960	1.0
207.06599	1.3
209.15462	1.2
211.16940	52.1
219.01854	1.1
229.17992	100.0
238.20317	1.0
241.07188	1.4
259.09869	1.5
271.24106	1.1
289.25140	2.5
291.08881	1.2
291.17297	1.2
307.26254	2.7
309.09778	2.0
325.27216	1.1
412.89478	1.1
523.21484	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3558
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05506	1.6
56.05033	1.8
57.03438	0.8
57.07070	0.6
58.06607	1.6
60.08166	16.3
67.05504	1.3
69.07079	1.9
71.07378	6.5
71.41142	0.8
73.00728	0.3
79.05487	0.7
79.89034	0.4
81.07059	1.6
83.08607	1.1
86.09708	50.2
93.07047	0.7
95.08616	1.6
97.10182	0.6
98.98475	4.3
104.10748	97.9
104.58839	0.4
107.08582	0.5
121.10125	0.6
125.00011	27.5
127.24687	0.3
149.84288	0.4
163.01581	1.0
166.06361	0.4
181.02509	0.4
183.91110	0.5
184.07349	100.0
258.11090	0.8
339.29037	1.4
393.99338	0.4
504.34540	10.3
522.35565	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
56.05028	0.5
57.03438	0.2
57.07056	0.2
58.06626	0.4
59.07391	0.1
60.08162	5.8
67.05513	0.4
69.07049	0.4
69.29071	0.6
69.29476	0.2
70.06586	0.1
70.67086	0.1
71.07373	2.9
71.07761	0.2
79.05502	0.2
81.07047	0.3
83.08626	0.3
86.09702	27.8
93.07047	0.2
95.08611	0.2
97.10206	0.1
98.97974	0.1
98.98459	2.8
104.10738	2.9
107.08590	0.1
109.10163	0.2
121.10126	0.2
124.99997	18.5
132.81235	0.1
151.37119	0.1
153.38458	0.1
181.28476	0.1
184.07332	100.0
185.07617	0.1
258.11041	0.2
339.29050	0.1
504.34497	1.1
522.35449	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	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.0
57.03435	0.7
57.07076	1.3
57.17503	0.6
63.14225	0.6
67.05493	3.7
69.03413	2.5
69.07057	4.7
69.76141	0.6
70.46556	2.3
71.04977	0.9
71.38322	0.7
73.02901	2.2
73.87844	0.6
74.63828	0.7
79.05486	3.0
81.03409	0.9
81.07058	4.3
83.04964	0.7
83.08630	1.5
85.02926	3.2
85.06502	1.4
86.09704	1.9
87.04475	0.7
91.05471	4.0
93.07045	5.8
95.08054	1.2
95.08607	12.5
97.02895	2.6
99.08105	1.2
102.05530	0.8
105.07040	14.4
107.08588	7.5
109.02844	0.7
109.10160	10.3
115.03928	1.9
117.07014	1.1
119.08582	35.2
120.08079	1.5
121.10135	3.1
123.11700	1.4
127.03959	1.0
131.08531	1.0
133.04913	1.5
133.10133	40.7
135.11687	12.5
136.07573	0.7
137.09622	5.8
145.04921	1.2
145.10147	2.5
147.11684	7.9
149.13249	2.7
151.14825	2.7
160.12453	1.8
173.13269	2.6
175.14832	100.0
177.05458	0.9
193.12152	0.7
193.15881	22.3
201.52498	0.7
295.10004	0.7
399.63812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.05520	1.9
57.03427	0.6
57.07066	1.6
59.04996	0.6
60.94341	0.4
67.05499	4.1
69.03424	1.1
69.07069	5.2
71.55663	0.5
72.08140	0.6
73.02917	0.5
78.88834	0.4
79.05484	1.9
81.07056	3.2
83.08629	1.4
85.02893	0.9
85.06532	1.1
87.04451	0.7
91.05478	4.5
93.07029	2.7
95.04963	0.5
95.08609	14.5
97.02857	1.1
99.04478	0.9
105.07034	8.1
107.08597	3.9
109.06483	0.6
109.07167	0.5
109.10155	16.9
115.03934	1.5
115.05434	0.7
117.07018	0.9
119.08583	32.5
120.08064	0.8
121.10132	2.1
123.08052	0.7
123.11703	1.2
131.08528	0.9
133.04971	1.3
133.10133	37.9
134.10916	1.2
135.11685	7.9
137.09624	8.2
145.10121	1.7
146.10912	0.6
147.04323	0.5
147.11684	9.6
149.13245	2.3
150.07573	0.5
151.14854	3.2
159.11703	0.4
160.12474	2.1
173.13322	1.1
175.14825	100.0
177.05490	0.5
183.75049	0.4
193.15883	26.2
227.16432	0.5
288.05896	0.6
540.15662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.05508	10.6
57.03403	3.3
57.07059	2.6
63.22609	2.7
67.05496	9.2
69.03422	11.5
69.07072	19.3
69.23402	28.2
70.06597	3.6
71.04997	23.5
72.08136	3.1
73.02904	3.5
79.05502	23.8
81.03428	6.4
81.07059	100.0
83.08620	9.5
85.02454	3.5
85.02894	19.4
86.09699	3.7
87.00823	5.9
91.05486	15.6
93.07049	39.0
95.04970	4.7
95.08612	34.3
97.02888	9.9
97.06546	4.8
97.10135	4.0
99.08105	4.8
105.01871	16.8
105.07030	40.1
107.08598	48.6
107.75978	3.0
109.02866	4.3
109.10152	43.2
111.08171	3.0
111.60484	2.9
114.12809	42.1
117.07076	3.2
119.08588	89.8
121.10142	11.5
122.10472	3.4
123.11726	27.5
127.03918	13.2
127.11198	26.6
133.10130	57.7
135.11694	96.8
137.05936	4.7
137.13246	4.8
143.10663	11.9
145.04980	8.1
147.04401	12.4
147.11681	26.2
149.13269	9.7
153.12746	7.2
159.11667	4.7
161.13277	15.9
163.03873	6.3
163.14824	6.1
175.14792	12.5
193.15891	7.5
203.17973	73.5
203.19772	5.0
221.19008	72.7
231.04918	3.3
346.06824	5.3
361.09152	4.3
522.19818	5.1
522.32788	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	521.9318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	42.0
67.05495	80.2
69.07066	29.3
71.04970	22.6
79.05478	50.6
81.03415	61.0
81.07061	86.5
83.04955	25.8
83.08619	22.7
85.02895	25.1
91.05479	65.8
93.07037	69.0
95.04976	37.0
95.08572	53.3
98.97460	17.3
99.14034	17.3
105.07017	71.8
107.08570	40.7
109.10154	24.8
119.08578	46.0
121.10133	60.7
121.65704	18.8
131.08578	26.1
155.99773	18.5
163.11214	20.1
193.12219	27.6
211.13228	48.4
507.09302	18.4
521.31476	100.0
522.30994	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	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	0.6
53.03934	2.1
55.01870	2.8
55.05516	11.6
55.05775	0.4
57.03451	2.4
57.03666	0.5
57.07080	25.1
61.65934	0.4
63.41537	0.4
65.03925	1.2
67.05509	23.5
69.03417	1.2
69.06747	0.7
69.07072	10.0
69.25824	4.3
71.04968	1.9
71.08638	18.8
73.02893	0.8
77.03869	0.5
79.05497	21.5
80.67197	0.5
81.03415	3.0
81.07064	25.8
83.01315	0.5
83.04977	2.6
83.08627	12.4
85.02912	0.6
85.06547	1.1
85.10189	10.2
90.87201	0.5
91.05480	8.1
91.90761	0.4
93.07050	31.6
93.84518	0.4
95.04967	5.1
95.08613	40.8
96.79671	0.4
97.02887	3.5
97.06523	2.9
97.10172	4.5
98.20798	1.0
99.04476	2.8
103.05463	0.5
105.04449	0.5
105.07037	7.1
107.04953	8.2
107.08601	23.6
109.06484	1.8
109.10152	9.3
111.04434	1.2
111.08086	1.3
111.11686	0.8
113.06011	0.6
113.25401	0.5
115.05405	0.9
117.06244	0.6
117.07021	8.8
119.08579	8.3
121.06519	4.9
121.10147	9.6
123.08088	0.6
123.11726	2.5
125.05994	2.5
125.13280	0.5
129.06987	1.0
130.07774	2.0
133.10124	2.1
135.08121	2.3
135.11702	37.5
137.13188	0.9
143.08569	0.8
145.10132	22.7
153.12785	1.0
163.11189	47.4
166.21338	0.5
173.09622	0.8
181.12250	10.4
191.10664	0.9
209.11780	3.3
227.12793	100.0
239.23759	4.8
265.14529	0.5
313.27200	0.5
357.42603	0.5
395.29462	0.5
474.91531	0.5
521.38403	93.0
522.38861	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62809	1.0
53.03938	2.7
55.01851	2.4
55.05508	23.0
56.96569	2.6
57.03438	6.1
57.07067	7.4
63.98089	1.2
67.05505	34.5
69.03425	1.6
69.07066	28.4
69.27729	1.1
71.04984	3.9
71.08628	3.6
79.05491	25.9
81.03417	31.7
81.07054	38.6
82.44314	1.0
83.05002	6.1
83.08620	26.8
85.02907	14.7
85.06546	1.4
85.10175	1.8
86.09720	4.4
91.05479	16.8
93.07039	21.8
95.04963	12.8
95.08607	25.0
97.02873	2.2
97.06532	3.4
97.10162	11.2
98.21564	1.9
99.08121	1.3
104.10706	1.3
105.07024	10.3
107.04960	3.3
107.08600	10.0
109.06525	1.6
109.10163	10.1
111.04471	1.8
111.08094	4.1
111.11721	2.8
113.05996	2.0
117.07062	2.3
119.08566	8.2
120.00978	1.1
121.06537	2.3
121.10135	14.5
123.11718	5.1
123.81835	1.2
125.00026	2.5
129.06998	6.3
131.08577	5.3
133.10139	4.7
135.11739	7.8
136.93129	3.8
137.13287	2.1
145.10155	3.0
147.08049	1.5
147.11679	8.2
149.09586	2.8
149.13258	1.6
154.94189	5.8
157.10141	6.8
163.11198	2.8
165.12791	1.6
172.95265	8.1
173.16028	1.1
175.11238	6.0
184.07330	13.2
190.96300	1.4
191.10698	1.4
193.10474	1.4
193.12239	25.9
193.13887	2.1
209.11745	2.8
211.13261	30.2
219.21082	1.6
227.12802	1.6
228.97833	4.7
237.22243	4.9
246.99065	1.9
265.14273	1.4
267.15884	6.5
273.61118	1.4
311.25885	6.3
429.33649	2.8
447.18240	2.4
465.19186	2.8
503.37918	6.7
521.22162	9.0
521.38403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2595
Annotation	Premnaionoside
Peak:m/z	Relative Intensity
55.05506	2.0
57.03411	1.1
61.02904	1.0
67.05504	1.5
69.03437	4.0
69.07057	2.4
70.08873	2.9
71.04982	1.5
73.02929	4.3
79.05495	1.1
80.02243	0.7
81.03420	1.0
81.07045	2.8
83.01387	3.8
83.04964	3.4
83.08622	1.0
85.02904	8.4
85.06539	2.0
91.05470	1.6
93.07032	2.7
95.04973	1.0
95.08602	2.7
97.02894	3.7
97.06511	2.2
98.21489	1.0
99.04456	1.5
99.07494	1.4
99.08099	17.1
101.06023	4.0
105.07021	2.3
107.08590	6.9
109.06505	1.8
109.10150	3.2
111.08090	2.4
118.69830	0.8
119.08575	0.8
121.06508	0.9
121.10160	10.0
123.08063	0.8
123.11742	1.6
125.09662	5.2
127.03899	1.5
131.08556	2.4
133.10135	10.6
135.08043	3.9
135.11705	3.2
137.09647	3.4
137.13245	0.8
139.07521	4.0
139.11192	3.3
144.09369	0.9
145.04959	1.4
147.11664	1.2
149.09627	13.0
149.13222	3.5
151.11203	5.0
153.09148	2.9
155.10674	0.9
163.14780	5.0
165.12761	0.9
167.10728	0.7
173.13275	5.8
181.15874	3.2
191.14316	14.4
191.15924	1.4
209.15379	100.0
227.16437	37.3
246.69077	0.9
521.20117	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02376	0.5
69.03415	1.1
71.15836	0.8
78.34161	0.4
79.05460	0.7
81.03401	1.7
85.02885	1.5
89.03918	4.3
91.05486	0.6
95.08590	0.5
97.02893	0.9
103.05465	1.0
107.04964	0.5
109.02882	0.4
117.03375	13.4
126.37579	0.5
131.04950	1.5
134.03610	0.9
135.04451	0.6
145.02849	41.2
149.05992	6.0
158.99582	0.4
163.03912	1.1
163.07471	0.5
177.05470	100.0
186.05637	0.5
195.06520	0.9
209.08084	1.6
241.14395	0.4
294.44910	0.5
321.09796	2.5
339.10785	5.4
440.81534	0.5
471.11789	0.5
521.12592	0.8
521.20648	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2596
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
51.01904	1.1
51.64095	1.3
55.01853	2.6
55.05498	4.5
57.03414	3.9
61.02907	2.6
67.05485	4.5
69.03431	11.4
69.07093	2.7
69.07446	1.2
69.62942	6.0
70.06596	2.1
71.01344	1.7
71.04977	4.7
73.02902	8.6
79.05464	3.2
81.03406	1.9
81.07036	5.4
83.04967	4.2
83.08604	3.4
85.02909	17.7
85.06539	3.5
87.04470	3.0
89.30255	1.2
91.05466	4.1
93.07018	6.1
95.04965	63.3
95.08614	6.8
97.02892	12.1
97.06504	4.8
97.10172	2.1
98.97601	2.3
99.04443	20.4
99.08067	1.7
103.05470	10.6
103.81831	1.4
105.07027	6.8
107.08579	8.4
108.83253	1.3
109.02867	1.6
109.06481	7.6
109.10144	9.7
111.08080	3.8
113.06036	1.6
115.03883	4.8
115.07569	1.4
119.04982	1.7
119.08570	3.7
121.06512	3.2
121.10146	9.1
123.08064	3.5
123.11733	2.6
123.63169	1.2
125.09640	10.4
127.03878	5.0
131.04938	18.0
131.08549	4.0
133.04955	3.7
133.10130	15.6
134.09659	7.2
135.08020	3.5
135.11710	2.2
137.05986	2.2
137.09567	2.2
137.94447	1.2
145.04945	5.0
145.10089	1.6
145.13875	1.2
147.04359	4.2
147.11676	7.0
149.05936	2.3
149.09601	12.6
149.13245	3.0
151.11266	6.1
153.09096	28.9
161.05937	2.7
163.03923	12.3
163.07564	6.2
163.14838	3.5
165.12755	5.2
167.14307	2.7
171.11627	1.4
173.13257	5.4
175.03815	1.6
177.05492	3.5
179.06987	1.4
189.12827	1.4
191.14333	13.9
192.14604	1.9
195.07881	1.4
207.06616	1.8
207.13779	5.2
208.14166	2.2
209.08080	1.5
209.15367	100.0
227.16396	32.6
252.09370	1.9
259.08215	1.6
261.09921	3.6
491.90414	1.3
521.12408	13.2
521.20581	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	521.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43733	0.8
71.39922	1.3
82.99837	2.4
85.02891	1.0
101.00885	20.2
113.00858	1.1
115.02348	1.2
119.01155	1.4
119.01926	18.1
119.04913	1.0
120.62566	0.8
127.02385	3.1
131.01897	1.4
133.03459	2.3
137.02950	1.1
139.02420	6.7
143.01903	12.9
145.03462	6.3
157.03461	27.2
157.40732	0.8
161.02954	6.2
163.04565	6.2
169.03427	1.7
173.02922	1.9
175.04530	8.0
178.97124	1.7
178.99237	2.1
181.05550	1.7
187.04463	2.3
196.99185	0.9
203.05295	1.5
205.05583	18.5
223.06627	93.6
224.06911	1.1
239.00180	1.3
239.04237	1.8
241.07671	13.4
246.08311	1.9
246.82854	0.8
249.08260	5.8
259.09192	0.9
265.07632	3.6
277.07697	29.5
279.05630	1.7
279.09280	2.8
293.07111	1.2
295.08661	0.9
300.64844	0.8
303.05707	3.9
321.06699	25.9
321.10437	0.8
339.07742	100.0
341.07443	0.9
365.10580	4.9
387.13464	32.3
387.18472	1.7
521.14471	1.3
521.21899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
51.87592	0.2
55.05523	0.9
56.05038	1.2
56.96550	0.4
57.03419	0.4
58.06567	1.3
59.07378	0.2
60.08164	16.1
64.59204	0.2
67.05504	3.4
69.07068	1.5
69.85795	1.1
71.07374	6.9
71.08632	0.2
74.96716	0.2
79.05487	1.0
81.07062	3.6
83.04966	0.3
83.08602	0.6
86.09705	49.5
91.05458	0.6
93.07064	1.2
95.08612	2.5
97.10145	0.2
98.21580	0.3
98.98466	3.9
104.10742	88.3
105.07019	0.7
107.08594	0.5
109.10121	1.0
111.08012	0.2
119.08552	0.4
121.10146	0.5
123.11745	0.4
125.00001	29.0
133.10141	0.5
135.11644	0.3
145.10075	0.2
147.11568	0.3
147.44511	0.2
147.85468	0.2
149.13167	0.2
152.57671	0.2
156.75722	0.2
163.01521	0.4
170.08800	0.2
184.07336	100.0
184.63318	0.2
198.64813	0.2
212.92497	0.2
231.21117	0.3
249.22345	0.2
258.10989	0.7
323.25894	0.3
337.27325	0.7
347.15424	0.3
411.75333	0.2
443.25528	0.4
502.32886	7.7
520.33972	33.8
521.34076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58001	0.1
55.05507	0.3
55.25720	0.1
56.05038	0.5
57.03435	0.2
58.06626	0.5
59.07413	0.2
59.68377	0.1
60.08167	5.7
66.81334	0.1
67.05508	0.6
69.07082	0.4
69.89153	0.4
70.06568	0.1
71.07374	3.0
71.46159	0.1
79.05514	0.1
81.07059	0.5
83.08632	0.1
86.09710	28.3
93.07039	0.1
94.19962	0.1
95.08607	0.3
98.98465	2.8
104.10750	2.9
105.07066	0.1
109.10152	0.2
117.44965	0.1
125.00010	19.8
125.70683	0.1
133.83675	0.1
134.15149	0.1
141.30112	0.1
152.55800	0.1
184.07349	100.0
185.07651	0.1
190.76077	0.1
246.61494	0.1
258.11066	0.3
337.27487	0.2
460.14429	0.1
502.32877	1.2
520.33997	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01851	1.1
55.05498	1.0
57.03443	2.6
57.07067	0.8
59.04987	0.5
61.02908	1.3
65.03940	0.5
67.05494	1.8
69.03429	30.6
69.07079	2.2
69.61024	0.6
69.61444	2.4
71.01318	0.7
71.04990	0.7
73.02918	6.8
73.71988	0.4
76.96787	0.4
79.05476	1.4
81.03393	1.0
81.07047	3.0
81.67889	0.4
83.04981	2.3
83.08588	0.6
85.02903	11.1
85.06517	1.6
87.04435	0.9
88.07012	0.4
91.05475	1.6
93.07032	1.7
95.04949	0.6
95.08604	5.3
97.02898	7.1
97.06542	2.4
105.03391	0.5
105.07030	2.2
107.08595	8.2
109.02889	1.6
109.06526	3.3
109.10162	2.2
111.08071	1.8
114.12806	0.6
115.03925	2.8
119.08582	2.5
121.06482	1.1
121.10138	6.5
123.08070	2.2
123.11690	3.9
123.89833	0.4
125.09632	14.6
127.03936	2.7
131.08577	3.3
133.04965	1.9
133.10141	3.4
135.08051	7.8
135.11682	3.3
137.09625	0.6
143.08527	0.7
145.04962	3.0
145.10139	1.6
147.04445	0.5
147.11707	2.5
149.09628	4.7
149.13235	3.2
151.11185	1.2
153.09111	5.2
156.66821	0.4
158.10909	2.0
161.09567	0.6
163.06035	0.8
163.11159	1.7
163.14850	4.0
165.12773	2.6
171.11646	0.5
173.13263	14.6
177.05402	0.9
189.05530	0.5
191.14305	53.7
194.99834	0.5
207.13777	0.5
209.15363	100.0
221.85629	0.5
241.07040	0.8
259.08084	0.9
271.04755	0.4
272.10919	0.7
341.19666	0.6
371.20599	0.7
375.02484	0.4
520.24542	1.3
522.37726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01851	1.1
55.05498	1.0
57.03443	2.6
57.07067	0.8
59.04987	0.5
61.02908	1.3
65.03940	0.5
67.05494	1.8
69.03429	30.6
69.07079	2.2
69.61024	0.6
69.61444	2.4
71.01318	0.7
71.04990	0.7
73.02918	6.8
73.71988	0.4
76.96787	0.4
79.05476	1.4
81.03393	1.0
81.07047	3.0
81.67889	0.4
83.04981	2.3
83.08588	0.6
85.02903	11.1
85.06517	1.6
87.04435	0.9
88.07012	0.4
91.05475	1.6
93.07032	1.7
95.04949	0.6
95.08604	5.3
97.02898	7.1
97.06542	2.4
105.03391	0.5
105.07030	2.2
107.08595	8.2
109.02889	1.6
109.06526	3.3
109.10162	2.2
111.08071	1.8
114.12806	0.6
115.03925	2.8
119.08582	2.5
121.06482	1.1
121.10138	6.5
123.08070	2.2
123.11690	3.9
123.89833	0.4
125.09632	14.6
127.03936	2.7
131.08577	3.3
133.04965	1.9
133.10141	3.4
135.08051	7.8
135.11682	3.3
137.09625	0.6
143.08527	0.7
145.04962	3.0
145.10139	1.6
147.04445	0.5
147.11707	2.5
149.09628	4.7
149.13235	3.2
151.11185	1.2
153.09111	5.2
156.66821	0.4
158.10909	2.0
161.09567	0.6
163.06035	0.8
163.11159	1.7
163.14850	4.0
165.12773	2.6
171.11646	0.5
173.13263	14.6
177.05402	0.9
189.05530	0.5
191.14305	53.7
194.99834	0.5
207.13777	0.5
209.15363	100.0
221.85629	0.5
241.07040	0.8
259.08084	0.9
271.04755	0.4
272.10919	0.7
341.19666	0.6
371.20599	0.7
375.02484	0.4
520.24542	1.3
522.37726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
53.56074	1.2
55.01859	1.1
55.05519	6.8
56.96563	3.2
57.03431	1.4
57.07071	3.3
59.04988	2.0
61.02932	1.6
61.44434	1.2
67.05510	9.4
69.03429	6.2
69.07072	9.6
69.86844	7.1
70.06588	1.2
71.05004	25.6
71.08588	1.4
73.02921	1.3
73.06544	5.6
73.13535	1.2
79.05135	1.3
79.05504	14.0
81.03419	4.9
81.07063	26.9
83.04981	2.4
83.08608	5.3
85.02917	11.1
85.06572	1.8
87.00835	5.6
91.05488	12.4
93.07056	27.8
95.04949	3.9
95.08615	35.8
97.02901	6.0
97.06524	6.5
97.10178	2.2
98.97570	2.9
99.04468	2.1
99.08083	5.6
103.05418	1.5
105.01899	6.7
105.07041	30.6
107.04952	1.8
107.08606	31.8
109.02864	3.4
109.06525	2.6
109.10161	17.4
117.01905	1.4
117.07014	2.6
119.08595	12.2
121.06541	1.5
121.10155	17.4
123.08069	2.6
123.11729	8.2
125.08762	2.5
125.09637	24.3
127.03909	7.9
127.07617	2.4
127.11232	3.3
131.04976	2.4
131.08588	7.0
133.10141	51.3
135.11732	2.4
143.08618	1.5
143.10675	38.8
145.04979	3.5
145.10138	10.1
147.11699	18.0
149.13274	34.7
151.11169	3.1
157.10110	1.6
159.02896	1.6
159.11717	9.3
161.13280	6.6
163.03905	1.7
163.11218	1.3
167.14331	100.0
169.12218	2.4
173.13289	2.5
177.05458	5.0
189.05475	1.5
201.16396	12.8
203.17943	4.0
208.16930	1.5
219.17453	49.7
226.18024	8.9
231.05106	1.9
237.18558	7.3
259.09598	1.6
271.01364	1.3
391.16138	1.6
408.24124	1.7
467.43964	1.4
517.11792	1.4
520.23157	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2934
Annotation	Segetalin G
Peak:m/z	Relative Intensity
55.01873	0.4
55.05515	1.0
55.33228	0.4
56.96560	0.5
57.03419	0.9
58.05706	0.4
63.67752	0.3
67.05512	4.5
69.03436	0.4
69.07065	1.7
69.28750	3.2
71.05006	0.5
74.32307	0.4
79.05498	2.0
81.03415	1.3
81.07066	4.2
83.04971	0.6
83.08626	1.0
85.02910	1.1
91.05489	1.5
93.07047	3.3
95.04966	0.8
95.08626	2.1
97.02863	0.7
97.06557	0.4
105.07008	2.0
107.04929	0.4
107.08601	1.7
109.06595	0.5
109.10159	2.0
111.08074	0.6
117.07042	0.7
119.08588	2.2
121.10133	2.2
123.08060	0.7
129.06960	0.5
131.08580	0.8
133.03293	0.4
133.10135	1.1
135.08044	0.4
135.11710	1.1
143.82904	0.3
145.10110	0.9
147.11687	0.9
149.13240	1.2
157.10167	0.6
159.11703	0.7
161.13292	0.4
169.48387	0.3
173.37923	0.4
228.33293	0.5
229.07521	0.9
229.14302	0.4
235.13132	2.7
251.12560	4.5
273.18594	0.5
275.20081	0.5
291.15729	4.7
291.19351	0.8
296.10083	0.4
307.15253	1.4
485.48114	0.4
489.20724	0.4
501.32199	0.8
519.29285	100.0
520.29791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
57.07063	2.4
67.05508	9.3
69.03420	2.7
69.80613	5.7
73.02932	2.4
79.05476	1.3
81.07092	1.9
85.02904	4.4
85.06546	7.4
91.05479	1.5
93.07044	4.7
95.04958	1.2
95.08613	60.5
97.02889	2.4
105.07008	3.1
107.08606	7.2
109.06562	1.4
111.08083	1.4
113.05997	9.5
119.08601	12.1
121.10162	3.8
123.08074	25.3
123.11716	2.0
125.42618	1.3
127.95097	1.2
133.04958	1.3
133.10092	1.3
135.10771	1.7
135.11670	8.8
137.09627	2.3
147.08087	2.3
147.11723	5.7
149.09625	32.5
149.10779	2.3
151.07513	1.7
161.09659	1.3
161.13252	9.7
163.11182	7.7
165.12775	5.5
171.11694	2.2
179.14299	2.1
180.09311	1.2
189.12761	16.9
207.13812	100.0
225.14859	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	519.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94993	0.3
58.67485	0.2
63.11238	0.2
69.36021	1.8
73.63942	0.2
111.38318	0.3
117.42808	0.3
163.03929	1.2
166.05305	0.3
205.49762	0.3
287.05429	0.3
346.94675	0.3
357.18875	3.0
459.22052	0.6
469.19962	0.3
487.21548	0.9
501.23380	0.4
519.24170	100.0
520.24426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
68.64419	0.3
69.03438	0.4
70.66130	0.9
70.66474	0.3
79.65578	0.3
83.46751	0.3
86.09714	0.8
91.05460	0.3
98.21404	0.4
104.45287	0.3
105.07002	0.3
147.04404	1.1
161.46881	0.4
163.03952	1.2
177.05447	0.5
203.05356	0.6
207.13832	0.7
225.14803	0.4
243.54025	0.3
259.07956	1.1
276.17065	0.4
283.06253	1.0
357.18802	3.1
357.45752	0.4
361.02200	0.4
370.04706	0.3
443.18225	0.5
469.20230	0.5
487.21408	1.6
519.24146	100.0
520.24548	1.7
539.17914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.08
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.7
55.93517	5.9
56.94305	2.9
62.37761	2.2
62.76780	2.8
69.03443	5.6
70.06599	2.6
70.95846	4.0
72.93790	19.0
73.04745	2.7
74.06057	3.6
81.03426	9.1
84.08150	2.8
85.02898	4.0
86.09737	3.5
89.95566	2.6
90.94830	10.0
91.05446	20.6
95.04969	6.6
97.02908	5.1
102.36501	2.5
103.05430	3.7
105.07014	4.5
107.04967	4.3
108.40913	2.9
109.02928	3.8
116.07159	2.7
118.94277	3.4
119.04956	29.6
128.96378	3.8
129.03358	6.8
131.04918	8.5
132.95868	9.6
135.04419	4.9
136.95419	3.1
140.96359	5.0
144.06575	4.0
144.95836	14.0
145.02831	7.8
146.97411	3.3
147.04417	38.8
150.96872	4.0
158.97408	36.1
161.05968	19.4
162.96912	5.0
163.03888	19.2
165.05496	6.2
166.97906	3.6
167.05586	3.8
168.95833	6.1
174.96974	4.7
175.03880	14.3
176.98482	10.4
177.05457	4.5
178.97913	4.0
182.97429	3.9
186.96828	13.2
189.05501	67.6
190.97873	5.1
192.99507	3.7
193.05124	4.1
194.97417	12.5
196.98869	2.9
198.96887	10.0
202.97961	7.6
206.97423	14.7
207.06560	7.2
208.98981	8.1
210.97076	3.8
216.97951	24.0
218.97397	17.9
220.98972	26.6
224.98499	3.4
226.99977	3.4
230.97496	9.1
234.96881	11.5
234.98987	100.0
236.98463	17.2
239.00095	4.8
246.96904	29.8
248.98503	8.1
251.00024	8.4
252.97865	5.4
253.00130	7.5
258.00565	3.0
260.98376	3.9
262.98459	6.5
264.97873	13.4
266.99619	8.4
276.97821	4.2
278.99503	11.8
280.97607	3.1
282.98917	5.3
288.97855	16.0
297.00522	16.8
299.06219	8.2
300.97986	8.5
315.01895	4.0
316.53528	2.7
319.01031	18.6
339.01724	4.5
353.96591	3.3
363.01572	18.8
379.01157	9.4
383.04190	12.6
391.01151	67.0
393.02847	4.1
395.04321	27.9
397.02332	4.1
401.05151	4.5
409.02173	38.7
411.03851	28.1
423.03809	24.8
427.03329	39.4
441.04816	23.0
459.06000	24.6
519.20251	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	518.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66939	1.0
53.03935	2.0
55.01861	3.0
57.03197	1.5
57.03438	19.6
59.04999	2.5
60.04517	1.0
61.02927	7.8
63.48769	1.2
67.05480	2.3
69.03428	40.2
69.71643	6.6
70.06576	1.1
71.01344	2.8
71.04982	2.5
71.21600	1.0
73.02916	29.7
75.04504	1.5
79.05495	19.5
81.03419	6.1
81.07031	3.3
83.04964	1.8
85.02906	66.7
85.06544	32.2
85.98801	1.2
87.04470	18.4
91.03956	2.7
91.05466	1.8
93.07024	3.2
95.04959	2.5
95.08627	1.3
96.41927	1.0
97.02888	47.5
97.06503	1.9
99.04448	3.5
105.03393	24.9
105.07019	1.7
107.08598	2.4
109.02862	5.6
109.06501	2.2
115.03929	47.5
117.07023	1.1
119.04958	1.2
119.08514	1.6
121.06472	1.5
123.04427	100.0
127.03920	16.7
127.07587	1.2
133.04967	35.5
135.08009	2.5
145.04962	36.3
150.07591	5.8
151.07550	1.9
152.05653	2.0
153.09138	1.8
161.04405	1.3
163.03932	2.2
163.06036	17.2
163.07426	2.1
181.08574	2.1
185.04269	1.4
187.11206	1.6
189.09082	5.4
199.09656	9.1
207.10135	2.3
211.09579	2.5
215.10637	1.2
217.10695	1.9
219.06442	1.2
223.05991	2.2
229.10709	6.5
241.07082	2.6
259.07974	2.1
285.09595	11.6
295.10150	3.1
307.15448	2.1
354.52335	1.1
518.22766	1.7
544.31305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39218	1.7
51.01492	1.8
55.05506	12.3
56.96551	2.3
57.03436	5.3
57.07066	3.7
60.08167	14.4
61.02932	2.6
65.03944	2.4
67.05507	54.8
69.07069	15.3
71.07361	4.4
71.55098	2.9
73.02965	2.2
79.05495	42.4
81.06594	4.2
81.07056	63.5
83.08625	6.5
83.50746	1.8
85.02887	7.8
85.06554	3.3
86.09711	35.9
91.03962	3.4
91.05480	22.0
93.07048	57.4
95.04936	2.7
95.08612	65.4
97.02899	2.8
97.06552	4.3
97.10160	2.7
98.98470	4.7
104.10752	78.6
105.07027	24.3
107.08601	49.7
109.10161	39.9
111.08067	2.9
113.00037	3.3
117.06979	8.6
119.08565	16.3
121.10143	36.6
123.08080	3.0
123.11730	13.2
125.00017	27.9
131.08551	19.2
133.10155	19.7
133.28908	2.0
135.11697	31.2
137.09624	2.4
137.13240	3.0
140.93738	2.2
145.10130	22.7
147.11705	16.8
149.13260	23.4
151.11157	6.0
159.11710	19.8
161.13223	7.1
163.11382	2.1
163.14810	6.4
165.12851	2.5
173.13339	13.4
184.07347	100.0
187.14821	5.1
201.16367	2.5
219.21011	2.6
229.19537	40.2
247.20580	93.5
249.22057	2.6
265.21564	2.7
321.24197	15.4
339.25253	36.9
374.33267	2.1
406.30417	2.5
441.84775	2.2
500.31461	6.6
518.32605	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	517.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84055	0.4
51.74226	0.4
55.01866	0.8
56.96559	0.6
57.03443	0.9
61.02910	1.0
69.03443	2.9
70.06598	0.9
70.92528	0.4
71.04983	0.7
71.28285	0.4
71.53967	0.9
73.02927	1.3
79.05477	1.7
80.48206	0.4
81.03417	1.1
85.02914	7.5
86.09683	0.9
89.03914	4.8
91.05489	1.2
95.04958	0.7
97.02896	3.4
97.31511	0.5
98.97580	1.4
99.04441	0.9
107.04953	1.8
108.08147	0.8
109.02892	1.2
109.06557	0.5
111.04406	0.6
112.07578	0.9
114.39587	0.6
116.98646	1.2
117.03384	6.3
119.04955	1.0
121.02983	0.5
121.06532	0.7
127.03893	1.7
130.06557	0.6
131.04924	1.1
133.06265	0.5
135.04422	13.6
136.07584	0.6
145.02853	9.7
145.04971	2.0
147.04410	2.4
152.07079	0.5
159.04471	1.7
159.09126	0.6
159.11598	0.5
163.03914	100.0
164.04234	0.9
165.05479	0.7
177.05492	0.7
189.05426	1.2
207.06485	1.0
219.01848	0.8
268.00793	0.5
311.16196	0.5
335.09308	0.7
347.02344	0.4
378.96887	0.5
440.57397	0.5
444.18613	0.7
473.21069	0.9
481.14764	0.5
487.21500	3.6
517.19562	7.5
517.22131	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	518.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60075	1.8
55.01878	3.6
55.05500	7.6
55.94931	1.8
56.96570	2.0
57.03436	7.2
65.03939	2.0
67.05505	7.0
69.03434	5.9
69.07069	4.6
69.56511	12.3
70.06593	4.4
73.02899	2.1
79.05485	15.6
81.03404	2.8
81.07049	8.9
83.04971	3.0
85.02898	7.4
85.06509	2.5
85.89539	1.8
85.90096	2.0
91.05475	13.9
93.07050	32.5
95.01340	5.9
95.04964	12.9
95.08595	3.7
97.02901	8.3
97.06518	10.1
98.21435	4.0
98.75944	1.9
99.04456	6.5
103.03954	3.5
105.07037	22.6
107.04952	7.7
107.08578	11.9
109.06522	4.8
109.10155	2.6
117.07037	15.5
119.04932	9.3
119.08581	10.0
121.06506	36.7
121.10120	2.7
128.06157	2.5
129.05513	3.6
129.06999	6.7
131.04845	2.0
131.08569	18.7
133.06514	2.2
133.10101	3.9
135.04384	4.3
135.08083	4.9
137.05994	3.0
139.07504	3.0
141.01817	7.7
141.06975	3.8
143.08572	5.9
144.09328	5.7
145.06520	15.2
145.10135	55.5
147.04341	3.1
147.11624	2.8
154.07759	3.8
155.08534	3.6
157.10104	4.0
158.07280	7.1
159.08072	17.9
159.11699	53.1
161.09669	2.7
163.03882	6.1
167.62437	2.0
169.08638	9.0
169.10159	11.7
171.08032	4.5
171.11687	2.4
172.08801	5.1
173.09618	44.5
179.08505	5.0
182.07314	2.9
187.11185	77.5
189.12851	3.0
191.10631	4.1
197.09596	14.6
199.09633	2.9
205.12236	13.6
215.07448	3.0
215.10706	67.2
233.11713	12.0
251.12967	3.7
259.09793	2.9
279.15970	7.5
289.14328	80.9
307.15399	100.0
325.16373	4.4
356.12039	2.7
465.17419	7.3
481.52734	2.1
483.18661	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01870	4.0
55.05273	1.6
55.05515	23.5
56.96545	1.5
57.03440	10.2
59.04997	5.0
61.02909	3.8
65.03944	2.7
67.05508	66.8
69.03430	6.5
69.07075	7.1
70.06580	4.7
71.04991	4.7
71.55648	2.0
72.07815	1.2
72.08167	13.7
73.02917	3.5
79.05498	14.2
81.03432	8.5
81.07059	21.2
83.04987	5.5
83.08624	12.1
84.04509	1.8
85.02914	15.1
85.06550	3.9
86.06097	1.2
86.09714	26.7
87.04449	5.9
91.03957	1.4
91.05486	11.5
93.07056	10.3
95.04958	4.6
95.08616	9.9
97.02914	11.4
97.06515	2.9
97.10180	17.4
98.97597	3.0
99.04468	2.5
99.08094	2.0
103.03941	3.4
105.07041	4.1
107.04938	3.7
107.08617	12.6
109.02877	4.7
109.06551	1.7
109.10162	62.2
111.04469	5.7
111.08089	3.5
117.03354	1.1
117.07008	2.2
119.04967	5.4
119.08595	7.3
121.02890	1.9
121.06526	1.7
121.10152	4.5
125.09642	20.2
127.03904	3.2
129.06985	1.0
130.05017	1.6
131.08575	3.7
133.10123	2.9
135.11703	4.9
136.07562	1.3
137.05974	4.2
137.09608	4.4
139.99020	5.4
139.99959	0.9
143.10689	4.3
145.02841	4.0
145.04959	2.2
145.06448	1.4
145.10126	4.6
147.04419	11.5
148.04803	2.6
149.06032	1.8
149.09569	2.9
150.05463	3.1
153.12784	2.3
155.10698	9.1
158.00023	3.7
163.03839	5.7
163.11214	6.9
173.11748	47.6
177.05484	7.7
178.05182	3.4
179.07098	2.4
181.12202	2.2
185.16486	6.7
189.05350	1.1
191.06659	1.4
191.10710	4.0
193.12267	1.6
199.13312	3.2
206.04454	2.2
209.11745	21.2
213.16010	11.5
215.06818	1.3
217.14418	4.0
220.06036	1.4
227.12714	7.6
229.14357	100.0
237.02565	1.2
241.14424	1.8
245.13870	1.5
246.11154	1.7
260.09961	1.4
265.14383	1.1
283.15408	21.1
284.03299	2.6
301.16486	14.0
302.04221	2.6
304.15057	3.5
319.17606	8.2
326.24304	2.2
362.44562	1.2
415.46570	1.2
417.23499	1.5
463.21848	9.9
481.22659	1.7
516.16241	2.1
516.23828	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	517.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75362	0.6
53.03949	1.0
55.01868	0.7
55.05492	0.8
57.03435	1.3
61.02929	0.6
62.57153	0.7
63.02361	0.6
64.97204	0.5
67.05513	0.9
68.99770	0.5
69.03436	3.1
69.07060	1.0
70.06588	0.8
71.05015	0.8
71.06985	0.7
71.55907	0.8
73.02915	1.2
78.04716	0.5
79.05496	1.5
81.03410	6.0
81.07056	1.4
83.04993	0.6
83.08628	0.7
84.88778	0.6
85.02920	4.2
85.06547	0.8
85.88035	0.6
86.09687	0.8
89.03909	6.5
91.05497	3.1
93.07028	2.5
95.04966	1.5
95.08605	1.0
97.02897	3.1
97.06541	1.6
98.97638	0.6
103.05450	0.7
105.07023	2.0
107.04984	0.7
107.08588	1.7
109.02872	2.2
109.06545	0.6
109.10149	0.9
111.04390	0.6
116.80173	0.6
117.03382	19.8
119.04945	1.7
119.08611	1.2
121.06507	1.3
121.10108	1.6
123.04413	2.8
123.08126	0.6
127.03850	1.1
131.08546	1.1
133.02859	2.4
133.10127	1.2
134.03645	1.4
135.04416	2.5
135.08064	0.8
137.05965	1.7
145.02850	45.8
145.10118	1.7
147.04404	2.7
147.11697	1.9
149.06000	6.7
149.09610	1.8
151.03862	1.1
159.11720	0.8
161.09627	0.7
163.03923	2.4
167.06995	0.6
173.09727	0.6
177.05476	100.0
179.03413	12.5
186.05533	1.7
191.10677	1.3
193.12273	0.8
195.06563	1.1
201.05463	2.1
205.15915	1.9
215.07133	0.9
223.16965	4.0
223.18993	0.8
251.16382	1.0
253.12363	0.8
253.17717	0.6
269.17383	1.5
277.08618	0.8
277.98627	0.7
297.14673	0.9
305.08173	0.7
308.68988	0.8
321.09717	6.0
325.14316	3.6
339.10687	3.1
355.08072	0.7
355.11810	2.4
356.07883	0.7
517.23285	2.8
517.29218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60458	1.0
53.03951	1.7
53.13159	1.0
55.01877	2.7
55.05513	26.5
57.03194	1.1
57.03429	6.6
59.04993	4.0
60.70951	1.1
61.02918	3.4
65.03979	1.2
67.05506	52.1
69.03427	4.4
69.07059	4.8
70.06598	0.9
71.01371	1.0
71.04991	3.3
71.54039	1.4
72.08144	1.1
72.59081	0.9
73.02920	2.0
75.05615	1.1
75.42592	0.9
79.05490	11.8
81.03403	5.4
81.07059	16.4
83.04983	3.4
83.08617	10.9
85.02911	13.7
85.06544	2.6
85.75537	1.0
86.09708	2.0
87.04475	5.3
91.03957	2.0
91.05494	6.6
93.07044	7.3
95.04951	2.6
95.08607	7.5
97.02898	4.1
97.06546	2.0
97.10170	19.0
103.03931	3.7
105.07006	2.4
107.04986	2.4
107.08600	8.0
109.10158	59.2
111.04438	1.3
111.08091	2.1
119.08574	6.4
121.10139	4.2
125.09631	21.7
131.08534	2.2
133.10106	1.8
135.11702	1.3
137.09616	3.1
139.05434	1.0
143.10719	5.5
145.10138	2.4
147.04398	1.1
147.17438	1.2
149.09625	4.6
153.12746	1.2
155.10664	11.5
163.03952	1.2
163.11169	4.3
173.09534	1.5
173.11739	36.5
177.05569	1.2
178.04991	26.7
182.04927	7.5
191.10707	1.8
193.12224	1.3
193.79755	1.1
199.13306	2.3
206.04483	29.0
209.11728	2.7
217.14354	3.4
227.12778	3.7
229.14349	100.0
237.02727	1.2
246.14915	2.0
283.15347	1.8
301.16470	6.4
303.04895	1.2
319.17496	27.2
337.18723	2.1
375.68802	1.1
384.07935	2.8
424.39789	1.2
441.99051	1.0
448.32974	1.1
453.56384	1.2
463.21625	4.5
481.22723	2.0
515.71368	5.3
516.21423	3.0
529.08496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3735
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
55.05501	4.7
56.11992	1.4
57.07076	1.5
67.05511	7.7
69.07069	8.1
69.97364	7.6
77.33568	1.5
79.05483	5.9
81.07059	13.8
83.08620	4.1
87.10760	1.5
91.05472	7.8
91.62677	1.4
93.07039	17.0
95.08612	26.8
97.10188	3.5
99.08123	10.7
101.61596	1.4
105.07036	23.0
107.08605	27.6
109.10155	19.6
112.31650	1.6
116.42967	1.4
117.06951	1.7
119.08585	33.4
121.10152	26.5
123.08073	2.7
123.11690	5.8
131.08582	19.2
133.10133	30.0
135.11705	18.4
137.13284	2.2
144.09343	1.8
145.10121	18.9
147.11699	31.9
149.13248	7.8
157.10117	5.1
159.11697	18.9
161.13274	13.8
163.14821	6.7
171.11710	1.9
173.13242	9.2
175.14833	6.7
177.16397	2.6
179.14337	3.7
185.13295	2.2
187.14807	20.5
189.16342	14.7
191.17964	100.0
201.16383	48.9
203.17963	18.6
205.19522	3.7
213.16438	2.6
215.17931	4.5
217.19543	6.2
219.17433	10.9
223.73860	1.6
227.18059	1.9
227.86392	1.7
229.19574	3.3
231.21014	2.3
241.19525	2.8
247.16913	3.1
265.18011	3.8
337.28928	2.0
391.33539	6.1
409.34708	30.0
419.33206	2.2
437.34137	11.6
455.35223	47.7
515.37219	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
51.51431	1.5
53.03943	5.5
55.01863	2.0
55.05518	16.9
57.03429	8.9
57.07066	3.8
61.02910	3.8
65.03945	3.8
67.05509	87.2
69.03415	5.4
69.07079	14.0
69.49999	4.4
69.50413	10.2
71.04991	2.4
73.02902	3.0
79.05495	57.2
81.03445	3.8
81.07059	100.0
83.04965	3.7
83.08610	7.7
85.02886	5.8
85.06558	4.4
91.05482	29.5
93.07047	71.1
95.04993	4.3
95.08611	83.0
97.02884	5.1
97.06514	4.5
97.10168	4.5
99.08102	2.9
105.07040	27.7
107.08602	41.1
109.06515	6.7
109.10172	39.5
109.10903	1.4
111.04489	1.8
111.08063	2.7
115.05499	1.9
117.07024	12.7
119.08582	23.2
121.10139	38.4
123.08053	5.9
123.11710	25.3
129.06999	3.6
131.08560	27.3
133.10135	23.0
135.08070	3.3
135.11684	28.5
137.05972	8.0
137.09694	2.5
137.13268	8.8
143.08556	6.3
145.10123	27.1
147.08095	2.0
147.11726	16.4
149.09660	2.4
149.13269	22.5
151.14755	2.9
153.12732	1.8
157.10114	5.3
159.11688	22.2
161.09674	2.1
161.13263	14.4
163.11191	2.5
163.14851	10.2
165.12703	2.4
169.10011	2.2
171.07991	2.5
171.11717	4.5
173.09570	2.3
173.13229	18.3
175.11243	2.2
175.14822	6.8
177.12711	4.1
177.16370	7.1
185.13185	3.9
187.13380	1.8
187.14742	9.8
189.16275	2.2
193.12305	2.1
195.44762	1.8
199.14899	2.8
201.12778	2.9
201.16406	4.4
205.35159	1.8
213.12744	2.2
213.16330	2.1
215.14310	2.5
215.17970	2.8
219.13702	2.6
231.13759	2.5
233.15324	2.7
243.21133	24.0
261.19424	4.0
261.22156	78.1
273.18832	2.0
273.21912	2.2
279.23145	4.3
288.27551	1.7
301.21582	2.1
303.23315	3.4
335.25806	25.8
345.24463	2.9
351.23010	1.9
353.26941	21.0
355.26425	2.7
387.25287	2.0
405.26242	2.0
418.07095	1.9
419.28220	5.1
429.27856	2.9
447.29077	6.2
465.29736	2.9
479.29889	2.4
497.31265	10.3
515.33563	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	514.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
55.01871	5.3
55.05508	20.0
57.03443	20.7
65.03910	2.9
67.05508	80.2
69.03419	3.4
69.07068	22.2
69.23647	9.4
69.24073	16.9
71.04993	6.0
76.67325	3.0
79.05073	4.2
79.05499	54.4
81.03421	66.4
81.06595	4.8
81.07058	82.4
83.04989	18.5
83.08617	37.2
85.02908	18.7
85.06540	7.1
91.05493	44.2
93.07050	55.7
94.71737	2.7
95.04981	28.7
95.08613	25.3
97.02854	2.8
97.06517	11.4
97.10140	4.3
105.04459	3.0
105.07023	31.4
107.04960	7.8
107.08602	28.1
108.85280	2.6
109.06505	5.1
109.10155	5.4
111.04388	2.9
111.08085	18.7
113.06024	3.1
117.07002	10.6
119.08583	24.6
121.06509	3.9
121.10130	21.3
123.08076	5.0
123.11691	3.9
129.06990	8.9
131.08554	22.3
133.10139	16.6
135.11688	8.1
139.11263	3.1
142.07735	3.0
145.10081	5.6
147.07999	3.5
147.11670	15.4
149.09608	5.2
149.13283	28.2
157.10147	15.3
159.11694	8.2
165.12766	4.2
175.11221	13.9
177.12776	8.3
193.12234	44.7
195.13792	11.6
196.44405	2.7
211.13304	76.1
267.15936	30.1
269.10822	5.3
269.17480	89.8
285.16946	63.8
341.16086	6.0
347.52719	2.9
461.29004	51.0
469.33136	3.7
479.23615	5.7
479.30130	100.0
540.74371	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	514.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15810	0.8
53.03954	1.0
55.01881	1.6
55.05525	3.5
57.03441	3.4
61.02934	1.4
62.11111	1.0
65.82047	0.8
67.05511	6.5
67.05820	0.9
69.03439	1.9
69.07069	1.7
69.35501	1.8
69.35907	5.8
79.05489	7.4
81.03423	74.7
81.07063	6.8
83.04985	2.7
83.08627	20.8
85.02935	2.2
91.03970	1.0
91.05479	10.1
93.07058	3.9
95.04971	23.4
95.08605	1.7
97.02915	2.2
97.10193	1.1
105.07015	7.2
105.82066	0.9
107.04952	5.5
107.08598	2.7
109.06548	1.5
111.08081	9.1
115.05434	1.0
119.08596	7.4
121.10156	4.5
123.04460	1.7
123.08062	1.1
129.07008	6.5
131.08557	6.2
133.06532	1.6
133.10144	3.5
142.07846	1.9
147.08092	2.4
147.11713	5.7
149.09673	3.9
157.10132	8.6
175.11238	10.7
193.12257	61.1
211.13309	5.0
235.13335	2.1
257.12408	1.0
267.15936	33.0
285.16980	100.0
299.18665	1.3
309.16949	8.6
327.18362	1.9
351.18149	1.6
363.18118	3.6
393.19357	1.2
411.20065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48457	1.2
55.05494	3.7
57.03431	3.7
61.00598	1.4
63.15635	1.5
64.30173	1.1
66.01782	1.1
67.05507	8.4
69.03425	2.3
69.07059	2.2
70.68091	2.4
70.68433	2.0
71.04984	1.6
79.05515	6.9
80.59717	1.2
81.03420	81.9
81.07053	7.8
83.04961	4.2
83.08627	19.2
85.02912	1.9
91.05492	8.9
93.07035	5.2
95.04969	23.5
95.08602	2.4
97.02908	2.2
97.10168	1.4
105.07052	7.5
107.04956	4.7
107.08584	1.9
109.06493	2.2
111.04422	3.2
111.08088	9.8
114.44318	1.4
119.08570	5.7
121.10125	4.8
123.11794	1.5
129.06964	7.3
131.08548	5.1
132.38223	1.7
133.06514	2.4
133.10155	2.8
147.08078	2.8
147.11664	7.5
149.09618	3.6
157.10141	10.5
165.12872	2.2
175.11189	14.0
177.05147	1.5
180.50081	1.3
193.12250	72.0
211.13278	6.0
235.13298	2.8
267.15924	51.6
285.16971	100.0
301.14209	1.4
309.16873	12.9
350.94952	2.1
363.18060	3.1
373.13663	1.5
375.17822	1.9
393.19238	2.6
411.20032	1.8
429.21231	6.8
470.36530	1.4
535.13794	1.4
537.62036	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26651	0.7
54.24816	0.6
57.03426	1.6
62.01600	0.8
67.05505	1.6
69.03436	3.3
70.06595	100.0
71.04956	1.4
71.55032	1.1
79.05482	2.2
81.03422	2.6
81.07063	1.3
83.04970	0.7
84.08188	0.9
85.02917	4.2
86.06060	5.1
86.09711	1.2
87.04471	1.0
91.05477	3.0
93.07049	3.6
94.98510	0.7
95.04965	1.2
95.08618	1.2
97.02902	2.3
98.97598	1.7
103.05437	1.0
105.07026	2.8
107.04961	2.1
107.08605	1.1
109.02893	4.1
109.10182	0.8
112.07609	97.4
115.03954	0.8
116.07089	3.8
119.05007	2.1
119.08607	1.4
120.05271	1.0
121.06570	1.2
121.10148	2.3
125.09581	0.7
127.03897	3.8
130.06511	0.8
131.04927	1.4
131.08598	0.8
137.09624	2.2
139.11143	0.8
140.07068	58.6
147.04427	2.4
149.06017	1.3
149.09657	2.0
150.05548	0.9
153.12801	1.0
155.10692	1.6
158.08148	15.2
163.03954	2.0
167.10732	2.9
175.03873	0.9
175.99995	0.8
177.05493	10.3
177.13156	0.8
185.11739	8.4
189.05574	1.5
219.01921	1.0
221.06023	1.1
225.07396	0.8
237.02853	1.0
254.10994	1.1
266.10287	5.1
271.60159	0.8
277.05081	0.8
284.11258	17.4
284.14044	0.9
295.06149	1.1
302.12329	9.1
323.05612	3.7
340.05258	1.1
373.06320	1.1
414.86478	0.9
500.34158	0.8
514.19971	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.48138	1.7
53.03947	3.1
55.01879	2.9
55.05522	11.5
57.03431	6.6
57.07075	1.8
61.02932	11.1
66.81493	2.0
67.05514	32.1
69.03423	5.5
69.07077	8.7
70.80822	4.1
71.01334	1.7
71.05006	4.7
73.02924	4.3
75.46638	1.6
79.05502	30.4
81.03421	4.9
81.07070	32.8
83.04977	5.3
83.08619	7.0
85.02910	14.3
85.06552	2.7
91.03954	5.7
91.05490	30.1
93.07053	41.9
95.04990	5.8
95.08620	22.1
97.02910	7.3
97.06540	3.7
97.10208	2.9
98.97588	1.9
105.07042	28.3
107.04961	2.6
107.08614	27.4
109.06508	2.8
109.10175	10.4
111.04478	1.8
111.08075	2.1
117.07038	8.4
119.07819	2.1
119.08602	27.6
121.10178	22.2
121.61212	1.7
123.11684	3.9
129.07040	8.6
131.08572	15.5
133.10164	24.4
135.08034	3.1
135.11707	21.6
143.08578	7.2
145.10161	16.3
147.11716	24.3
149.09657	2.2
149.13280	15.0
155.08566	3.8
157.10152	7.6
159.11743	10.2
161.09598	2.3
161.13271	16.1
163.11179	2.5
163.14841	4.2
171.11728	9.4
173.13289	7.5
173.14691	1.7
175.14818	6.7
183.11746	2.6
185.13301	6.3
187.14857	2.3
189.12741	2.8
193.12210	2.1
199.14841	2.7
217.19597	2.8
225.77100	1.7
231.17506	2.1
231.21117	2.7
241.19585	15.9
259.20618	39.4
269.17401	2.5
277.21664	6.2
301.21777	2.3
320.96368	2.3
333.24231	7.3
349.23822	4.9
351.25339	100.0
367.22595	2.4
375.25562	2.6
385.23917	2.3
423.22827	3.2
441.26712	3.8
459.27524	3.5
477.28381	3.5
495.29224	7.4
497.96866	2.5
513.29596	6.7
528.56561	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40923	1.7
53.03941	4.4
54.51826	1.3
55.01873	4.2
55.05510	15.8
57.03432	12.7
57.07089	1.9
59.04986	1.6
61.02931	29.8
63.91734	1.5
65.03912	1.6
67.05505	45.2
69.03423	17.4
69.07072	12.9
71.01358	3.2
71.04996	5.9
71.08633	25.6
71.56167	1.4
73.02924	11.1
79.05496	37.8
81.03417	18.1
81.07054	47.1
81.07531	2.7
83.04980	9.0
83.08616	10.7
83.10368	1.4
85.02904	26.6
85.06563	1.8
91.03960	13.8
91.05482	23.4
93.07043	52.3
95.04970	6.7
95.08609	31.5
97.02895	23.0
97.06515	8.2
97.10202	2.9
99.04459	5.1
99.08089	21.8
101.02394	6.8
103.03951	2.3
105.07035	20.5
107.04960	6.2
107.08595	28.0
109.02876	6.4
109.06510	5.6
109.10162	16.5
111.04409	2.1
111.08089	4.0
111.97608	1.4
113.00049	3.9
113.09605	2.3
115.03917	1.8
117.07034	5.8
119.08585	19.4
121.06558	1.6
121.10149	25.9
123.08112	2.4
123.11676	2.6
125.01978	1.5
125.09631	2.6
127.03922	12.2
129.06999	5.8
131.08545	10.6
133.10129	15.8
135.11697	29.8
137.09607	3.9
139.11214	1.7
141.07040	1.7
141.09125	3.8
142.07829	1.8
143.08569	4.1
145.04959	3.3
145.10136	8.5
147.11678	9.3
149.13281	12.7
151.11169	9.3
157.10153	5.1
159.11697	6.2
161.13257	11.7
163.11203	4.5
163.14871	3.5
171.11755	4.0
173.13181	2.2
175.14902	2.7
177.12798	3.2
179.14316	100.0
181.10352	1.6
181.12209	2.2
183.06544	3.2
185.13310	2.9
189.12753	2.4
189.16617	1.8
193.10262	2.0
195.13931	1.8
221.15338	2.5
229.14383	5.8
235.16974	3.0
241.19431	2.5
259.20627	8.2
277.21631	79.8
295.22672	4.1
351.25290	49.8
379.24738	4.1
393.26199	1.8
401.25256	3.3
459.27353	3.7
495.29440	7.2
499.42783	1.7
513.28918	7.5
513.35956	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	513.3057
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03947	2.5
55.01868	2.1
55.05499	8.0
57.03432	4.7
61.02922	10.4
64.03663	1.7
67.05235	1.8
67.05503	18.9
69.03410	5.5
69.07074	9.7
69.39374	15.2
70.96101	1.9
71.04971	3.2
73.02909	6.5
74.08205	2.0
78.58155	1.6
79.05494	30.0
81.03409	5.3
81.07053	25.4
83.08627	3.5
85.02891	8.7
89.34650	2.0
91.03938	5.1
91.05477	24.5
93.06493	3.5
93.07043	42.4
95.08611	18.3
97.02882	7.3
97.06513	2.8
97.10148	3.0
99.08076	2.9
105.07015	25.5
107.08590	26.1
109.10149	7.7
117.07030	9.1
119.08581	23.1
121.10150	19.6
125.31599	1.8
129.07024	4.5
131.08540	10.8
133.10130	18.7
135.11685	22.6
143.08565	5.7
145.10120	9.6
147.11685	18.1
149.13261	14.2
157.10139	5.0
159.11662	8.3
161.13237	20.8
163.14807	4.3
171.11652	4.5
173.13260	7.2
175.14909	9.0
179.14310	9.0
185.13310	5.4
187.14824	3.4
199.14804	4.8
217.19618	2.5
231.21049	2.5
238.31386	1.9
241.19580	18.5
259.18057	3.5
259.20581	44.8
277.21750	14.4
333.24109	5.3
351.25302	100.0
385.23422	2.2
429.26126	2.5
441.26321	6.1
459.27390	5.1
477.28577	3.6
495.29578	5.0
513.30298	2.9
534.33856	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.05494	7.5
55.79850	1.4
57.03437	4.9
57.07082	1.7
61.02932	9.0
61.75113	1.3
67.05183	2.1
67.05511	21.4
69.03421	4.6
69.07066	9.1
70.54464	2.9
70.54800	2.0
71.05000	3.3
73.02903	4.7
79.05499	31.2
81.03405	2.7
81.07055	23.8
83.04964	1.7
83.08618	4.2
84.78337	1.5
85.02923	12.5
85.06546	2.7
91.03958	6.3
91.05481	29.1
93.07051	31.8
93.66012	1.5
95.04964	4.3
95.08605	17.3
97.02925	7.2
97.06524	4.3
97.10201	1.9
99.04469	2.1
103.05482	2.4
105.07028	32.2
107.08611	16.9
109.10162	8.5
117.07014	9.6
119.08585	29.7
121.10152	14.5
125.09595	1.7
127.03922	1.6
129.07013	6.1
131.08556	11.9
133.10129	24.5
135.08131	1.7
135.11707	14.2
137.09689	1.9
137.13329	1.6
142.49068	1.6
143.08546	4.9
145.10138	14.7
147.11687	21.4
149.13252	12.1
155.08524	2.2
157.10104	7.7
159.11690	13.2
161.13280	18.9
163.14818	2.5
171.11731	7.4
173.13327	9.6
175.11194	2.9
175.14844	7.8
177.12816	2.1
185.13269	8.9
187.14883	3.7
191.14426	1.5
199.14775	4.7
213.06645	1.4
213.16342	1.9
231.17447	3.0
231.21091	5.3
241.19540	20.6
259.20596	51.0
271.20670	2.8
333.24167	2.9
349.23834	3.1
351.25290	100.0
353.92181	1.8
363.25262	4.3
367.22748	2.6
375.25128	2.7
385.23474	1.8
403.24768	2.1
417.26437	3.6
429.26361	2.0
441.26489	4.6
459.27316	6.1
477.28302	5.2
495.29355	7.0
513.30084	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
57.07073	13.0
58.06570	1.0
65.83906	0.3
67.05505	1.7
69.07072	2.1
69.20428	0.3
69.20747	3.1
70.06591	10.1
70.62025	0.3
71.08631	6.1
73.02881	1.1
81.07065	1.6
82.47587	0.3
83.08625	1.5
85.10182	2.9
88.07626	15.6
89.06005	0.9
93.18832	0.3
94.59885	0.3
95.08600	2.4
97.10141	0.9
98.20621	0.5
102.09181	12.3
104.84691	0.3
106.08611	0.7
109.10120	1.0
115.56852	0.3
133.08548	0.9
212.23662	0.4
228.23225	3.9
246.24278	0.5
256.26349	39.2
257.26782	0.3
274.27441	3.5
279.03003	0.3
283.26297	40.8
311.29416	3.7
327.19992	0.4
512.50372	100.0
513.50598	1.1
526.96637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97978	1.4
55.01861	5.1
55.05514	15.1
56.96564	1.3
57.03440	12.7
57.07061	2.6
59.04997	1.8
65.03932	1.4
67.05505	36.1
67.71165	1.2
69.07071	15.0
71.01344	1.5
71.04980	4.3
79.05491	26.4
81.03416	12.4
81.07056	43.1
83.01315	6.3
83.04989	8.7
83.08622	13.2
85.02902	4.7
85.06539	3.5
91.05488	19.0
93.06487	2.8
93.07046	44.4
95.04974	6.8
95.08616	16.9
97.02898	3.0
97.06519	9.2
97.10152	1.8
99.04462	2.0
105.07035	9.5
107.04940	4.8
107.08587	24.5
109.06528	6.1
109.10168	3.5
111.04442	2.2
111.08068	4.1
117.07014	7.7
119.08571	8.0
121.06476	1.9
121.10149	13.8
123.08079	5.6
125.06010	2.1
125.09713	1.4
129.07011	1.6
130.51685	1.2
131.08568	6.9
133.10124	5.0
135.08063	2.4
135.11694	11.7
137.09596	2.2
142.03038	1.4
145.10106	8.1
147.08032	1.9
147.11729	2.7
149.09616	1.3
149.13268	16.2
153.12787	1.8
155.08443	2.0
158.05547	1.2
159.11697	7.3
163.11179	15.2
177.12758	4.6
181.12207	1.7
191.10634	2.4
195.13870	8.3
209.11728	4.5
227.12889	2.0
234.49902	1.3
235.23143	1.3
267.08975	1.7
269.17477	58.3
283.15387	62.4
285.10019	2.0
424.57938	1.5
459.27087	2.6
477.28488	100.0
512.28613	2.9
512.34601	4.3
512.50220	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.2
55.01878	34.9
55.05270	4.3
55.05515	54.3
56.96552	5.4
57.03435	26.0
57.07069	10.4
59.05009	4.9
65.03945	6.3
67.05509	94.0
69.03425	16.0
69.07068	31.4
71.04983	13.1
72.08170	3.7
73.02924	6.2
79.05495	82.8
80.06268	4.2
81.03425	100.0
81.07059	83.8
82.04204	8.8
83.04987	46.6
83.08623	43.4
85.02903	46.0
85.06545	7.4
91.05484	79.7
93.07049	56.1
95.04974	59.3
95.08611	36.5
97.02893	14.9
97.06529	23.1
97.10194	18.0
98.07318	13.3
99.08080	5.3
105.07040	53.6
105.07714	5.7
107.04951	18.2
107.08599	39.8
109.02944	3.4
109.06512	12.8
109.10181	37.7
111.04460	10.4
111.08077	19.1
112.99208	3.5
113.00007	5.4
113.06015	5.1
115.05455	6.3
116.04657	3.3
116.76106	2.8
117.07027	9.0
119.08600	41.3
121.06545	5.3
121.10158	25.5
123.08054	11.0
123.11706	4.1
125.09647	22.1
127.11221	6.0
129.05473	8.4
129.07031	21.4
131.08559	25.7
133.06517	6.1
133.10133	33.3
135.08095	6.8
135.11650	4.2
137.09666	6.8
142.07805	5.7
145.10117	8.6
147.08034	8.6
147.11691	30.2
149.09608	9.7
151.11192	3.4
153.12721	4.6
157.10159	26.7
158.05739	7.9
159.11546	4.7
163.11191	9.4
165.12791	6.7
171.06523	12.5
173.11786	7.3
173.13161	4.3
175.11217	25.8
181.12157	6.3
185.08086	5.4
189.05508	4.6
191.10635	5.7
193.12262	66.6
199.09560	4.8
199.13313	14.2
200.14084	4.3
201.14810	4.8
203.05574	3.2
209.11720	11.0
211.13297	83.5
227.12709	18.2
229.14336	9.4
242.14932	4.1
247.08528	3.6
255.15858	7.5
267.15863	18.2
283.15302	7.4
285.16953	15.0
319.13486	3.6
339.18079	8.7
339.21774	4.6
367.21222	5.0
399.23782	4.1
409.25760	8.7
421.25974	5.4
437.25323	3.3
439.26782	23.3
475.27084	7.6
476.27087	3.8
493.28052	17.7
511.11578	8.5
511.28986	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01855	2.9
55.05516	10.6
57.03442	12.3
65.03925	3.6
67.05188	3.5
67.05511	57.2
69.03423	6.2
69.07087	11.1
71.01349	12.5
73.02917	16.3
79.05074	2.8
79.05500	36.3
81.03413	4.9
81.06596	3.2
81.07059	59.1
83.04959	3.5
83.08613	6.6
85.02908	28.1
85.06501	2.3
91.05489	23.4
93.07041	43.9
95.01311	5.9
95.04958	6.8
95.08613	47.6
97.02890	12.7
97.10164	5.7
98.20727	5.1
99.00788	2.6
99.04469	3.0
101.02362	5.0
103.03933	3.2
105.07038	17.2
107.08602	27.9
109.06509	3.4
109.10162	19.5
111.08054	2.0
113.02400	13.6
117.07009	8.5
119.08595	15.2
121.09488	2.1
121.10159	23.0
123.11699	9.2
129.07030	3.2
131.03412	7.0
131.08601	13.3
133.10175	11.9
135.11678	14.3
137.13232	2.6
141.01813	11.7
145.10103	14.1
147.11678	8.0
149.13260	8.1
159.02937	6.5
159.06488	4.0
159.11722	7.8
161.13239	8.4
163.14760	3.0
169.04991	3.0
173.13229	8.2
175.14767	3.0
177.16324	2.3
187.14876	3.0
215.05542	4.2
221.68765	2.1
243.21124	7.5
261.22122	25.9
303.23157	3.9
305.85449	2.4
335.25916	25.0
493.27643	3.0
511.34579	100.0
529.28326	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	510.3648
Annotation	Chrysosporide
Peak:m/z	Relative Intensity
55.05505	4.0
56.05017	1.0
57.03431	3.5
57.06798	1.6
57.07077	33.2
58.06578	1.2
60.08170	18.5
61.02919	2.5
63.68684	1.0
67.05511	8.2
69.07072	7.2
71.07377	6.1
71.08636	29.7
75.04472	2.8
76.44516	1.0
81.07056	14.7
83.08617	9.7
85.02908	2.4
85.10191	12.0
86.09710	49.7
91.03922	1.3
95.03256	1.0
95.08609	20.8
97.02881	1.4
97.10200	4.6
97.47512	0.9
98.98466	4.0
104.10743	100.0
109.10162	10.7
111.11739	1.8
123.11715	4.0
125.00005	26.5
137.13257	2.4
184.07343	96.0
185.95218	1.0
221.22820	1.1
229.60809	1.4
239.23685	23.6
257.24844	3.3
258.11026	1.1
272.73947	1.0
309.94992	1.0
313.27371	79.4
327.28857	1.6
331.28433	15.1
338.27789	2.2
475.32816	1.9
487.27167	2.2
492.34586	10.9
510.35620	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	20.5
54.22803	1.2
55.01874	2.5
55.78776	1.0
57.03430	1.9
60.83441	1.0
65.03935	1.5
67.05489	3.7
68.05021	2.5
69.03436	13.7
70.02958	2.1
70.06588	1.4
71.04999	2.7
71.34657	2.3
72.08118	1.5
73.02914	2.6
79.05492	3.5
81.03425	43.2
81.07056	2.2
85.02915	15.2
86.09724	1.5
89.06025	3.3
91.04918	1.2
91.05485	23.1
93.07045	2.3
95.04955	3.6
95.08640	1.3
96.04485	11.5
97.02899	12.1
98.97569	2.5
99.04465	5.8
103.05499	1.4
105.07030	3.3
106.72643	0.9
107.04961	2.0
109.02889	25.6
109.06477	1.5
113.02367	4.1
119.04949	26.5
120.08076	1.5
121.06535	1.2
123.04449	3.7
124.03962	94.8
126.05531	7.7
127.03936	13.7
131.65242	1.1
133.06470	2.8
135.08055	1.7
137.06004	1.9
140.07068	1.3
142.05003	80.0
145.04956	2.5
147.04424	31.3
149.05981	1.8
154.05011	13.2
161.05998	6.7
163.03935	1.6
175.03912	24.2
177.05449	3.6
179.07053	14.4
184.06039	3.1
185.11627	1.5
189.05540	6.5
193.04990	6.9
197.08067	2.5
207.06509	13.7
209.07979	1.0
214.07034	1.1
221.91434	1.1
225.07605	1.6
226.07033	1.1
233.19633	1.4
237.02878	1.3
250.07123	4.5
266.15012	1.1
268.08179	65.3
280.08154	4.1
280.40170	1.1
284.47403	1.0
286.09225	100.0
304.10266	3.6
304.69156	1.1
327.83566	1.1
390.53836	1.2
414.80826	1.3
460.12384	2.7
468.15845	1.1
478.13492	8.8
486.12250	1.3
510.15500	3.8
510.22278	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.7
53.03944	3.2
55.05498	0.9
56.46029	0.9
58.67278	0.7
65.03920	2.0
67.05479	2.5
69.03436	7.6
69.07066	0.9
70.06583	0.8
71.01358	0.9
71.04999	1.5
71.55458	0.8
71.55812	0.9
73.02890	1.2
78.03453	10.0
78.03865	1.4
79.05492	2.6
80.05030	2.8
81.03419	17.7
81.07035	1.3
85.02905	6.9
86.09732	1.1
91.05485	24.2
93.07064	1.7
95.04993	4.1
96.04487	3.0
97.02885	5.7
98.97585	1.8
99.04448	2.6
100.11267	1.0
103.05446	1.0
105.07027	1.6
106.02914	40.4
107.04953	1.3
107.08553	1.2
109.02888	11.7
109.10088	1.0
118.04167	1.4
119.04946	29.8
121.10138	1.2
123.04441	2.7
124.03957	100.0
124.07576	1.4
126.09106	1.5
127.03915	7.4
129.03381	6.1
133.06506	2.9
136.06180	1.2
137.05916	0.8
145.02826	1.9
145.04915	1.2
147.04414	41.2
152.07045	1.5
161.05995	4.8
165.05492	4.8
167.07037	1.1
168.06528	0.9
175.03900	18.0
176.69476	0.9
177.05469	2.8
179.07045	3.5
185.11717	1.1
189.05472	40.8
193.04993	5.4
196.06058	1.5
207.06531	18.9
225.07574	2.2
232.05844	1.6
250.07109	26.7
268.08163	67.1
286.09201	10.2
286.12839	4.6
328.17648	1.1
460.12210	4.1
474.13889	0.9
489.92395	0.8
492.14963	9.9
510.18500	1.7
510.39929	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01865	4.6
55.05514	10.0
57.03426	1.6
57.07080	31.0
58.51078	0.9
59.33179	1.1
67.05511	42.4
69.03410	1.6
69.07075	12.5
71.04997	4.1
71.08244	1.2
71.08636	19.7
79.05500	11.4
81.03406	1.4
81.06599	2.4
81.07059	41.7
83.04968	3.9
83.08624	10.0
85.02904	1.2
85.06535	4.8
85.10189	11.7
87.04477	1.0
89.06023	3.4
91.05486	23.1
93.07051	10.0
95.04962	2.5
95.08614	21.4
95.68929	0.9
97.06522	2.4
97.10159	4.2
99.04433	2.1
103.17097	1.2
105.07033	31.6
105.07700	2.1
107.08602	20.9
109.06518	3.9
109.10160	53.3
113.06034	1.7
117.07018	1.3
119.08600	1.4
123.11708	11.6
127.00749	1.2
127.07574	2.9
131.08600	2.1
133.08583	2.7
133.10138	56.8
137.13286	1.2
151.11183	35.1
161.09647	1.9
169.12254	11.1
203.12238	1.2
215.12724	5.2
221.22560	1.2
227.12784	1.2
239.23683	5.8
252.51723	1.1
253.14362	48.1
509.32553	3.9
509.38422	100.0
510.39316	1.5
514.32880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.5
53.03942	4.9
55.01869	7.6
55.05514	31.8
56.96331	1.7
57.03456	10.9
57.07085	10.7
59.04995	2.9
65.03931	3.3
67.05509	59.8
69.03419	6.8
69.07072	47.3
70.68869	3.8
70.69183	2.0
71.04989	5.7
71.08609	6.5
79.05499	31.7
81.03423	45.1
81.07059	100.0
83.04985	16.3
83.08625	36.0
85.02908	23.2
85.06538	8.7
85.10192	2.5
91.05484	40.3
93.07051	38.1
95.04974	23.6
95.08614	84.3
97.02889	4.2
97.06529	7.1
97.10172	24.1
99.04453	3.2
99.08083	6.6
105.07040	35.0
107.04953	8.7
107.08602	36.3
109.02852	2.8
109.06532	7.7
109.10163	72.6
111.04456	6.2
111.08114	12.6
111.11736	17.4
112.18555	1.6
113.05998	3.2
117.07030	7.3
119.08608	14.0
121.06519	6.3
121.10133	19.2
123.08099	4.1
123.11731	29.1
125.09644	5.0
125.13272	11.2
129.07025	5.2
131.08604	11.9
133.06506	3.8
133.10141	36.0
135.08128	2.2
135.11681	12.5
137.06067	1.6
137.13269	23.8
139.11182	2.8
142.07765	2.8
143.08575	4.2
145.06537	1.7
145.10182	8.5
147.08070	4.4
147.11696	9.1
149.09653	5.7
149.13284	18.5
151.11189	18.6
151.14825	8.1
155.08478	1.7
155.14287	3.3
157.10153	5.4
161.09657	6.4
163.06006	2.5
163.11165	6.6
163.12408	1.5
163.14862	5.0
165.16432	5.9
167.14310	12.0
169.12279	6.8
169.15837	3.1
173.13246	1.6
175.11206	7.2
177.16368	3.8
179.10706	3.1
179.17999	4.4
188.40515	1.7
191.10722	4.4
193.12274	29.1
193.19469	4.1
205.19557	3.1
207.10239	6.3
209.11778	7.1
211.13297	42.8
215.12848	2.5
219.13965	2.2
219.16420	1.8
219.21143	3.8
227.12764	6.0
249.14864	3.0
263.27429	6.6
267.16028	7.8
275.27368	17.3
281.13782	4.1
281.28442	7.5
283.15457	4.5
285.17050	2.2
293.28381	40.2
293.31488	3.3
299.14948	5.9
311.29507	6.5
324.90436	1.9
353.86490	1.9
367.22400	2.6
373.23447	2.5
385.23758	2.0
417.22583	2.3
459.27310	2.7
477.28702	2.1
491.26163	11.8
509.27518	90.4
510.28021	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
53.09679	2.3
55.01862	7.2
55.05511	36.0
57.03427	9.0
57.07066	10.9
61.02924	3.7
65.03919	5.2
67.05181	4.7
67.05509	57.4
69.03425	8.6
69.07071	60.4
69.20891	19.3
69.21317	6.5
71.01363	6.2
71.04994	8.7
71.08620	4.7
79.05495	35.9
81.03426	26.4
81.06593	5.0
81.07061	99.8
83.04975	8.8
83.08152	4.0
83.08623	49.8
85.02912	33.0
85.06537	7.4
91.05485	31.0
93.07051	38.1
95.04974	20.0
95.08614	100.0
97.02898	10.5
97.06528	8.0
97.10172	32.1
99.04421	3.4
99.08128	6.5
105.07044	22.4
107.04961	14.8
107.08621	30.5
109.02909	3.4
109.06506	8.2
109.10165	75.1
111.04442	4.9
111.08086	9.7
111.11740	17.2
113.09675	2.8
115.05455	2.8
116.37001	2.7
117.07024	7.7
119.08580	18.4
121.06522	5.8
121.10166	16.7
123.04390	4.5
123.08073	6.9
123.11718	40.9
125.09618	9.5
125.13279	21.0
127.03947	7.1
129.06993	6.8
129.47110	2.5
131.08583	7.7
133.10153	15.0
135.08064	2.9
135.11728	13.2
137.09586	3.1
137.13263	30.6
143.08569	3.5
145.04987	8.4
145.10164	5.9
147.08067	2.9
147.11650	8.2
149.09677	2.8
149.13319	12.5
151.11157	5.0
151.14809	20.4
153.09196	2.8
153.12750	6.5
155.08531	4.0
155.14328	4.3
157.10127	3.6
159.11824	2.7
161.09662	5.8
163.06027	11.7
163.11176	10.4
163.14848	6.5
165.16422	10.2
169.15878	9.6
173.09592	6.0
175.11220	5.3
177.16370	5.6
179.17950	8.0
191.10759	4.9
193.12242	19.3
193.19476	7.3
205.19511	3.5
207.10220	3.7
209.11760	13.1
211.13251	16.7
212.33156	2.7
219.13850	2.8
225.11223	6.0
227.12816	13.5
249.25826	2.6
267.15979	4.9
275.27313	17.6
281.28400	4.2
283.15417	9.4
293.28403	31.8
299.14926	4.6
305.28525	3.1
311.29288	4.4
321.41357	2.8
367.22565	4.3
371.28873	2.9
373.23587	5.0
399.21622	4.2
401.30374	4.3
419.31384	3.5
459.27292	5.1
477.28369	4.9
491.26248	15.7
509.11697	5.0
509.27374	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	509.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.4
55.01866	24.9
55.05512	73.3
57.03433	19.5
67.05505	95.3
69.03422	9.7
69.07064	23.1
70.05799	21.6
71.04990	20.1
79.05497	90.0
81.03416	41.2
81.07052	73.9
83.04993	24.0
83.08606	32.5
85.02910	9.4
85.06557	9.6
91.05474	58.2
93.07040	76.7
95.04965	55.0
95.08604	42.7
97.02903	8.8
97.06531	18.0
97.10172	46.8
98.15810	5.7
105.07025	50.4
107.04973	52.0
107.08600	56.0
108.18484	4.8
109.06522	41.6
109.10154	19.1
111.04427	8.4
111.08081	9.6
115.05484	6.0
117.06998	27.4
119.08577	33.3
121.06514	31.3
121.10143	43.5
123.08078	15.2
123.11735	5.7
125.09630	43.9
129.07010	18.5
131.08565	34.6
133.06555	6.8
133.10121	17.3
135.08037	14.1
135.11693	9.0
137.09540	5.5
141.07022	7.4
143.08540	12.0
145.06493	24.6
145.10143	30.7
147.08041	12.7
147.11652	12.7
149.05937	7.1
149.09631	15.8
151.11145	6.2
153.09106	5.6
153.12743	5.3
155.08585	10.8
157.10120	14.7
159.08099	5.3
159.11678	13.5
161.09602	5.3
163.11168	29.5
167.10614	11.1
169.10011	5.9
171.11633	5.7
173.09602	9.0
173.13228	11.7
175.11159	9.4
181.12227	7.7
187.14915	6.9
189.11226	18.5
189.12782	6.3
191.10750	7.6
193.12244	17.1
199.11087	7.8
199.13263	18.6
209.11646	28.4
211.13264	15.0
219.13838	26.5
223.13315	9.2
227.12730	39.7
227.78529	5.8
233.15289	18.8
246.46783	4.7
255.13730	7.9
265.14471	8.7
267.15842	11.6
273.14621	8.9
273.17166	6.8
283.15414	15.1
293.17490	11.7
304.56302	5.9
339.23184	5.8
342.66202	5.6
349.21594	21.9
367.22635	60.0
385.23743	67.5
403.24744	24.6
417.26138	7.3
441.26364	8.4
459.27338	100.0
477.28403	64.1
491.30655	25.5
509.22400	10.7
509.28622	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	509.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83638	0.7
53.03931	1.3
54.53262	0.7
55.01860	1.1
55.05512	11.6
57.03442	7.3
57.07075	1.7
65.03917	1.0
67.05506	24.5
69.03455	0.8
69.06734	0.9
69.07072	12.6
71.04964	0.8
71.08606	0.7
71.55818	1.0
79.05498	7.7
81.03406	0.8
81.07056	25.6
83.04973	1.9
83.08624	7.5
85.06534	0.9
91.05481	5.5
93.07050	8.3
95.04939	0.8
95.08607	20.1
97.06519	2.4
97.10171	3.4
98.98467	16.6
99.08079	0.9
105.07026	4.1
107.08586	4.7
109.06577	0.7
109.10161	8.1
111.08054	0.7
119.08590	3.8
121.09338	0.7
121.10086	3.8
123.11696	2.2
125.09595	0.8
130.60071	0.7
133.10126	3.2
135.11671	1.9
137.13277	1.1
145.10152	1.0
147.11693	2.2
149.13255	1.6
155.01033	3.4
161.13316	1.3
163.11128	1.0
163.14841	0.8
166.83684	0.7
173.02124	2.0
175.14726	0.9
184.07332	1.7
217.19620	0.7
245.22696	1.1
263.23660	2.2
287.65289	0.8
337.27374	100.0
338.27887	1.2
387.18484	0.9
509.32843	3.7
527.32001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2746
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.03935	7.8
55.01636	2.4
55.01875	35.9
55.05514	41.4
56.21443	1.6
56.31277	1.8
57.03436	14.7
57.07067	7.5
59.04984	5.3
65.03940	3.3
67.05508	68.6
69.03422	9.5
69.07066	18.3
71.01353	4.1
71.04982	7.6
73.02916	3.6
79.05495	62.2
81.03422	26.8
81.06599	2.8
81.07059	48.2
82.02663	1.7
82.04200	6.0
83.01344	10.2
83.04984	34.9
83.08619	23.0
85.02908	9.2
85.06522	3.3
91.05481	44.0
93.07047	57.9
94.07844	1.8
95.04972	28.1
95.08612	27.0
97.02903	11.3
97.06517	17.8
97.10175	13.2
98.07305	9.8
99.04450	5.7
99.08076	2.5
105.04533	2.1
105.07030	25.1
107.04958	16.1
107.08594	31.7
109.02879	2.5
109.06523	14.7
109.10155	25.9
111.04454	9.1
111.08083	8.3
113.06035	1.7
115.18269	2.1
116.04736	2.0
117.05564	2.3
117.06997	16.7
119.08585	23.0
120.08139	2.0
121.06527	8.5
121.10135	19.4
123.04411	2.5
123.08091	16.4
123.11707	3.3
124.05285	1.9
125.05971	3.0
125.09623	11.8
127.11135	2.7
128.06181	1.7
129.06999	6.0
130.07785	2.4
131.08569	11.7
133.10126	13.5
135.08018	5.2
135.11681	23.4
137.09599	7.1
139.07501	2.4
143.08562	2.5
145.06509	2.7
145.10127	26.5
147.08115	5.5
147.11697	6.2
149.06068	2.1
149.09622	3.2
151.11174	2.2
153.09109	2.0
153.12727	6.3
155.08589	2.8
157.10185	4.7
158.05739	6.4
161.09650	2.0
163.03889	2.3
163.11172	39.7
165.12698	2.0
171.06517	7.7
173.09596	6.3
173.11780	3.4
173.13210	1.7
175.11093	1.7
181.12187	9.8
184.07297	2.2
185.08087	2.6
185.24776	1.6
189.05536	3.4
189.11325	2.1
191.10626	9.1
193.12288	5.1
199.09590	2.4
201.14825	8.0
209.11751	20.7
210.12459	3.5
211.13318	4.2
225.11191	3.6
226.12003	3.2
227.12758	13.9
242.15297	2.0
255.15926	4.2
265.14563	2.4
267.16006	3.7
283.15421	20.1
295.15372	2.8
311.22159	3.3
337.16510	12.9
351.18158	3.4
365.19531	7.1
379.24933	3.5
393.22855	3.8
402.06100	2.2
407.24173	3.1
408.25055	3.6
437.25244	11.5
463.26788	3.5
491.26382	9.7
492.26941	3.8
509.27451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2748
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.00296	3.9
53.03935	3.9
55.01860	4.2
55.05513	24.5
57.03434	6.3
57.07071	1.2
59.04995	3.3
65.03934	2.1
67.05182	1.5
67.05511	22.6
69.03454	4.9
69.07072	6.7
69.45062	8.0
71.01334	2.0
71.04980	3.4
73.70429	1.0
79.05499	23.3
81.03420	37.5
81.06588	2.1
81.07056	32.2
81.27805	1.0
83.04974	8.9
83.08630	21.3
85.02909	18.0
85.06545	2.9
89.95716	1.2
91.05485	33.5
93.07047	21.2
95.04979	17.1
95.08612	10.9
97.02895	5.8
97.06525	4.1
97.10172	5.0
99.00822	14.1
99.04443	1.2
103.05470	2.2
105.07030	24.7
105.07697	2.0
106.67000	0.9
107.04968	6.9
107.08577	11.3
109.02892	8.1
109.06507	6.1
109.09515	1.3
109.10152	8.4
111.04455	2.3
111.08081	9.6
113.05939	1.1
115.03889	2.2
115.05475	1.8
117.07014	2.8
119.04925	1.0
119.08590	18.5
121.06514	6.7
121.10149	6.0
123.04414	1.2
123.08083	3.2
123.11713	3.5
125.09653	2.2
127.03960	2.3
128.06258	1.5
129.06981	6.4
131.08556	6.8
133.06505	3.0
133.10133	28.2
133.11111	2.1
135.08032	1.5
135.11696	4.2
137.06001	1.3
137.09627	1.7
138.82227	1.0
139.07544	1.6
143.08536	4.0
143.48019	1.2
145.06497	2.1
145.10132	3.1
147.08049	3.6
147.11693	7.8
149.09607	3.3
149.13258	1.9
151.11197	7.9
157.10118	7.1
161.09624	12.2
163.11220	4.8
165.12766	1.7
171.08069	2.2
173.13242	1.1
175.11197	7.6
179.10709	9.4
181.12390	1.0
189.09114	7.5
189.10913	1.4
191.17847	1.1
193.12257	34.3
197.11766	1.7
207.10202	3.9
209.11835	2.0
211.13304	48.2
219.13791	2.1
225.11205	11.3
227.12697	3.4
243.12280	1.9
249.14719	1.2
267.15979	5.8
281.13852	4.2
283.15396	2.4
285.17056	1.5
293.28448	2.2
299.14905	5.3
380.80762	0.9
463.27298	1.6
473.25754	1.9
491.26486	7.3
509.27475	100.0
510.28027	1.5
516.72546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
60.07924	0.3
60.08164	5.0
67.05506	2.9
68.05814	0.6
69.07063	0.9
69.83018	2.3
71.07386	2.5
79.05495	1.5
80.05840	0.4
81.07066	2.1
82.07381	0.5
83.08615	0.5
86.09705	30.2
93.07034	1.6
95.08607	1.2
96.08931	0.7
96.36123	0.5
98.98474	3.5
104.10732	3.3
105.07030	1.0
107.08617	0.8
109.10160	0.7
119.08553	0.4
124.10983	0.4
125.00007	17.6
131.08623	0.7
147.11627	0.5
184.07339	100.0
271.60236	0.4
283.98480	0.6
335.25992	0.6
336.26071	4.4
373.98721	0.4
490.33142	0.9
508.34067	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	509.2748
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
50.92903	0.9
51.02365	1.1
53.03938	4.5
55.01880	5.4
55.05513	24.1
57.03437	10.4
57.07075	1.9
59.04996	1.0
65.03931	2.6
67.05509	44.1
69.03428	6.2
69.07069	15.2
69.88824	4.1
71.01362	7.6
71.04996	6.4
79.05495	36.9
81.03419	44.3
81.07056	48.0
83.04984	13.2
83.08623	22.0
85.02907	22.6
85.06546	4.5
91.05486	38.2
91.05941	0.7
93.06490	1.9
93.07050	26.6
95.04971	26.8
95.08063	1.9
95.08612	21.7
97.02892	4.1
97.06528	7.5
97.10172	9.5
98.21413	1.7
99.04485	1.9
99.08090	1.9
99.29412	0.9
103.05449	2.0
105.07033	27.6
107.04969	7.8
107.08595	22.9
109.02860	1.3
109.06516	8.5
109.10155	27.4
111.04453	4.3
111.08083	9.6
111.11707	1.6
113.06010	2.1
115.05448	1.9
117.07012	5.6
119.04875	1.2
119.08595	15.1
121.06483	4.7
121.10135	11.1
123.04508	1.6
123.08083	4.5
123.11710	7.7
125.05949	1.3
125.09631	5.9
125.13259	0.9
127.03887	1.2
127.07620	1.2
128.06229	1.3
128.45056	1.0
129.07014	7.9
131.08571	8.9
133.06499	3.4
133.10133	25.9
134.81392	0.9
135.08057	3.2
135.11703	4.0
137.05978	1.9
137.09608	2.5
137.13293	2.1
139.07414	1.0
142.07758	2.3
143.08614	1.5
145.06464	1.5
145.10106	3.6
147.08089	2.7
147.11693	8.1
149.09660	5.7
149.13225	3.1
151.11177	11.4
151.14871	1.8
153.09099	1.7
157.10098	8.0
159.11673	1.4
161.09627	2.9
163.03955	1.0
163.11183	3.9
165.09142	1.6
165.12787	2.8
167.10655	1.3
167.14264	1.1
169.12282	2.7
175.11209	8.1
179.08562	1.0
179.10739	2.9
187.11157	1.5
189.11165	1.8
193.12251	37.8
203.10472	1.0
209.11739	2.9
210.09033	0.9
211.13295	48.2
211.99211	0.9
215.12885	1.9
217.54526	0.9
219.13878	3.0
225.11226	7.4
227.12816	2.5
243.12355	1.9
249.14943	1.5
253.14246	1.6
267.15884	6.7
273.14713	1.3
275.27432	2.9
281.13892	1.9
283.15430	2.5
285.16681	1.3
293.28470	4.5
299.14886	5.1
311.29361	1.7
367.22784	2.9
373.23941	2.4
385.23853	2.4
403.24713	1.0
417.22644	1.4
459.27332	5.1
477.28339	2.4
491.25867	7.2
509.27460	100.0
510.27917	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03937	1.7
55.05503	0.8
57.03427	0.7
57.07044	0.7
58.56890	0.5
63.02375	0.5
64.08926	0.6
65.03945	3.1
67.05489	0.9
69.03416	1.5
69.32150	4.4
73.02887	0.7
79.05504	7.4
80.05000	0.7
81.03424	4.8
81.05765	1.8
81.07054	0.6
83.05003	1.0
83.25980	0.5
85.02904	2.5
89.03908	4.6
91.05488	1.1
92.05008	7.0
93.07009	0.7
94.06561	1.0
95.04969	1.8
95.51041	0.6
96.08139	6.7
97.02891	1.8
105.03387	1.6
105.04506	0.9
106.06560	39.4
107.04964	0.7
108.08121	8.8
109.02854	1.5
109.05257	1.5
109.15961	0.5
115.03934	0.9
117.03379	18.6
119.04962	0.8
121.10082	0.5
122.06001	0.7
123.06820	6.2
124.07595	27.8
130.06558	1.0
134.03752	1.0
134.06017	26.2
135.04414	1.0
136.07552	3.2
137.05978	0.9
145.02849	53.2
147.04387	1.1
148.07539	0.8
149.05991	6.1
150.05490	0.6
151.03896	1.9
152.07068	74.4
167.07062	1.0
170.08130	48.9
173.70755	0.7
177.05472	100.0
179.07010	0.7
186.05498	1.7
195.06619	0.8
197.08177	0.9
204.06451	0.8
219.45894	0.5
222.09125	0.8
225.74634	0.6
227.09140	0.8
239.09540	1.0
250.08569	1.4
267.08893	2.1
282.11276	1.9
310.10791	2.9
314.12415	2.2
321.09714	4.5
328.11691	1.8
332.13486	8.3
339.10712	3.8
472.16022	1.1
490.17059	24.5
508.18149	64.5
508.24268	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.2
58.06601	4.1
65.13023	0.2
67.05502	0.5
68.43751	0.2
68.72118	0.2
69.03448	0.3
69.07071	3.6
70.06590	1.8
71.07371	0.2
71.56043	0.2
72.08152	0.7
77.10127	0.2
79.05492	0.3
81.07056	0.6
84.08144	1.9
85.02901	0.4
85.08931	4.8
86.09721	1.0
91.05480	0.4
93.07043	0.6
95.08616	0.4
97.06529	0.2
98.97604	0.4
100.11266	2.2
104.22646	0.2
107.08569	0.2
109.10163	0.3
114.12813	100.0
114.23862	0.2
115.13132	0.3
117.01159	0.2
120.08077	0.2
121.10139	0.3
125.34056	0.2
133.10149	0.2
141.06943	0.2
145.02866	0.2
153.01874	0.3
157.13379	0.2
163.03857	0.3
166.08615	0.2
174.18687	0.2
175.10876	0.2
177.05551	0.3
259.09818	0.3
299.32352	0.2
302.37604	0.2
349.24878	0.2
352.04614	0.2
359.23395	0.4
377.24561	0.6
382.27243	0.3
384.28534	2.7
447.07541	0.2
490.08768	0.3
490.32623	0.8
508.26678	0.4
508.33902	7.1
509.12274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.8
57.03440	1.3
57.07079	33.5
61.53559	1.4
65.03942	2.2
67.05507	39.3
69.07072	16.3
69.43401	1.3
71.04974	1.9
71.08631	22.1
71.55141	2.6
79.05486	17.2
81.03428	6.2
81.07059	50.1
81.38887	1.6
82.03746	2.0
83.04999	2.2
83.08623	16.8
85.06543	2.5
85.10188	13.0
91.05487	12.2
93.07053	24.5
93.07635	2.0
95.04961	4.4
95.08617	27.7
97.06555	5.0
97.10184	5.2
99.11676	1.9
105.07031	4.3
107.08607	13.8
109.10154	12.1
111.08116	2.4
117.07047	4.7
121.10152	6.2
123.11699	4.6
129.07027	1.6
131.08569	4.9
133.10147	6.4
135.11723	4.6
147.11687	1.6
147.14714	1.5
149.13235	14.2
159.11717	5.7
177.12790	2.8
195.13881	9.5
221.22768	1.6
239.23769	6.5
268.20895	1.3
324.25223	1.5
507.28076	3.5
507.40509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3682
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
52.74818	5.2
53.03931	6.0
55.05507	10.0
57.07065	6.6
59.04990	13.1
62.23394	4.9
67.05508	47.9
69.07059	18.9
69.64879	36.6
69.87433	4.7
71.04980	23.3
79.05524	29.7
81.07063	78.6
83.08609	18.8
85.06537	15.1
91.05489	32.1
93.07047	65.0
95.04966	9.8
95.08619	100.0
97.06528	9.1
97.10123	7.0
105.07026	70.2
107.08588	75.7
109.06487	9.2
109.10144	46.8
111.08036	8.2
115.07545	7.5
117.07026	13.7
119.08578	62.2
121.10149	45.0
123.08049	19.4
123.11705	17.5
127.07542	17.3
129.09061	8.5
131.08571	40.6
133.10133	67.3
135.11707	35.1
137.09578	6.1
142.07735	5.2
143.08560	18.5
143.10684	6.3
145.10146	47.2
147.11708	55.0
149.09645	8.0
149.13234	22.4
153.09036	6.9
155.08597	6.7
157.10159	27.7
159.10362	9.9
159.11696	47.3
161.09610	15.2
161.13327	29.9
163.11185	10.7
163.14873	11.3
165.09203	6.2
171.11682	16.1
173.13287	29.8
175.11160	13.3
175.14772	14.4
177.12724	6.9
179.10690	5.5
181.12273	8.0
185.13271	22.7
187.11127	6.6
187.14778	15.5
189.05470	13.0
189.12807	7.5
189.16399	15.7
197.13329	8.5
199.14825	23.1
201.16306	9.0
203.14247	7.8
205.15886	6.5
209.15445	7.6
211.14966	9.2
215.14175	8.1
217.15823	11.0
221.15308	9.4
231.17447	10.5
232.26300	5.7
235.16994	15.7
247.16888	9.5
249.18436	12.4
257.37991	6.1
287.19833	7.8
329.24841	29.9
341.24811	5.8
347.25961	9.7
370.81393	5.5
395.29492	33.1
413.30371	19.5
423.32516	10.1
435.32520	25.6
441.33966	9.3
453.33774	36.4
471.34647	37.0
489.35739	65.3
507.29446	7.3
507.36832	9.0
529.71057	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	507.2723
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03941	1.9
53.18158	0.8
54.84865	0.8
55.05514	8.2
55.85470	0.9
57.03442	8.9
57.07075	1.3
65.03934	1.8
66.64550	0.9
67.05509	33.2
69.03413	1.0
69.07082	7.4
69.53172	0.9
71.04992	1.5
71.41364	1.4
76.08945	0.8
78.76139	0.8
79.05076	1.5
79.05501	17.4
81.03387	1.0
81.06595	1.7
81.07064	30.3
83.04996	1.7
83.08620	3.9
83.58568	0.8
91.05491	9.3
93.07047	20.5
93.53500	0.9
95.04958	1.2
95.08617	25.7
97.06541	1.5
97.10173	1.1
98.98480	22.4
104.10764	0.9
105.07047	6.9
107.08603	10.4
109.10157	9.9
109.82537	0.9
117.07033	1.8
119.08578	5.2
121.10136	7.3
123.08100	0.9
123.11745	2.1
125.00079	1.0
125.09663	0.9
131.08563	3.4
133.10141	5.6
135.11711	4.6
145.10144	3.6
147.11700	2.7
149.13263	2.9
155.01059	2.4
159.11710	3.2
161.13318	2.1
168.29634	0.9
173.02109	3.4
173.13278	1.9
184.07346	3.4
187.14894	1.5
195.72630	0.9
199.14848	0.9
243.21140	1.8
247.05730	1.0
261.22113	3.9
301.97797	0.9
317.24808	1.0
335.25824	100.0
377.74594	1.0
405.21927	1.2
410.49023	1.0
443.24637	1.4
461.25592	2.8
507.30765	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	507.2802
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
53.03944	1.1
55.01859	2.7
55.05508	4.9
57.03445	4.0
57.07077	1.1
60.33343	0.6
61.02923	2.0
67.05492	2.2
69.03434	10.3
69.07070	8.8
70.62197	1.4
70.70989	0.5
71.01351	0.9
71.04989	1.7
73.02920	10.7
79.05490	3.3
81.03408	2.7
81.07060	10.5
83.08623	7.3
85.02910	22.4
85.06539	2.0
87.04453	0.8
91.03966	0.8
91.05476	2.3
93.07042	7.0
95.08608	22.2
97.02901	15.0
97.06493	0.6
97.10168	4.2
98.20852	0.9
99.04489	0.9
99.08099	13.1
100.95381	0.6
103.03957	1.1
105.07030	2.2
107.07887	1.2
107.08599	21.9
109.02872	2.3
109.10168	4.8
111.08083	5.1
113.09637	1.2
115.03938	5.9
119.08562	2.1
121.10146	39.1
123.08091	0.6
123.11699	1.8
125.09666	3.4
127.03928	6.7
131.35536	0.7
133.04987	7.6
133.10138	0.8
135.11696	8.3
137.13289	5.1
145.04932	7.7
149.13231	3.1
160.87166	0.6
163.06049	4.2
177.16394	100.0
195.15636	1.0
195.17448	20.1
213.18507	39.0
223.06088	1.5
241.07097	1.6
249.02832	0.8
259.08191	1.8
273.11612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.5
56.96553	5.1
57.03453	5.3
67.05225	4.9
67.05513	46.2
69.07066	14.7
69.86363	16.9
69.86771	8.6
72.78976	4.7
79.05485	37.7
81.07062	69.0
83.08624	8.6
91.05478	46.1
93.07050	78.4
95.08612	100.0
97.02898	5.4
97.06528	5.9
105.07040	74.6
107.08600	90.6
109.06523	5.4
109.10162	61.6
111.04414	6.9
111.08089	10.7
115.48918	5.5
117.07017	16.3
119.08574	71.5
121.10111	40.9
123.08039	7.4
123.11727	13.6
125.06021	6.8
128.06194	5.1
129.06998	7.6
131.08611	29.5
133.10132	48.7
135.07999	5.5
135.11705	27.8
137.25877	4.8
143.08582	17.2
145.10124	55.5
147.11684	36.5
149.09552	6.0
149.13226	11.3
149.94373	4.5
153.09154	4.5
155.08542	9.4
157.10104	22.4
159.11687	37.6
161.09605	12.7
161.13254	32.9
163.04010	8.4
163.11127	6.8
163.14847	6.4
167.10640	5.7
169.08740	4.9
169.10065	7.5
171.11743	16.0
173.13278	30.2
175.11205	11.2
175.14818	13.7
177.09163	4.9
177.12733	5.3
179.10643	6.0
183.11728	10.1
185.13322	12.4
187.14809	11.2
189.16446	8.3
193.12239	9.2
197.13278	8.9
199.14836	18.9
201.12701	5.5
201.16417	21.4
203.10527	4.7
203.14386	6.4
203.17986	5.6
207.13831	6.5
209.13211	6.3
211.14767	8.4
213.16284	9.4
215.14394	5.9
215.17944	8.8
217.15904	7.8
219.13799	12.8
219.17424	6.7
221.15306	10.7
227.17937	4.9
231.13768	5.8
233.15407	10.8
233.18901	4.9
249.16418	6.4
267.20752	7.0
327.23160	16.9
329.24768	6.9
395.29343	10.9
435.32492	18.1
453.33719	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	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16872	1.0
53.03936	5.1
55.01884	1.8
55.05515	15.6
57.03431	2.0
57.07077	45.2
59.22913	1.2
65.03922	1.7
67.05505	32.6
69.03436	2.2
69.06798	1.1
69.07074	13.5
71.04986	1.8
71.08231	2.2
71.08633	31.4
71.19839	2.4
73.74630	1.1
79.05500	13.7
81.03421	100.0
81.07056	29.5
83.04977	4.6
83.08619	31.2
85.06522	1.2
85.10189	14.8
91.05485	21.4
93.07040	8.4
95.04967	25.5
95.08607	29.4
97.02870	1.5
97.06556	2.0
97.10188	10.8
99.08112	1.2
105.07024	15.4
107.04958	7.0
107.08591	5.4
109.06490	1.8
109.10168	13.4
111.04393	2.0
111.08072	5.9
111.11716	1.9
112.71007	1.1
115.05448	1.5
117.06985	2.1
119.08590	13.4
121.06502	2.9
121.10130	6.3
123.08117	1.5
123.11697	7.2
125.13265	1.6
128.06252	1.5
129.06993	10.1
131.08530	6.3
133.06454	3.1
133.10121	4.0
137.09636	1.6
137.13264	2.5
139.99687	1.1
142.07777	2.4
146.31598	1.1
147.08044	2.6
147.11711	6.1
149.09616	4.9
157.10115	8.2
166.82484	1.3
173.11794	1.3
173.13284	1.4
175.11186	9.3
193.12250	42.5
195.09880	8.0
227.12695	1.3
239.23697	11.9
249.14902	7.7
251.12581	3.5
311.25867	1.6
313.27118	1.6
381.78116	1.3
445.20007	3.9
446.21060	1.6
505.22549	5.4
505.34451	70.5
505.38858	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3526
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
50.94513	1.2
55.01866	1.6
55.05503	4.3
56.96574	1.8
57.03442	2.7
59.04989	3.3
60.36951	1.1
66.03326	1.2
67.05510	11.8
69.03451	3.0
69.07069	6.7
70.16282	3.7
71.05028	5.9
71.05332	1.1
73.02914	1.2
79.05502	11.8
81.03416	3.9
81.07055	23.3
82.93303	1.2
83.04977	3.1
83.08624	3.5
85.02910	4.0
85.06561	3.4
87.04470	1.7
91.05481	12.0
91.85487	1.2
93.07050	19.0
95.04979	4.6
95.08614	31.0
97.06541	4.8
97.10159	1.7
98.21438	1.4
102.70697	1.4
105.07034	21.5
107.04912	1.2
107.08601	24.4
109.06545	4.0
109.10162	9.5
111.08110	2.7
115.07600	1.5
117.07000	5.8
119.08604	19.1
121.06548	1.8
121.10146	15.1
121.11530	1.5
123.08082	3.2
123.11691	2.4
124.21740	1.3
125.09650	2.0
127.07588	2.7
128.06189	1.3
129.07021	3.8
131.08585	12.7
133.10138	15.9
135.11690	7.9
139.11194	1.3
143.08562	7.1
143.10669	3.4
145.10141	16.6
147.07980	2.7
147.11702	12.7
149.09636	2.5
149.13263	4.0
156.09399	1.6
157.10146	9.0
159.10286	1.8
159.11667	17.9
161.09674	2.4
161.13232	8.4
163.11276	2.3
163.14824	1.7
165.09120	2.4
169.10135	3.8
171.11700	6.2
173.13277	9.2
175.11198	1.8
175.14848	3.4
177.09175	1.5
177.12743	1.3
183.10220	1.3
183.11700	3.5
185.13281	6.6
187.14879	4.9
189.12833	1.8
189.16660	1.3
191.14412	1.9
192.10243	1.3
193.12291	1.6
197.13289	2.8
199.14661	2.3
201.12749	2.7
201.16417	1.9
203.14404	2.1
211.14902	2.5
213.16295	2.1
215.14288	1.9
217.15831	2.3
219.13931	1.7
221.11586	4.8
221.15384	3.4
227.17914	1.3
229.07639	1.5
229.19604	1.5
233.15483	3.8
235.16907	1.7
245.15375	1.7
247.16910	1.8
251.12593	2.3
277.14142	3.1
307.15240	2.7
327.23331	3.7
329.24860	1.5
339.22687	1.6
345.24356	3.1
393.28079	4.3
400.79153	1.4
411.29013	5.7
415.29495	1.9
429.30283	2.0
433.31104	3.9
439.31851	1.7
451.32022	7.7
467.75064	1.4
469.32944	6.3
487.34225	9.4
505.27844	100.0
505.35165	13.4
528.65460	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01863	3.3
55.05507	12.3
56.96547	2.3
57.07084	2.5
59.04992	4.8
67.05508	26.8
69.03424	14.2
69.07074	14.0
69.43372	14.7
71.04993	9.9
77.26768	2.1
79.05486	27.1
81.03416	2.5
81.07057	44.8
83.04987	6.7
83.08621	8.0
85.02892	5.2
85.06532	6.6
87.04456	6.7
91.05469	26.5
93.07047	46.1
95.04964	4.6
95.08609	45.1
96.78669	1.9
97.06513	5.6
97.10106	2.1
98.60349	2.2
99.04453	2.6
99.08115	3.6
105.04565	2.3
105.07030	55.1
105.07700	4.5
107.08598	54.2
109.06533	6.6
109.10160	30.0
111.08076	4.9
115.07543	2.4
117.07009	8.5
119.08586	54.0
121.06478	4.8
121.10145	100.0
123.08044	8.1
123.11730	12.7
125.09607	5.2
127.07554	5.9
128.06233	2.6
129.06981	7.8
129.09160	2.5
130.07759	3.0
131.08562	23.6
133.10135	45.3
135.08122	4.7
135.11697	37.6
137.09642	4.3
137.13280	3.7
139.07550	19.3
141.07016	2.4
142.07861	2.2
143.08553	10.4
143.10654	3.6
144.09357	3.5
145.10141	33.7
147.08054	3.7
147.11700	30.0
149.09627	5.0
149.13252	12.9
151.11195	2.5
153.09087	3.1
155.08490	3.0
157.10159	19.6
159.11703	42.6
161.09607	9.9
161.13235	22.6
163.11180	7.1
163.14807	6.5
165.12732	2.5
167.10695	3.0
169.08563	2.6
169.10059	5.0
171.11707	13.2
172.91826	2.4
173.09601	2.6
173.13275	24.4
175.11194	8.7
175.14877	12.7
177.12755	6.2
179.10704	3.8
181.12216	6.6
183.11754	4.7
185.13309	13.6
187.11165	4.3
187.14832	12.5
189.12761	4.8
189.16385	6.8
191.10498	2.4
191.14307	3.9
193.12221	4.8
195.13803	3.0
196.74004	2.2
197.13295	5.0
199.14732	11.6
201.12799	4.4
201.16357	5.9
203.14328	6.3
205.15927	3.9
207.13808	5.7
209.15379	4.2
211.14778	4.1
213.16348	4.6
215.14345	5.3
215.17976	3.9
217.15930	6.0
219.13834	7.7
221.15338	8.4
223.14879	2.4
225.16371	4.1
227.14494	2.8
227.17867	3.1
229.07568	3.1
229.15936	4.3
231.17464	5.1
233.15437	15.8
235.16943	14.3
239.18097	2.3
241.19484	3.0
247.16986	9.5
249.18497	8.5
251.16530	4.9
259.16821	2.5
275.20374	3.1
277.21481	2.9
311.23560	2.9
315.16376	2.3
327.23209	6.6
333.17273	4.0
339.26819	5.7
353.24850	2.3
357.27850	27.7
375.29227	12.7
393.27850	6.9
395.29218	4.7
411.28888	12.4
429.29898	4.4
433.31152	10.8
439.31699	4.5
441.33533	2.6
451.32043	27.7
469.33209	32.6
487.16464	2.9
487.34296	35.4
504.66476	2.3
505.27686	9.5
505.34988	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	505.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.0
55.05508	12.3
67.05504	21.8
69.07074	16.4
69.49669	20.2
69.50082	16.0
79.05500	28.7
81.07062	46.7
83.08620	13.7
91.05481	26.1
93.07064	38.5
95.08621	59.2
98.20778	11.0
99.08086	8.9
105.07038	64.6
107.08595	57.5
109.10159	30.9
117.07016	8.5
118.28612	4.7
119.08582	100.0
121.10122	34.6
123.11746	7.4
129.07002	7.6
131.08594	33.6
132.11415	5.2
133.10132	36.0
135.11720	12.0
143.08604	25.7
145.10112	56.0
147.11700	30.5
149.13258	14.9
155.08569	13.3
157.10138	40.4
158.10901	6.5
159.11694	43.8
161.13300	31.8
163.07532	6.0
163.14819	14.2
169.10147	14.3
171.11687	26.1
173.13289	31.1
175.14824	27.7
177.12776	6.6
177.16350	9.2
183.11667	11.5
185.13206	31.5
187.14828	43.3
189.12833	5.6
189.16400	11.6
192.34311	5.0
195.11713	8.8
197.13297	7.1
199.14857	36.2
201.16359	35.1
203.14357	8.9
203.17917	6.8
205.15845	8.6
209.13246	11.3
211.14815	8.0
213.16402	22.3
215.14420	6.0
215.18034	7.8
217.15689	10.6
219.17329	5.3
221.15250	4.9
223.14842	8.6
225.16420	10.5
226.24579	6.5
227.17882	10.2
239.17799	9.1
241.19540	6.5
245.15451	9.7
247.17004	8.9
251.18112	9.4
253.19540	6.2
257.15436	5.4
299.23941	8.4
325.21576	8.7
327.22964	5.6
379.27579	5.6
387.30566	24.0
395.29364	25.3
405.31534	65.4
423.32303	25.6
433.31073	48.9
451.32141	60.9
459.34119	5.4
469.33038	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	505.3524
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
50.43676	5.0
53.03943	5.3
55.01863	8.2
55.05496	14.9
56.03403	4.5
57.03445	4.9
57.07085	5.1
59.05002	26.7
63.41527	4.3
65.74569	4.6
67.05511	42.6
69.03424	14.3
69.05489	4.8
69.07065	17.3
69.45294	20.4
69.45698	11.7
71.04998	36.6
72.93329	4.5
76.31389	4.4
79.05497	39.4
81.07060	100.0
83.04971	6.7
83.08611	12.8
85.06564	14.6
87.04463	16.0
91.05465	28.3
93.06564	6.7
93.07054	65.8
95.04994	7.0
95.08607	89.8
95.22038	4.9
97.06518	18.3
105.07036	92.1
107.08598	80.2
109.06534	14.6
109.10149	46.8
111.08096	8.5
115.07606	6.0
117.07025	20.9
119.08578	77.8
121.06492	11.1
121.10152	70.9
123.08053	12.7
123.11694	13.9
125.05992	8.0
127.07554	19.0
129.07079	6.5
131.08582	51.7
133.10139	69.5
135.08086	7.0
135.11688	30.5
142.07715	7.6
143.08572	37.2
143.10669	23.8
145.08464	6.2
145.10132	63.2
147.08153	4.9
147.11668	52.8
149.13266	14.7
151.11194	5.3
153.09099	6.2
155.08559	9.1
157.10133	34.6
159.11711	70.7
161.09612	14.3
161.13268	27.3
163.11185	14.9
165.12709	8.7
167.06952	9.5
167.10753	4.6
169.08659	9.0
169.10143	12.5
171.11635	32.7
173.09634	5.7
173.13235	44.2
175.11171	8.2
175.14839	20.1
177.09108	5.6
177.12672	8.3
178.01620	5.0
179.10696	8.7
183.11705	16.5
185.13281	21.2
187.14871	22.1
189.12764	6.6
189.16420	7.6
191.10683	5.5
191.14456	5.4
193.12265	9.1
195.11838	8.5
197.13313	17.1
199.14861	18.8
201.12712	6.2
201.16394	16.5
203.14331	11.0
205.15849	8.4
207.13739	9.3
209.13159	5.4
211.14853	10.3
213.16388	13.3
215.14268	8.7
215.17889	8.7
219.13789	14.5
221.15352	12.4
231.13736	9.6
231.17474	7.0
233.15361	14.8
235.16920	13.1
244.46930	5.5
247.16898	14.8
249.18538	6.7
253.19450	5.8
280.30240	5.2
327.23010	16.4
329.24713	6.8
336.38730	4.8
345.24261	17.1
357.27744	5.8
393.27759	22.1
403.67850	5.6
411.29022	28.4
415.29651	5.4
421.30933	10.9
429.30249	11.8
433.31015	22.2
439.32022	14.0
441.33209	4.8
451.32077	32.7
469.33203	34.5
487.34097	42.3
505.27563	7.8
505.34906	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	505.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05515	3.0
55.19622	0.7
57.03435	2.0
61.02901	0.8
67.05514	5.8
69.03433	5.6
69.07069	5.3
69.28231	6.6
71.04993	1.5
73.02928	4.3
79.05507	1.4
81.03422	0.9
81.07056	5.8
83.04971	3.5
83.08618	3.2
85.02900	6.6
85.06569	1.2
91.05491	2.3
93.07054	3.2
95.04969	1.1
95.08612	10.9
97.02913	5.8
97.10184	1.3
99.08099	2.5
100.74789	0.8
105.07040	2.7
107.04945	1.5
107.08593	6.7
109.02879	1.2
109.06528	2.8
109.10164	31.6
111.08092	1.3
115.03950	2.5
119.04951	1.7
119.08581	11.7
121.10145	4.9
123.08070	5.0
123.11740	2.7
127.03949	2.5
133.05002	3.6
133.10120	9.9
135.11696	25.1
137.09612	7.2
137.13214	0.7
145.04973	2.5
147.04402	7.6
147.11699	0.9
148.04781	3.3
149.04999	1.1
149.13307	2.2
151.11208	2.9
151.14848	3.4
165.16432	0.8
175.14832	22.1
177.05472	1.6
178.05836	0.9
193.15889	26.4
199.06021	0.8
209.31468	0.8
211.16930	41.0
268.09604	0.7
331.09598	0.7
343.17178	1.0
443.18536	1.0
461.19965	13.2
487.21622	5.6
505.22632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.5
55.05516	1.0
57.03440	1.0
61.02939	0.7
63.83986	0.5
64.84655	0.4
65.50465	0.4
66.20033	0.5
67.05503	1.4
69.03422	1.9
69.07054	1.5
69.77203	0.4
70.05524	0.5
70.06590	0.6
70.70894	0.8
70.71218	0.8
73.02926	2.6
79.05508	0.5
79.29792	0.5
81.03406	1.0
81.07056	1.8
83.04992	0.6
83.08604	0.8
85.02905	2.7
91.05475	1.9
93.07036	1.1
95.04963	0.9
95.08643	3.4
97.02888	2.9
97.06517	0.6
97.10139	0.7
98.97584	0.9
99.08081	1.3
99.95111	0.5
105.07034	1.5
107.08598	2.3
109.02945	0.6
109.06483	0.8
109.10158	10.6
110.38193	0.5
111.08113	0.5
115.03929	1.3
119.04943	0.7
119.08596	4.8
121.10155	1.5
123.08056	1.7
123.11737	1.4
127.03918	0.7
133.04961	1.2
133.10110	3.4
135.11693	8.8
137.09628	1.8
145.02791	0.5
145.04980	1.0
147.04420	2.0
147.11464	0.5
148.99904	0.5
149.13278	1.5
151.11186	1.1
151.14851	1.5
165.16373	0.7
175.03920	0.7
175.14844	6.6
177.05527	1.9
179.06964	0.6
185.04201	1.1
185.44768	0.6
193.15884	8.5
207.06616	0.7
211.16939	15.2
223.06351	0.6
246.11258	0.5
280.10712	0.9
283.06473	0.5
299.14731	0.8
331.09927	0.9
343.17465	1.6
415.03384	0.6
436.49896	0.6
442.32721	0.5
443.18796	1.7
461.19922	14.0
487.21625	7.7
505.22598	100.0
506.22705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2646
Annotation	Leeaoside
Peak:m/z	Relative Intensity
53.03941	0.3
55.01866	0.4
55.05506	1.9
57.03428	1.2
57.07064	0.5
59.05005	0.3
61.02909	0.6
67.05505	3.0
69.03432	1.9
69.07069	2.4
69.35424	2.1
71.04989	1.3
73.02925	1.6
74.38332	0.2
78.67712	0.3
79.05476	1.3
81.03389	0.6
81.07061	4.1
83.04973	1.4
83.08628	2.4
85.02906	4.9
85.06536	1.1
91.05480	1.1
93.07042	3.1
95.04954	0.6
95.08609	8.2
97.02924	2.0
97.06552	1.8
97.10157	0.9
98.97646	0.3
99.04461	0.3
99.08109	1.6
105.07047	2.1
107.08592	5.0
107.52155	0.3
109.02854	0.7
109.06509	1.9
109.10161	15.8
111.08080	6.5
113.06023	0.5
113.09615	0.8
115.03919	0.7
115.07587	0.4
119.08586	9.5
121.06443	0.5
121.09331	0.5
121.10147	6.2
123.08071	7.8
123.11719	3.9
125.09612	1.0
127.03914	1.2
127.11152	0.5
133.04977	0.4
133.10139	8.6
135.11697	12.7
137.09621	17.6
137.13235	0.9
138.10406	1.0
139.11151	0.8
145.04973	1.0
147.04372	0.3
147.11667	1.6
149.05959	0.3
149.09636	0.7
149.13271	3.1
151.11168	1.4
151.14828	2.7
165.12752	2.7
165.16397	1.3
175.14838	16.6
177.05467	0.8
193.15889	15.3
206.30006	0.3
211.16937	100.0
212.17375	0.4
212.29890	0.3
223.83060	0.3
275.87027	0.3
287.61295	0.3
297.15088	0.3
344.12738	0.3
373.22238	3.1
487.21124	0.8
505.22784	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	505.2643
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
53.03936	0.7
55.05519	3.3
57.03425	1.1
57.07069	0.8
59.04995	1.4
62.71580	0.6
62.84646	0.5
67.05508	8.2
69.03434	3.0
69.07073	8.7
70.79401	1.5
71.04990	1.6
71.08651	0.8
73.02907	1.2
79.02806	0.5
79.05504	1.9
81.07062	9.5
83.04992	4.8
83.08616	3.8
85.02931	2.9
85.03360	0.6
85.06558	2.0
91.05498	1.9
93.07038	4.6
95.08613	20.5
96.97848	0.6
97.02892	1.4
97.10161	1.4
99.08110	2.6
105.07037	3.8
107.08601	12.4
109.06536	4.6
109.10165	67.9
111.08104	1.9
111.11732	0.7
113.09663	0.9
119.08591	26.2
121.10145	8.3
123.08079	7.0
123.11719	6.2
125.09630	0.8
131.81859	0.6
133.10146	14.7
135.11699	76.2
137.09631	9.6
139.11234	1.4
147.11729	0.8
149.13295	4.4
151.11208	6.1
151.14836	8.9
152.52968	0.6
153.12764	2.0
165.16435	2.2
175.14835	30.8
193.15892	57.2
211.16943	100.0
212.17393	0.6
270.22351	0.5
278.93744	0.6
373.22244	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.9
55.01858	1.4
55.05503	1.8
56.96558	4.9
61.02921	1.6
61.06504	1.1
61.28579	1.0
63.48228	1.0
69.03431	11.0
69.86801	6.8
69.89661	1.2
71.04992	17.7
71.06918	1.2
72.08167	1.3
73.02901	1.2
73.86700	1.2
79.05467	2.8
81.03413	8.5
81.07054	2.8
83.04971	2.1
85.02905	18.6
86.09698	1.8
89.03960	1.5
89.06033	100.0
91.05478	8.8
93.07046	2.3
95.04952	3.5
97.02892	32.2
98.97589	12.4
99.04446	7.5
104.19411	1.2
105.06965	1.3
107.04942	7.2
107.08617	1.4
109.02897	11.3
111.04445	1.3
115.03919	1.7
116.98602	3.2
119.04957	5.7
121.06525	1.4
121.10149	1.5
125.05983	1.2
127.03933	14.1
135.04420	14.3
135.06535	18.6
139.35983	1.3
145.02869	4.1
145.04956	12.7
145.10120	2.4
147.04416	4.5
147.80049	1.2
153.05452	2.5
158.99632	4.5
163.03914	19.9
163.11177	13.8
165.05467	1.6
173.02400	1.5
177.00732	1.4
189.05460	2.1
191.03380	23.8
197.08061	2.5
209.04454	23.9
225.07899	2.7
227.05493	3.3
229.07520	2.4
239.09575	1.3
243.08954	3.3
261.09695	4.5
265.11188	3.0
267.08847	2.5
279.11136	1.5
283.12201	1.8
301.13232	1.8
325.13089	8.9
327.77249	1.4
343.14175	2.6
370.52911	1.2
410.05151	1.4
415.10037	1.4
433.11536	2.4
445.17310	4.2
451.12259	1.6
505.22882	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	503.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.7
55.05515	19.9
56.96568	3.6
57.03411	3.5
59.25928	3.0
65.03940	4.7
66.14056	2.8
67.05508	53.9
68.69416	2.8
69.03442	7.5
69.07059	12.3
69.42814	24.3
71.04983	12.6
73.02930	3.4
79.05499	32.9
81.03403	10.6
81.06603	3.4
81.07064	64.3
83.04989	27.7
83.08622	8.3
85.06556	8.4
87.04490	3.9
91.05474	34.9
93.06489	4.1
93.07050	58.1
95.04958	9.9
95.08614	100.0
97.06527	11.1
97.10165	4.1
98.21570	5.5
98.98454	4.0
99.04453	5.4
101.02348	5.2
101.06004	6.1
105.07024	71.0
107.08605	60.4
109.06527	8.2
109.10165	40.0
111.08086	9.1
117.06994	16.4
119.08580	66.1
121.06495	7.3
121.10129	41.7
123.08073	8.6
123.11722	6.1
125.09612	5.9
129.06981	9.5
131.08559	42.2
133.10129	45.4
135.08044	8.5
135.11708	21.7
137.09647	5.4
138.06708	4.2
142.07791	5.0
143.07019	5.9
143.08580	18.1
144.09358	3.6
145.10127	62.6
147.08038	7.1
147.11705	53.7
149.09615	6.4
149.13252	16.3
155.08562	5.6
157.08853	5.3
157.10100	29.0
159.08037	7.4
159.11697	85.9
161.09583	8.4
161.13237	27.9
163.11226	13.7
165.12766	4.0
167.07124	3.6
167.10664	5.5
169.08759	4.6
169.10120	11.1
171.11739	20.6
172.85167	3.0
173.09631	4.9
173.13269	32.1
175.11240	8.1
175.14851	14.5
177.12733	13.7
179.10696	4.8
179.14235	6.5
181.10097	4.5
181.12181	4.2
183.11641	6.0
185.13272	20.2
187.11182	7.5
187.14854	16.1
189.12755	8.7
191.10742	3.5
191.14363	6.8
193.12244	8.4
195.11731	4.5
197.13271	7.7
199.11151	3.9
199.14774	7.3
201.12740	7.7
201.16389	7.7
203.14238	8.8
205.12218	4.0
205.15916	3.8
207.13829	3.9
209.13216	3.6
211.14825	5.6
213.16389	7.3
215.14354	10.9
217.12378	3.4
219.13809	10.8
221.15451	7.5
223.14819	3.4
225.16446	3.9
227.14232	4.3
229.16040	4.3
231.13884	3.8
233.15396	15.1
235.16939	4.9
237.16284	4.0
245.15320	6.7
247.16951	9.1
249.16397	3.6
257.18906	4.0
261.18613	3.0
275.20050	12.2
309.22089	3.9
311.23618	3.0
327.23065	9.4
329.24945	5.7
331.26160	3.2
345.23990	3.7
359.25317	3.3
371.25891	3.8
375.26730	7.4
381.27933	3.6
383.29532	3.9
393.27847	34.6
399.29074	3.9
411.28970	57.6
429.30045	11.9
449.30304	8.9
457.33508	4.8
467.31714	15.6
468.31973	4.9
485.32733	30.8
503.33725	80.5
529.39642	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	503.2487
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.05505	1.4
67.05503	1.5
69.03426	3.0
69.07077	1.2
70.26549	2.0
73.02904	1.1
73.31583	0.4
79.05496	2.3
81.03421	0.6
81.07057	4.6
83.04957	0.6
83.08612	0.7
85.02889	2.0
91.05466	2.3
93.07044	2.0
95.08616	1.2
97.02894	1.0
105.07031	3.2
107.04944	1.1
107.08595	13.8
109.06521	5.0
109.10162	4.8
109.79931	0.5
117.07027	1.7
119.08585	1.8
121.06503	1.0
121.10143	8.6
122.07307	2.8
123.08084	1.1
123.11745	0.6
131.08566	1.2
133.10130	100.0
135.08052	10.2
135.11725	1.0
137.09618	52.9
145.10103	0.8
147.11688	1.4
149.09723	1.1
149.13260	11.8
151.11263	1.0
158.10979	0.7
163.14867	2.4
165.12759	0.9
173.13283	5.8
191.14310	56.4
209.15364	34.6
213.39671	0.5
283.24994	0.5
503.18887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56768	0.7
55.05510	1.4
57.03435	0.8
58.19471	0.9
60.76281	0.8
67.05491	1.7
69.03426	6.4
69.07062	3.6
70.88335	1.4
71.04981	1.7
73.02906	1.6
81.07059	5.2
83.04992	4.7
83.08608	1.7
85.02917	3.6
91.05474	1.5
93.07056	1.7
95.04951	2.0
95.08612	11.4
97.02913	0.9
97.06509	2.6
99.04294	0.6
99.08112	2.2
105.07040	4.3
105.22930	0.7
107.08594	16.4
109.06551	4.3
109.10152	8.1
119.08581	1.2
121.06517	1.8
121.10141	17.4
122.07259	0.9
123.08043	1.8
123.11689	1.1
125.09627	6.7
131.08566	3.5
133.10136	23.2
135.08072	6.2
135.11700	2.3
137.09616	13.2
139.11163	2.7
145.04915	1.2
145.10156	1.1
147.07951	0.8
147.11711	4.4
149.09641	6.2
149.12192	1.4
149.13264	11.7
151.11186	40.6
153.09067	1.2
163.14809	6.4
165.12761	7.5
173.13280	8.2
191.14311	50.1
209.15375	100.0
236.03453	0.7
371.20682	2.2
485.19968	1.7
503.20761	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	503.2487
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.05505	1.2
57.03432	4.2
61.02919	1.6
61.47063	0.9
65.03954	0.9
65.30397	0.8
67.05501	3.1
69.03088	1.3
69.03434	16.6
70.79174	2.3
71.04996	3.9
73.02942	5.2
79.05494	1.4
81.03416	1.6
81.07049	1.8
83.04995	1.8
85.02914	13.5
85.06558	1.5
87.04480	8.0
91.05469	1.3
93.07039	2.8
95.04973	100.0
95.08631	1.3
97.02888	11.1
97.09647	0.9
99.04455	16.8
107.08598	2.3
109.06503	3.2
109.10158	16.1
115.03943	10.4
121.06493	1.0
121.10141	2.0
123.08067	1.4
127.03896	1.6
130.22476	0.9
131.08563	1.0
133.04996	7.9
133.10115	4.3
135.08049	5.4
137.09615	1.1
145.04950	2.5
147.04337	1.5
149.09648	5.3
151.07448	0.8
151.11134	2.5
153.09108	30.3
173.13249	3.5
177.09102	1.5
191.14323	6.9
193.15860	1.8
194.35895	0.9
209.15381	69.7
233.15399	2.1
251.16516	1.2
259.33478	0.8
266.95135	0.8
281.20746	1.0
284.10602	0.9
335.18460	1.3
341.19623	2.5
352.17865	1.0
370.52658	1.1
371.20627	8.0
497.90182	1.1
503.20459	1.9
516.09271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
62.56720	0.4
67.05505	1.4
69.03429	3.6
69.07057	1.7
69.27409	1.3
69.27819	2.8
70.79295	0.5
73.02926	0.9
79.05508	3.2
81.03401	0.7
81.07056	5.0
83.08622	0.9
85.02925	2.9
91.05454	3.3
93.07017	2.3
95.04985	0.5
95.08601	1.4
97.02920	0.7
105.07030	4.0
107.04948	1.5
107.08602	14.0
109.02859	0.5
109.06521	4.6
109.10166	4.0
117.07047	1.4
119.08566	2.2
120.53893	0.4
121.06514	0.6
121.10146	11.0
122.07294	2.4
123.08061	1.8
123.11662	0.6
124.61102	0.5
127.03931	0.7
131.08577	1.4
133.10135	100.0
135.08055	9.7
135.11693	0.5
137.09621	52.2
145.04999	0.6
145.10150	0.5
147.11670	1.3
149.09633	1.9
149.13261	13.9
149.14401	1.0
151.11185	1.7
157.10121	0.5
158.10986	0.7
163.14828	1.9
165.12753	2.0
173.13260	6.8
191.14313	57.2
209.15382	39.1
371.20743	1.0
374.25735	0.5
451.14896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
57.03413	0.4
57.26619	0.4
59.04996	1.4
64.05753	0.4
67.05502	0.7
69.03429	1.1
69.07067	0.7
70.06594	0.4
70.47662	1.2
71.04987	0.4
73.02915	0.5
79.01618	0.4
79.05498	0.9
81.03162	0.6
81.07063	2.1
83.01101	2.3
83.04973	0.4
84.01894	0.5
85.02916	1.5
86.09708	0.9
86.62572	0.4
87.04446	0.5
91.05508	1.1
93.07065	1.2
95.01086	0.7
95.08632	1.0
96.01875	5.0
97.02637	2.7
97.06535	0.4
98.97604	0.6
105.07043	1.1
107.08621	1.1
109.06533	0.5
109.10157	1.1
109.99812	0.4
111.00562	0.8
113.02151	0.4
115.03967	0.4
115.05415	0.5
119.04925	0.6
119.08585	1.0
121.10156	1.1
125.02133	1.8
127.03821	1.3
128.04488	0.7
128.06192	0.4
131.04942	0.7
133.10143	1.1
135.08069	0.6
136.06206	1.6
137.05991	1.4
137.09586	0.5
139.03674	1.6
145.10103	0.7
147.04416	0.6
147.08121	0.4
147.11705	0.4
151.11215	0.5
155.03172	0.7
156.03900	0.8
157.04735	12.0
159.11765	0.8
161.13309	0.6
163.03915	1.9
163.07536	1.7
169.04781	1.0
171.02658	1.2
171.06294	0.7
173.13318	0.4
177.05496	0.9
183.02676	0.9
184.03427	9.1
184.04999	0.6
185.04221	39.9
191.14403	0.5
191.16510	0.7
192.16840	0.7
201.03699	13.9
201.16487	0.5
203.05223	0.5
209.15358	0.6
223.17076	0.4
226.04617	0.4
227.05252	0.5
241.06824	1.1
241.14233	0.7
245.06427	1.6
258.07037	1.3
259.07855	2.3
265.08585	0.6
269.13724	1.0
275.07404	8.8
287.07410	0.6
301.08972	4.1
305.24719	1.0
309.11142	0.8
311.12662	2.7
315.10522	0.6
317.08466	0.8
318.09335	1.9
331.09982	31.2
341.13968	0.5
345.11591	6.4
350.07999	0.8
359.13120	4.0
373.14764	4.2
385.18317	0.7
385.26706	0.5
387.12009	0.7
387.16388	1.8
401.17795	9.7
402.18607	0.7
415.19250	1.9
417.17337	1.2
431.19101	0.5
434.17581	0.9
441.21094	1.9
443.18881	3.0
450.27249	0.4
457.20541	1.4
469.20071	0.7
485.19940	4.1
486.20639	1.1
503.21021	100.0
504.21225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1894
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
51.46041	0.8
56.96558	0.9
64.26615	0.7
67.05501	1.1
69.03406	3.4
69.07040	1.8
69.92461	3.2
70.06573	0.8
73.02873	1.1
79.05497	1.7
81.03370	1.1
81.07010	1.7
85.02891	3.3
91.05473	1.9
93.07035	3.0
95.08610	1.9
97.02888	2.9
98.21452	1.0
98.97588	8.2
99.04485	0.9
105.06983	2.6
107.08572	4.0
110.97549	1.3
115.03981	0.9
116.98595	2.4
117.91482	0.8
119.04989	0.8
119.08532	1.6
121.06541	0.7
121.10138	1.7
123.04342	0.6
123.08071	1.2
124.99109	1.2
127.03912	1.3
128.98615	0.9
131.00064	0.8
131.08519	1.7
131.16656	0.8
133.10144	10.7
135.08017	1.0
135.11656	0.9
137.06017	1.1
137.09569	1.3
143.00113	1.6
145.05023	0.8
145.10101	1.4
147.04375	1.4
147.11653	1.5
149.09595	3.4
149.13332	1.0
151.11104	1.0
158.99644	1.0
160.02228	0.9
161.01184	1.2
163.11198	1.3
170.99677	1.6
173.13252	4.7
177.05421	2.1
182.99696	2.0
191.14316	8.2
195.06732	0.9
201.00627	2.5
209.15402	4.1
219.01768	1.5
231.01947	0.9
238.25130	0.8
249.02884	4.2
267.03821	1.2
291.03876	8.0
295.11093	2.3
309.09116	1.7
349.05237	1.2
371.16699	1.3
459.17932	2.4
503.19244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1889
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
53.03929	0.5
55.05486	0.6
57.03421	1.3
57.04939	0.5
59.04983	0.8
67.05471	0.9
69.03436	4.1
69.07035	1.2
71.04973	0.8
71.55820	1.0
73.02892	1.4
79.05475	1.2
81.03405	2.3
81.07042	2.2
83.04967	1.6
84.04455	0.6
85.02907	5.9
86.09690	3.6
91.05451	1.8
93.07039	1.1
95.04955	1.3
95.08580	1.8
97.02887	2.7
98.97587	0.5
105.07011	2.2
105.58032	0.5
107.08598	2.6
109.02859	1.0
109.06495	1.6
109.10167	1.0
112.99141	0.8
114.79440	0.6
115.03899	1.8
119.04927	0.6
119.08556	1.8
121.06496	1.0
121.10147	3.4
123.08069	1.3
123.11578	0.5
127.03873	1.2
131.08540	1.6
133.06459	4.3
133.10118	5.8
134.06789	1.6
135.07126	0.6
135.08075	1.0
135.11746	0.6
136.06122	0.6
137.05965	0.7
137.09616	2.8
145.04927	1.7
147.04431	3.5
147.11667	0.8
149.09618	8.1
149.13324	1.1
151.11214	3.5
160.88864	0.5
163.03880	1.7
163.11110	1.0
164.11537	1.0
165.11441	0.8
165.12767	11.3
173.13254	3.0
175.14842	0.8
177.05473	0.6
189.12715	1.7
191.14339	12.1
192.14610	1.9
193.14867	0.7
201.12366	1.0
207.13725	2.7
208.14169	1.6
209.15384	31.1
252.09380	1.1
267.08972	1.1
285.10071	2.3
318.47247	0.6
335.09409	0.7
341.15601	0.6
359.00943	0.9
371.20731	2.6
377.01810	1.0
395.02600	0.8
402.87561	0.7
485.19489	1.2
503.18942	100.0
504.19662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49014	1.1
56.96298	2.1
56.96563	26.4
70.98111	11.4
71.07372	1.4
71.55395	1.5
73.49889	1.2
74.97636	1.1
84.96030	31.2
85.02898	1.9
90.91866	1.2
91.05485	2.8
92.86573	1.1
95.97563	1.2
98.97581	100.0
102.97050	1.1
110.97564	27.3
110.98327	1.5
112.99140	2.7
116.98607	23.5
119.04929	3.3
124.99148	1.4
126.97028	5.5
128.98596	16.1
134.99652	5.1
135.04430	3.0
140.09204	1.3
140.98608	4.4
143.00153	8.5
144.98112	3.5
145.02808	2.6
146.99628	2.6
147.04419	3.7
158.99651	50.4
160.99112	7.7
161.01233	5.0
161.02954	2.3
161.06003	2.6
163.00728	1.3
163.03906	13.2
167.00198	3.4
169.01733	1.4
170.99664	3.9
175.03915	3.3
177.00731	26.5
177.02179	2.6
179.00166	27.7
181.01700	1.7
182.99564	1.9
187.00673	2.9
189.00789	1.6
189.05443	9.1
191.00107	1.8
193.01695	1.8
195.03302	2.5
197.01219	24.6
201.00653	7.5
203.00145	10.8
203.04027	2.4
205.01724	11.7
207.01645	1.4
207.03383	1.3
207.06474	4.2
209.01256	3.5
213.00830	1.5
215.00294	2.2
215.02264	3.5
217.01726	1.9
218.99750	2.8
219.01749	58.9
221.01181	16.6
221.02983	1.5
223.02797	11.9
225.00877	1.4
227.02318	5.4
230.99741	8.3
233.01149	6.0
235.02776	11.6
237.00673	4.4
237.02808	30.8
239.02335	4.8
241.03847	2.1
247.01157	6.0
249.00697	13.0
251.02208	7.1
253.03838	7.9
255.01703	2.7
257.03293	1.8
261.52905	1.5
263.02258	22.9
265.02411	6.4
267.01917	5.0
269.03345	3.5
271.01379	1.7
273.00662	4.4
273.03088	2.3
274.63242	1.3
275.06290	2.1
281.03311	29.6
281.08307	1.2
285.02927	2.5
289.02234	11.1
291.01752	3.0
299.04434	7.4
303.03830	20.5
305.03268	15.9
305.06430	1.7
321.04944	1.9
323.04367	20.9
323.07996	1.9
331.03244	1.4
341.05548	3.9
347.04431	4.0
365.05399	22.4
365.09564	2.4
367.06760	1.6
375.03854	2.5
383.06409	2.7
393.04800	2.1
425.07623	4.4
443.08594	32.8
443.14432	2.1
461.09662	41.7
485.09799	1.9
503.10733	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	501.3435
Annotation	Adouetine X
Peak:m/z	Relative Intensity
52.88417	0.1
55.76199	0.1
58.06602	3.7
60.07936	0.2
60.08169	2.1
67.05466	0.3
69.07071	2.6
70.06599	1.5
70.99841	0.4
72.08143	0.6
83.04960	0.3
84.08143	1.7
85.02869	0.2
85.08925	4.6
86.09703	2.3
91.05497	0.2
99.10478	0.2
105.07036	0.2
107.08558	0.2
114.12807	100.0
115.13087	0.2
131.08670	0.2
134.06018	0.8
141.10300	0.2
145.10088	0.3
145.63698	0.1
159.11667	0.2
173.09628	0.2
177.05353	0.2
181.06642	0.2
187.11232	0.2
190.12294	0.3
200.10591	0.2
202.12177	0.3
253.19148	0.6
259.09741	0.2
271.02182	0.2
297.59131	0.2
302.51538	0.2
307.15341	0.2
366.27597	0.8
388.25879	0.2
456.28760	0.2
473.34921	0.7
501.34344	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	502.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.1
57.03436	14.3
57.07077	27.8
59.04992	3.3
60.53836	1.3
65.03931	2.1
67.05508	74.5
69.07059	6.3
70.90659	3.5
71.05006	2.7
71.08634	18.9
81.07053	19.8
83.08624	14.3
85.06542	3.4
85.10181	11.4
89.06011	2.5
91.05491	4.7
93.07014	3.0
94.30361	1.3
95.08613	20.0
97.10195	2.9
107.08573	1.7
109.10161	74.8
111.08105	2.9
119.08562	5.7
123.11706	2.8
137.09608	3.2
155.10664	5.8
173.11737	17.5
214.76524	1.6
229.14354	100.0
239.23772	2.4
277.58093	1.5
313.27368	99.2
455.08643	1.4
467.37341	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96303	2.8
56.96566	38.2
69.23397	14.7
70.98125	12.3
74.06117	2.3
74.97634	2.0
84.96033	38.9
97.73556	1.6
98.97588	57.8
102.97063	3.0
110.97576	45.2
112.08813	1.7
112.99146	4.9
116.98635	18.3
124.99126	2.2
126.97062	4.5
128.98602	34.0
131.00188	2.7
131.04907	3.9
134.99593	2.0
138.74641	1.5
140.98611	4.7
143.00114	7.3
144.98120	5.8
146.99644	8.2
147.04379	8.6
149.01189	1.8
151.00659	2.3
155.00024	1.4
158.99690	16.5
159.00975	2.9
160.99115	5.3
161.01170	7.7
163.00739	3.7
167.00194	4.7
170.99641	8.4
173.47856	1.5
177.00706	10.9
177.02229	6.1
177.05545	1.7
179.00157	21.7
181.01744	2.4
187.00694	6.8
189.00696	4.7
189.05460	5.4
191.00171	9.7
193.01738	6.1
194.99725	2.0
195.03311	6.1
197.01233	25.4
201.00697	9.6
203.00252	9.4
205.01720	28.4
209.01218	5.2
211.02888	5.0
215.02251	2.6
218.99698	5.7
219.01740	54.4
221.01239	22.4
223.02797	28.0
227.02266	6.8
227.10786	1.6
230.99664	7.9
233.01250	5.6
235.02792	9.5
237.00713	7.7
237.02812	59.9
239.02229	14.6
241.03766	7.6
247.01295	6.5
249.00768	18.7
251.02261	18.2
253.03816	10.7
253.08588	1.6
255.01660	3.1
263.02316	22.6
265.02271	7.3
267.01721	19.1
269.03271	11.8
273.00516	2.8
273.03098	3.0
281.03348	45.6
285.02875	6.5
287.04462	2.2
289.02396	3.0
299.04361	13.1
303.04080	9.7
305.03241	1.9
323.04318	13.7
327.03769	1.7
331.05219	1.9
335.04355	2.3
337.06125	3.4
341.05478	8.4
347.04407	3.4
349.05981	3.1
363.03787	4.4
365.05444	3.9
375.03836	9.5
381.04910	2.6
393.04834	9.6
395.06528	3.6
407.06485	4.7
411.05881	5.9
425.07504	5.5
443.08633	36.5
456.09183	1.6
461.09689	100.0
484.11484	3.2
503.10663	63.5
503.16818	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3211
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
51.75433	3.2
53.03949	4.1
55.05503	5.3
64.64445	3.5
67.05492	12.3
67.43644	3.3
69.07062	11.0
71.56392	5.9
79.05495	12.9
81.07051	21.1
83.04982	10.9
83.08598	6.2
91.05489	15.5
93.07042	24.7
95.04956	5.7
95.08615	26.7
105.07040	27.4
107.08600	25.3
109.06525	4.8
109.10162	12.3
117.07011	7.1
119.08586	65.5
119.09371	5.5
121.06554	7.5
121.10148	24.0
123.08096	6.7
123.11714	6.2
129.07002	6.4
131.08553	21.2
133.10120	25.8
135.08089	10.4
135.11703	10.0
137.05981	6.4
141.06972	3.8
143.08589	7.1
145.10114	35.4
147.08118	4.2
147.11702	19.1
149.09624	3.5
149.13261	10.8
155.08479	4.1
156.09354	10.1
157.10127	12.6
159.11664	29.7
161.09581	5.0
161.13254	13.9
163.07561	5.2
163.14854	19.8
163.50342	3.6
169.10138	8.6
170.10780	3.7
171.11687	19.1
173.09644	5.0
173.13303	25.2
175.14894	25.9
177.16434	21.6
185.13264	16.2
187.14806	33.0
189.12740	10.0
189.16399	15.2
197.13280	5.1
199.14806	10.6
201.12761	7.8
201.16333	38.8
203.14378	5.3
203.17961	4.5
207.13744	5.2
211.14761	4.2
213.16405	5.6
215.14320	9.4
215.17921	6.6
217.15810	4.5
221.15355	8.1
227.14308	4.8
233.15321	7.0
235.16939	5.1
241.16017	4.7
246.64378	3.1
247.16997	7.4
257.15323	3.6
263.16202	3.4
265.14359	16.1
279.15933	13.0
289.17850	4.3
307.19073	7.5
407.29388	5.8
419.29456	15.2
437.30533	27.4
453.29343	6.2
455.31619	100.0
465.29898	12.3
483.30640	11.8
501.32620	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	501.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
54.94199	0.2
55.01855	0.6
55.05267	0.2
55.05503	3.1
55.91348	0.2
57.03423	1.0
57.07073	1.4
59.04999	2.8
61.02902	0.5
65.03938	0.4
67.05499	2.3
68.99780	0.4
69.03429	7.4
69.06721	0.3
69.07063	3.6
69.26046	1.1
69.26452	0.5
71.04990	1.0
73.02898	0.5
77.03947	0.2
79.05141	0.2
79.05488	2.2
81.03421	2.6
81.07055	6.2
83.04491	0.3
83.04979	2.9
83.08614	1.3
85.02903	9.4
85.06537	1.9
87.00831	4.7
91.05472	2.7
93.06474	0.4
93.07040	4.7
95.04966	1.1
95.08605	8.4
96.78627	0.2
97.02888	1.8
97.06522	1.9
97.10166	1.9
99.04450	1.3
99.08049	0.5
105.01864	4.2
105.07027	8.5
107.04939	0.2
107.08591	11.6
108.09361	0.3
109.02877	2.5
109.06517	7.7
109.10152	8.2
111.08081	4.6
111.11716	0.2
115.05412	0.4
117.06988	0.9
119.08579	13.4
121.06499	1.1
121.10139	8.6
123.07202	0.3
123.08066	6.1
123.11694	2.4
125.09620	3.5
126.61549	0.2
127.03912	6.2
127.07563	0.2
128.06221	0.6
129.01860	0.3
129.06996	1.1
131.08566	2.8
133.06535	1.2
133.10126	20.8
135.08051	2.5
135.11696	1.7
135.28111	0.2
137.06010	0.2
137.09625	3.3
139.11188	1.6
141.06883	0.2
142.07808	1.3
143.08540	2.6
143.14107	0.2
144.09344	0.5
145.02817	0.2
145.05013	1.1
145.06526	0.3
145.10114	3.2
146.07249	0.5
146.10847	0.4
147.08040	4.6
147.11684	8.8
148.08765	0.6
149.09621	3.5
149.13234	0.8
150.04271	0.2
151.11180	5.7
156.09323	0.8
157.10123	7.3
158.10866	0.4
159.02878	0.4
159.08051	0.3
159.11690	6.2
160.08824	0.7
161.09612	18.2
161.13239	2.8
162.10400	1.4
163.03955	0.2
163.11206	1.7
165.16385	0.7
169.10178	0.3
170.10895	0.6
171.11696	2.5
173.09541	0.5
173.13255	3.3
174.10336	0.7
174.14038	0.4
175.11189	11.0
175.14807	7.2
176.11839	0.3
177.12746	5.6
179.10687	1.1
184.12442	1.2
187.06004	1.8
187.11131	0.3
187.14729	0.3
188.11955	0.7
189.03844	0.2
189.12746	2.8
189.16374	13.6
191.14301	0.5
193.15807	0.5
199.14819	6.7
202.13506	0.6
207.17407	3.6
213.03928	1.2
217.15865	94.1
218.16142	1.0
231.05022	1.3
232.01129	0.2
235.16913	100.0
235.48183	0.2
236.17159	1.0
246.17044	0.2
249.06114	0.3
253.17975	41.8
254.18402	0.3
261.09174	0.3
304.86209	0.2
369.18918	0.3
421.21906	0.4
439.23190	0.4
465.21237	2.6
483.22192	2.3
501.23218	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	501.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05507	1.0
57.03440	0.8
59.05003	6.5
65.79703	0.7
67.05497	4.0
69.03432	6.6
69.67220	0.7
71.03584	1.8
71.04984	1.4
73.02901	1.0
79.05493	1.7
81.03417	1.4
81.07053	1.7
82.39203	0.7
83.04990	3.7
83.08603	0.9
85.02890	2.8
85.06524	0.9
91.05475	3.4
93.07033	3.0
95.04952	1.6
95.08606	12.3
97.02876	2.8
97.06494	1.8
98.97614	0.9
99.50432	0.8
101.06022	1.0
105.07030	12.0
107.07977	1.0
107.08599	11.2
109.02851	0.8
109.06531	9.6
113.06031	1.7
115.03941	1.0
117.07012	0.8
119.04922	1.7
119.08579	11.1
121.06485	3.3
121.10133	4.3
123.08073	32.2
123.08965	1.7
123.11701	1.5
127.03866	1.0
128.06198	0.9
129.06956	0.8
129.29124	0.7
131.08549	3.0
133.06488	2.9
133.10101	4.3
135.08067	3.3
135.11682	1.4
137.09630	2.5
141.07059	0.8
143.08545	3.4
143.10869	0.7
145.04964	1.0
145.10130	2.9
147.08003	4.7
147.11684	8.2
149.09622	39.8
151.07553	1.4
151.11205	0.8
156.09317	4.1
159.08086	2.1
159.11682	1.2
160.08795	1.0
161.09564	1.6
161.13242	9.4
163.11162	1.8
165.12744	2.7
171.11688	8.5
174.10414	6.1
177.05511	1.5
189.12743	44.6
191.14343	1.4
207.13805	100.0
286.17422	1.0
369.19220	5.2
458.28995	0.8
501.19205	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	501.1735
Annotation	Sideroxylonal C
Peak:m/z	Relative Intensity
53.03938	0.8
64.90678	0.7
67.05503	1.1
68.01854	0.6
69.03418	1.1
69.07058	0.8
70.13367	1.4
70.13763	1.4
79.01534	0.7
79.05475	1.0
81.03413	0.9
81.07037	2.0
83.04987	0.7
83.08593	0.8
85.02902	1.4
89.03867	0.7
90.60139	0.7
91.05466	2.1
93.07022	1.6
95.04919	1.0
95.08602	1.3
97.02890	1.3
97.06520	1.9
97.10154	0.7
98.97560	0.8
103.05447	0.8
105.07007	1.7
107.08543	1.2
109.10133	1.4
112.99123	1.1
117.03379	1.0
118.30531	0.6
119.04931	1.6
119.08564	2.1
120.08118	3.5
121.10165	1.3
123.08036	1.1
123.11706	0.8
131.08539	1.0
133.10101	1.6
135.04388	1.2
139.20091	0.7
145.02817	1.8
145.10118	1.2
147.04433	4.9
147.11627	0.9
148.04692	0.6
157.10135	1.5
159.11633	1.4
161.09541	1.3
163.03891	3.4
177.05443	3.3
217.15855	1.9
226.40865	0.7
235.17027	3.1
253.17845	3.3
266.91266	0.7
283.08496	1.2
293.04938	0.7
303.23117	0.7
309.84015	0.6
347.07288	1.3
415.22992	2.6
432.69144	0.7
457.24240	6.8
483.09119	5.3
483.21899	3.0
501.17081	100.0
501.23260	21.7
502.17789	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.6
55.01877	1.0
55.05522	1.5
57.03453	1.1
57.07067	0.6
69.03434	13.0
69.07086	1.7
70.26331	2.0
70.26680	0.7
73.02928	3.6
76.04105	0.6
77.03949	0.6
79.05495	6.8
81.03437	0.7
81.07069	2.3
83.04986	5.8
84.16254	0.5
85.02910	8.4
91.05488	2.9
93.07040	1.6
95.04986	0.7
95.08636	1.7
97.02899	2.8
103.05469	2.3
105.07037	5.7
105.28082	0.6
107.04961	0.8
107.08595	6.6
109.02847	0.7
109.06525	2.0
109.10094	0.6
117.07056	0.8
119.08593	5.0
121.06509	12.3
121.10143	5.6
122.99579	0.6
123.08061	4.3
127.03927	2.2
131.08527	3.8
133.06500	100.0
133.10095	5.0
135.08058	7.3
135.11714	1.3
143.08588	1.0
145.05003	2.4
145.10149	2.6
147.07985	3.3
147.11703	3.3
149.09633	3.4
149.13211	0.9
151.07559	1.6
158.10930	2.2
159.08044	1.0
160.08838	1.3
161.09644	2.5
161.13254	0.8
163.05858	0.6
163.11194	25.6
171.11716	0.8
173.13301	6.7
174.10381	0.8
176.11949	0.8
189.12756	38.0
191.14316	98.1
207.13814	88.1
238.36325	0.6
350.62878	0.7
351.18137	3.4
369.19009	5.4
501.19003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05497	0.8
57.03431	0.6
60.08154	0.9
65.03930	0.7
66.94350	0.4
67.05488	1.3
69.03412	0.5
69.07053	0.6
70.06601	0.7
71.04974	0.5
71.07353	0.7
71.53779	0.5
73.02904	0.6
78.21252	0.4
79.05481	1.9
81.03419	0.6
81.07035	1.1
83.04979	2.1
85.02869	0.8
86.09712	5.2
89.03939	3.2
91.05477	1.6
93.03428	0.5
93.07054	2.2
95.04945	1.2
95.08596	0.5
97.06542	4.3
98.98445	0.4
105.07023	1.0
107.04948	1.7
107.08608	0.5
109.02876	0.6
111.04447	1.8
115.05439	1.0
117.03389	5.4
119.08562	0.7
121.06464	2.2
123.04461	2.6
125.00006	2.5
125.89017	0.4
127.95997	0.5
129.05510	0.6
129.07030	0.8
135.04424	12.0
137.02245	0.5
139.03900	1.8
141.06969	0.9
143.04994	0.5
143.08522	0.5
145.02850	9.8
145.06586	0.5
147.04410	0.7
152.06194	0.5
153.12758	0.8
157.06462	0.9
157.10132	0.8
159.04420	0.6
161.06029	2.7
163.03911	100.0
164.04295	0.5
165.01909	0.7
167.03447	3.0
167.08629	2.3
169.06490	0.8
171.08051	1.4
173.05978	5.2
174.06749	0.4
175.03862	1.0
175.07594	0.9
177.05507	1.2
181.05002	0.5
184.07344	16.9
185.05960	1.3
185.09610	1.5
187.07571	1.3
189.05473	2.9
189.09137	3.2
195.08089	5.3
197.06006	0.5
197.09573	0.7
202.06154	0.7
203.10710	1.7
205.04948	0.7
213.09142	4.5
215.07111	3.1
215.10640	2.3
217.08617	1.9
223.07613	2.1
226.06252	0.8
231.10199	5.4
241.08594	15.9
243.10262	0.7
259.09677	28.0
267.15918	1.3
273.11243	0.7
276.08649	1.5
277.10718	1.2
285.17004	1.4
307.05258	0.5
355.10284	1.4
367.91623	0.5
391.92728	0.4
433.14951	1.4
447.24435	0.4
450.22433	1.9
451.16022	1.2
454.15048	0.6
500.15085	1.0
500.21704	0.9
501.19220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97389	2.0
51.02366	2.7
51.68444	1.8
53.00081	1.7
53.03939	6.7
53.53236	1.8
55.01872	5.8
55.05280	1.9
55.05518	27.7
57.03442	22.2
57.07076	5.2
61.02929	42.4
62.68145	2.0
65.03940	4.7
67.05505	75.3
68.09456	2.0
69.03433	26.5
69.07064	33.7
71.01348	3.2
71.04991	6.4
71.08618	2.8
71.54752	3.0
73.02919	21.4
73.06545	2.1
78.04651	1.9
79.05493	35.5
81.03419	19.2
81.07056	100.0
83.04991	4.9
83.08627	19.6
85.02904	48.4
85.06564	3.1
87.04489	2.7
90.97497	2.0
91.03957	22.0
91.05482	35.8
93.07047	54.2
95.04966	7.9
95.08610	73.3
97.02897	38.4
97.06523	5.1
97.10180	5.8
99.04450	12.7
99.08108	5.4
101.02378	12.3
103.03941	5.5
105.07031	48.0
107.04916	3.7
107.08595	36.8
109.02869	12.1
109.06508	7.8
109.10148	28.8
110.84884	2.2
111.04472	2.0
111.08060	5.0
113.09631	2.9
115.03921	5.0
115.05466	2.1
116.56190	1.9
117.07025	9.1
119.08593	49.7
121.06530	6.7
121.10147	32.9
121.53413	2.0
123.08083	7.7
123.11701	16.3
124.11205	3.5
125.05994	5.2
127.03898	16.5
129.05501	4.3
129.07036	5.4
131.08591	22.8
133.06441	4.0
133.10129	41.3
135.08018	5.0
135.11716	19.1
137.05966	8.9
137.09596	4.1
137.13269	7.2
139.11171	1.9
141.06947	2.2
142.07770	3.0
143.08553	17.2
145.04955	7.2
145.10112	29.4
147.08060	5.5
147.11685	25.2
149.09612	6.4
149.13213	10.5
151.14830	4.1
152.10716	19.7
153.09094	2.7
153.11031	5.2
155.07101	3.4
155.08554	7.6
157.10150	15.8
158.10831	2.1
159.06601	2.4
159.08009	2.5
159.11708	24.9
161.09654	6.1
161.13260	19.4
163.11266	3.4
163.14857	7.8
167.07008	3.0
169.10135	6.8
171.11711	12.5
173.09660	4.5
173.13255	23.3
175.11224	4.8
175.14786	12.7
177.12848	3.9
181.10033	2.7
183.06592	5.5
183.11710	8.3
185.11765	2.7
185.13203	11.2
187.11218	4.5
187.14851	12.4
189.12733	6.1
189.16389	5.9
191.14247	2.8
193.12122	3.0
195.11646	3.4
195.13811	2.4
197.13309	9.0
199.11151	2.6
199.14795	7.7
201.07616	3.6
201.12744	6.4
201.16411	8.3
203.14436	3.5
205.15900	3.1
207.13811	4.0
209.13405	2.9
211.14827	6.5
213.12772	6.4
213.16412	4.9
215.14290	5.6
215.17883	3.4
217.15799	3.0
220.06833	1.9
221.15388	6.0
223.14790	3.5
227.17984	2.4
229.15869	6.2
231.13814	4.6
233.15421	8.1
235.16933	3.7
237.16402	2.2
239.14212	2.8
245.15388	5.1
245.22597	11.7
247.16934	6.6
261.22253	2.3
263.23703	24.0
305.24927	2.3
327.23227	3.0
329.24710	3.0
337.27402	77.3
353.24750	4.7
365.26718	2.6
371.25717	6.6
382.69238	2.6
389.26694	2.5
403.29895	6.7
413.28366	2.5
421.30756	9.2
421.53006	2.2
431.29602	8.2
439.32132	4.4
445.27817	9.6
449.30551	10.9
463.29071	8.6
467.31342	5.9
481.32861	12.0
499.32959	38.5
506.59393	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	499.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.9
55.01852	4.4
55.05515	23.3
57.03440	22.8
57.07063	5.4
61.02930	57.1
65.03921	3.7
67.05508	75.3
69.03435	34.6
69.06742	2.2
69.07074	31.9
69.29739	6.1
69.30160	6.7
71.01340	6.5
71.04981	4.8
71.08633	1.8
73.02920	25.5
75.04494	1.9
79.05499	24.7
80.20016	1.5
81.03428	24.0
81.07059	78.4
83.04986	3.4
83.08628	18.6
85.02908	63.1
85.10136	1.4
86.09717	1.7
87.04461	2.8
87.10051	2.3
91.03411	2.8
91.03959	42.0
91.05482	18.2
93.07043	25.7
95.04961	3.7
95.08611	65.5
97.02897	53.0
97.06503	5.1
97.10194	11.2
98.21462	3.0
99.04469	13.0
99.08081	2.6
101.02393	13.4
101.67950	1.8
103.03940	8.4
104.10737	4.5
105.07034	13.0
105.11094	2.8
107.08597	18.1
109.02905	8.9
109.06497	3.3
109.10153	28.1
111.04440	2.2
111.08060	2.5
115.03931	5.2
117.05455	2.6
117.06972	3.2
119.08587	10.0
121.10133	14.0
123.08066	2.2
123.11702	12.5
125.09565	1.6
127.03911	27.2
127.11217	1.8
129.05470	5.4
131.08548	4.3
133.10143	14.1
135.11697	10.0
135.12572	1.7
137.06024	1.6
137.09648	1.9
137.13242	6.2
145.04958	7.6
145.10144	3.0
147.11710	8.4
149.13222	8.4
151.14787	4.3
159.06511	2.6
159.11644	2.7
161.13229	8.6
163.14807	7.1
165.12750	2.2
165.16429	3.0
175.14819	6.1
177.16376	2.2
179.14317	2.2
179.84558	1.7
183.06494	5.1
184.07291	3.1
185.07652	1.9
186.07849	2.5
193.41711	1.6
201.07581	5.0
207.17490	1.7
245.22673	12.7
261.22223	2.9
263.23694	26.0
272.90851	1.8
272.93954	1.5
291.23416	1.7
305.24710	2.1
327.77237	1.8
329.24866	1.5
337.27374	100.0
365.26941	4.6
371.25919	3.3
379.28534	1.7
389.26770	2.1
407.27887	2.6
445.29477	2.6
481.31506	6.3
499.32617	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	499.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01877	1.1
55.05501	1.8
57.03437	0.9
65.03925	0.7
67.05502	5.0
69.03413	1.9
69.07053	1.7
69.54990	3.2
70.06576	0.4
73.02901	0.5
77.03900	0.5
79.05486	4.6
81.03403	1.2
81.07050	4.7
83.04980	2.7
83.08624	0.8
85.02888	2.0
89.03917	7.8
91.05486	5.3
93.07047	5.5
94.07413	0.5
95.04980	3.4
95.08602	4.4
97.02883	1.7
97.06539	0.8
98.21417	0.9
99.04446	1.4
99.67674	0.5
103.03947	0.6
105.04527	0.5
105.07020	6.3
107.04935	2.8
107.08596	5.2
107.93552	0.5
109.02883	0.8
109.06500	0.7
109.10172	2.3
110.83226	0.5
111.04424	1.9
111.08089	0.8
115.05423	0.6
117.03387	9.2
117.07034	1.8
119.08585	5.8
120.08055	0.7
121.06506	0.8
121.10143	2.5
123.08068	0.6
127.03934	0.9
128.06224	1.3
129.05490	1.6
129.07013	2.2
131.08556	5.6
133.10143	2.7
135.04424	17.2
135.08066	0.8
135.11673	1.8
136.12057	0.7
139.03908	1.0
141.07036	1.3
142.07755	1.7
143.08575	3.2
145.01768	1.0
145.02853	13.0
145.03984	0.7
145.10106	5.8
145.12178	0.8
146.03128	0.5
147.04346	0.9
147.11707	2.5
149.13269	2.0
153.07098	1.0
155.08559	2.4
156.09323	2.2
157.10120	6.0
159.11674	4.2
161.07152	2.6
161.13251	1.6
163.03905	100.0
164.04256	0.9
164.11508	0.9
165.06972	1.3
166.07820	0.5
167.08594	1.7
168.09387	1.6
169.10141	2.9
170.10971	0.6
171.11682	4.0
173.09610	1.0
173.13272	4.2
175.11197	1.1
175.14827	1.1
177.05516	0.9
179.08484	0.6
180.09325	0.8
181.10059	2.6
182.10870	1.6
183.11723	7.6
185.09578	1.1
185.13266	3.0
187.07597	0.7
187.11140	1.1
187.14819	2.5
189.12709	1.0
191.14337	1.1
192.11017	0.5
193.10127	1.4
193.74632	0.5
194.10890	1.0
195.11711	3.5
197.13260	3.0
199.05954	0.7
199.11095	1.2
199.14810	3.2
201.12744	1.1
201.16489	0.7
205.10294	0.6
205.15916	0.7
206.10927	0.7
207.11690	1.5
208.12526	0.6
209.11653	1.1
209.13313	2.1
210.12036	1.1
211.11211	1.0
211.14809	1.4
213.12750	1.5
215.14415	0.8
217.07072	2.0
217.15950	0.8
220.12505	1.0
221.13269	1.8
222.13979	0.6
223.11200	0.9
223.14853	1.9
225.12733	0.9
225.16426	0.8
227.10715	0.8
227.12790	0.6
228.13083	0.7
232.12489	0.6
233.13293	1.0
234.14059	0.9
235.14804	1.7
237.16341	1.2
239.18056	0.6
241.12228	0.8
245.13280	0.7
249.16293	0.7
253.15849	0.6
255.13809	0.6
263.17941	0.6
281.15399	1.5
283.15457	2.5
284.15747	6.4
288.14499	0.5
299.16431	2.2
301.16458	1.0
302.16852	3.2
319.07974	7.0
337.09277	0.6
343.24359	0.8
361.02856	0.6
379.10358	1.0
389.24872	1.6
399.26749	1.3
407.25552	1.1
409.25003	0.6
415.26352	1.1
417.27863	1.0
427.26254	1.6
433.27142	1.1
445.27350	5.9
453.29889	0.9
463.28732	2.5
481.13672	1.0
481.29163	1.2
499.12283	2.2
499.21732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
56.48090	1.2
56.96566	1.3
57.03424	3.7
59.04982	1.8
61.02930	1.5
67.05499	4.3
67.43675	1.2
69.03433	12.9
69.07059	5.7
69.55476	9.0
70.06581	3.0
71.04996	11.9
72.08147	1.6
73.02902	3.5
79.05488	5.1
79.66156	1.5
79.68362	1.3
81.03419	3.0
81.06596	1.9
81.07063	35.4
83.04971	4.3
84.04497	1.5
84.96013	1.5
85.02917	15.2
85.06551	2.5
87.04455	5.9
89.29848	1.2
91.05476	4.3
93.07047	3.5
95.04956	3.5
95.08636	2.5
97.02904	13.1
97.06528	4.9
98.21582	2.3
98.97584	4.4
99.04465	2.5
99.08074	3.4
103.05479	1.3
105.07008	2.7
107.08599	7.7
107.58782	1.2
109.02884	2.6
109.06506	2.9
109.10157	7.8
111.08096	2.0
111.11706	3.4
115.03935	9.0
117.03373	3.1
119.04944	1.7
120.36618	1.2
121.10207	3.3
123.11709	11.5
127.03897	4.9
131.08606	2.5
133.04971	7.1
133.10100	2.9
134.10385	1.5
135.04399	4.8
136.07571	5.0
139.11174	8.5
145.02826	2.8
145.04988	3.2
147.04382	4.3
151.11205	16.8
153.05482	2.3
153.12680	1.9
154.08633	2.8
157.04890	1.4
157.07692	1.5
157.12242	11.7
163.03894	21.9
164.07124	2.0
169.12247	21.8
175.03937	2.4
177.00732	2.1
177.05418	1.4
185.08066	2.4
187.13303	100.0
203.03427	1.6
205.14389	10.7
254.86609	1.1
259.08249	1.6
289.78931	1.2
301.40137	1.2
309.07745	1.6
309.11163	1.5
319.15616	2.1
347.09216	2.5
349.18533	2.5
467.24475	1.3
499.14136	13.6
499.17957	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	499.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.2
65.03937	2.8
69.03423	2.8
69.83169	4.3
70.06589	2.4
79.05482	1.7
81.03408	1.7
81.07047	1.6
85.02919	5.5
87.04429	0.9
89.03937	1.2
91.05471	2.7
92.05015	2.6
96.08118	3.0
97.02892	2.8
98.97598	1.8
108.08172	1.0
109.02871	1.9
117.03400	1.0
119.04972	1.8
122.06034	2.1
124.07590	3.9
126.09171	8.2
127.03889	1.7
135.04446	2.0
136.07603	0.8
138.05501	0.7
138.09146	3.3
145.02777	1.3
145.04973	0.9
147.04420	3.3
148.03926	2.9
150.05501	1.2
152.07076	24.9
157.07622	0.8
158.99663	1.3
163.03908	10.6
165.05539	0.8
166.05011	43.1
173.09537	0.8
175.03893	1.2
176.03444	7.7
177.05484	1.3
181.08798	0.9
182.04514	9.4
184.09860	0.9
189.05467	2.9
194.04524	5.6
199.08626	2.0
200.10811	1.7
212.09492	2.7
213.10159	0.8
215.08038	0.8
225.10246	2.0
227.08035	1.3
227.11789	4.2
228.10216	2.0
229.13356	0.8
230.08328	0.8
233.09230	1.2
237.10419	0.9
240.08952	2.9
241.09724	1.8
243.11559	0.9
253.09749	3.8
254.08104	1.1
255.11298	5.2
257.09238	2.2
257.12949	1.0
259.07202	2.8
261.12457	1.3
270.09946	1.5
271.10785	8.5
272.09286	1.0
273.08737	1.0
273.12360	2.2
274.80643	0.9
283.10791	37.8
288.11060	1.4
289.11795	5.5
301.08490	1.6
301.11856	27.6
319.12897	100.0
331.52579	0.8
337.13773	1.3
481.18051	2.2
499.14005	3.8
499.19144	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	499.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56361	0.6
59.91533	0.6
61.02921	0.6
65.03928	2.4
67.05494	0.8
69.03428	1.9
69.51350	1.5
69.51749	4.0
70.06596	1.5
79.05469	1.2
81.03445	1.4
81.07051	2.9
82.95940	0.6
83.04981	0.8
84.04480	0.7
84.08157	1.0
85.02432	0.6
85.02900	4.0
85.06546	0.9
89.03907	1.3
91.05478	1.0
92.05000	3.1
95.08618	1.0
96.08154	4.2
97.02872	1.1
97.06467	0.7
98.97561	1.0
107.04961	1.2
109.06556	0.9
111.04420	1.0
117.03391	2.5
122.06004	1.3
124.07606	3.8
126.09156	9.5
127.03896	0.9
131.08592	0.7
135.04424	3.5
138.09102	3.0
145.02835	2.5
145.04907	0.8
148.03926	2.7
150.09140	0.9
152.07071	25.8
155.14339	1.1
160.09694	1.0
163.03918	19.7
166.05005	43.9
170.12708	0.9
176.03394	7.1
182.04495	8.8
184.09940	1.1
191.16397	1.0
194.04492	5.4
198.07782	0.7
199.08638	1.2
200.10835	0.9
207.13770	0.7
211.08723	1.1
212.09442	2.2
215.08171	1.7
225.10210	2.4
227.08235	1.7
227.11702	4.1
228.10237	2.1
229.13408	2.1
233.09267	1.7
240.08928	2.9
241.09894	0.9
243.11247	1.5
253.09615	4.3
254.08038	0.8
255.11314	4.6
257.09198	2.5
257.12946	1.2
259.07184	2.0
261.12329	1.0
270.09995	1.6
271.10834	8.8
273.08942	0.8
273.12418	1.8
283.10779	40.4
288.11044	1.1
289.11819	6.3
301.08450	1.6
301.11832	29.2
319.12888	100.0
336.44077	0.8
337.13760	1.4
353.29279	0.7
401.65497	0.8
481.18231	1.9
498.65790	0.8
499.17770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01865	0.5
55.29630	0.5
56.96535	0.7
57.03417	0.9
62.87518	0.5
67.05492	0.9
69.03412	1.8
69.52286	3.8
70.06573	2.1
71.04991	0.8
79.05470	1.2
81.03394	1.6
85.02877	2.2
86.09678	0.8
89.03938	2.6
91.05482	0.8
93.07005	0.9
95.04968	1.2
97.02851	1.6
97.06527	0.6
98.97559	1.8
105.07009	1.1
106.02919	0.5
107.04905	0.9
109.02843	0.6
111.04428	1.3
112.80787	0.5
116.07030	0.8
116.98545	0.6
117.03394	4.2
121.06482	0.8
124.03915	2.4
125.04306	0.6
127.03867	1.6
128.06221	0.5
128.11696	0.5
135.04420	5.3
139.03841	1.0
145.02840	4.1
147.04391	0.9
157.10103	0.6
163.03912	31.7
175.03697	1.2
177.05412	1.8
185.04144	0.9
185.11397	0.5
187.07600	0.5
191.14105	0.6
192.77357	0.5
199.05849	0.9
203.05205	1.2
217.06979	0.7
220.07068	0.9
237.02713	0.8
259.07791	1.8
269.08447	0.7
286.09109	0.6
295.11234	1.2
301.09039	0.7
305.08221	0.8
314.12469	0.5
319.08020	0.7
337.08948	1.5
347.09451	12.3
379.10272	0.9
498.72113	0.9
499.13943	100.0
500.14740	0.7
515.80566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00473	1.0
69.03429	3.0
71.52200	1.1
81.03411	1.1
82.99850	4.3
85.01421	1.7
85.02913	5.3
86.99321	1.4
91.05476	1.8
94.99832	1.8
95.04918	1.1
97.02895	3.0
101.00887	23.5
103.02454	3.8
105.07943	1.1
109.02843	1.3
113.00879	6.8
115.02442	1.9
115.79083	1.1
119.01928	24.4
119.04923	4.0
121.03396	1.2
127.02429	16.0
127.03883	1.4
131.01917	14.2
133.03506	1.4
139.02388	4.7
143.01907	29.2
145.03477	48.0
145.97578	1.3
147.01410	2.7
147.04416	4.8
153.03979	1.1
155.01903	36.6
157.02257	1.7
157.03482	22.3
161.02956	20.9
163.04518	3.3
167.01898	16.2
169.03441	5.2
170.99130	5.4
171.01428	9.5
171.05016	2.6
173.02971	45.9
175.04280	2.6
179.01886	6.6
181.03479	2.4
183.01389	1.9
184.55884	1.3
185.02969	52.8
187.04503	5.0
189.00081	2.6
189.02489	7.4
189.05559	3.2
193.56329	1.1
196.04654	1.6
197.02965	17.5
199.00841	5.4
199.04488	3.8
201.02477	2.0
203.04024	13.0
207.06552	3.3
208.06848	1.2
209.00731	1.4
209.02956	4.0
211.00850	1.6
213.00110	9.1
215.04001	9.4
217.01949	62.6
221.05048	6.0
223.06656	3.1
225.07506	3.2
227.01642	3.8
227.04013	12.6
229.01971	12.0
229.05527	1.6
235.03021	15.0
245.05083	100.0
247.02895	13.5
247.06793	2.0
253.01971	1.3
257.05063	12.9
259.02814	1.5
261.05969	2.3
263.06155	13.2
265.03998	2.0
265.07642	2.7
275.06104	13.0
277.04037	20.4
293.07153	3.0
301.03989	11.2
305.07147	9.6
307.08917	1.4
317.04819	40.9
319.01324	2.3
319.05103	29.4
335.08173	5.0
337.06192	42.0
365.09299	12.9
499.11359	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.7
56.96556	3.6
57.03438	7.6
60.07389	1.5
61.02911	2.5
67.05507	27.1
69.03414	2.5
69.07059	6.0
70.06576	1.7
70.80497	3.1
70.80834	2.6
71.04968	4.7
73.02920	1.6
79.05488	8.5
81.03426	2.7
81.06595	2.7
81.07057	46.8
83.04984	2.4
83.08608	5.0
85.02891	7.1
85.06535	7.2
89.81567	1.7
90.30340	1.7
91.05464	11.0
93.07043	15.0
95.08600	7.2
97.02877	2.5
97.06528	7.2
99.08074	2.7
105.07035	3.1
106.82687	1.5
107.08591	8.0
109.10134	4.9
111.08110	1.7
119.08558	3.5
121.10160	2.3
123.11697	6.9
127.03889	2.6
129.05496	2.7
131.08543	4.8
133.10136	10.1
135.04391	2.0
135.11687	4.4
149.13235	10.8
151.11209	3.6
157.43074	1.8
159.11667	13.2
161.13257	3.8
163.03903	4.4
166.16660	1.6
169.10077	2.0
177.12755	21.7
179.14319	10.3
187.13298	5.2
195.13770	5.1
233.15404	2.5
243.15927	46.3
250.74113	1.8
251.16402	7.2
259.09616	3.3
269.17480	100.0
301.20050	15.7
313.16333	3.0
327.45349	1.7
373.13898	2.6
445.24423	2.0
480.29242	2.1
482.75592	1.7
493.82999	1.9
498.20950	5.1
499.21356	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	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01869	2.6
55.05523	5.2
56.96547	1.2
57.03439	4.6
59.05008	1.2
61.02926	2.0
67.05506	11.7
69.03415	3.5
69.07067	3.5
70.06580	2.5
71.04971	2.7
71.25526	1.6
73.02903	1.9
76.80361	0.9
79.05496	9.2
81.03407	6.7
81.07056	10.7
83.04976	9.6
83.08617	4.0
85.02912	6.8
85.06538	2.0
86.09711	1.4
87.04468	3.5
91.03999	1.0
91.05476	6.8
93.07038	10.3
94.38356	1.1
95.04976	5.1
95.08608	6.1
97.02900	4.6
97.06549	5.2
98.97579	2.3
99.03368	0.9
99.04445	2.4
100.38468	0.9
105.07019	3.8
107.04975	4.9
107.08590	8.5
109.02914	1.8
109.06502	2.6
109.10130	3.8
111.04446	14.2
111.08047	4.6
115.03909	1.5
117.07023	4.1
119.08572	3.9
121.06544	2.3
121.10142	7.5
125.06042	1.6
127.03928	1.4
129.06995	2.3
129.72040	1.0
131.04935	1.2
131.08569	3.7
133.10138	2.6
134.64523	1.0
135.08047	2.0
135.11708	11.8
137.09583	2.1
145.10127	8.2
147.04420	1.3
147.08086	1.1
147.11693	1.5
149.09642	2.4
153.12764	4.8
155.08565	2.7
163.03903	1.7
163.11172	16.3
167.36115	1.0
168.05646	1.0
169.12187	1.4
173.05978	2.7
173.09584	5.0
174.05478	1.0
177.05417	1.5
181.12234	10.3
187.13281	1.4
188.07130	2.0
189.05469	4.5
191.10657	10.9
193.12161	1.1
194.12546	0.9
201.09142	1.8
205.21675	1.0
209.11746	18.2
215.07013	1.3
215.13963	1.2
223.10049	1.0
227.12802	10.2
229.06531	1.6
229.08543	7.3
237.02733	1.2
251.09425	1.3
257.05917	1.3
257.08157	9.3
259.09589	2.0
264.10236	3.8
265.14362	3.0
267.12582	1.3
267.15948	1.0
274.10760	2.4
277.10809	1.3
278.11801	2.0
280.13248	1.1
283.15396	100.0
286.17218	1.5
287.05530	2.8
289.08530	4.0
292.11896	1.3
294.07611	2.6
295.08411	9.2
300.15237	1.2
301.16434	24.9
306.11185	8.5
323.11472	2.3
324.12332	12.4
349.10754	6.5
402.13181	1.9
416.56970	1.2
445.20779	2.2
452.16986	9.3
480.17001	1.3
498.17496	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	498.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27958	2.1
53.03948	4.8
55.01865	7.8
55.05519	11.2
57.03441	13.5
57.07061	3.0
59.04992	7.7
61.02921	4.8
62.84068	2.4
65.03936	4.6
67.05507	26.9
69.03435	61.1
69.07062	9.3
69.15530	11.8
69.15953	14.1
70.06579	9.1
71.04989	15.3
73.02926	3.7
74.64538	2.7
76.81438	2.6
79.05507	13.1
81.03419	12.4
81.07059	100.0
83.04993	31.3
85.02910	41.6
86.09703	3.5
86.79624	2.6
87.04470	30.5
91.05490	25.4
93.07049	91.2
95.04975	50.6
95.08604	16.5
97.02898	45.7
97.06524	8.9
98.97593	12.7
99.04446	5.7
105.07033	40.9
107.08598	57.5
109.02898	7.2
109.06521	14.5
109.10162	24.3
109.67226	2.7
111.04393	2.7
115.03934	45.1
119.04932	3.6
121.06476	4.1
121.10143	14.1
123.04405	3.1
123.08075	11.8
123.11706	54.1
124.03958	9.4
124.73366	2.7
125.06024	5.7
127.03931	13.9
129.05440	2.6
131.08617	5.4
133.04984	40.5
133.10130	75.9
134.90196	2.5
135.08051	5.8
135.11671	6.8
137.05925	3.0
138.09050	2.3
139.03848	2.9
142.04965	2.7
145.04956	10.4
145.10104	4.0
147.04398	4.4
149.06088	4.7
149.09550	2.6
151.11195	64.8
157.10033	3.0
158.99660	7.2
161.04454	6.3
163.03886	5.5
167.07072	3.1
169.08612	4.8
169.12230	8.1
175.11259	5.0
177.00775	4.0
177.05469	4.1
178.55074	2.8
188.03668	2.6
189.05478	7.2
193.04968	2.3
193.12306	3.1
197.08078	2.6
202.34158	2.4
207.06587	2.6
219.01805	4.6
221.66383	2.6
224.40038	2.7
229.12364	2.5
246.17198	2.4
247.13286	4.0
259.08170	2.9
262.49655	2.8
265.11465	2.5
265.14352	7.6
268.08176	6.8
283.15533	5.7
286.09290	3.9
295.10907	3.9
295.15628	2.8
313.16470	3.6
372.27713	2.8
399.69247	2.7
445.17630	4.3
453.35004	2.5
480.18594	2.8
498.18143	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	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01881	5.2
55.05510	6.6
57.03448	6.7
61.02920	3.5
67.05503	10.3
67.67816	1.0
69.03440	4.4
69.07073	3.2
70.80309	1.7
71.05000	1.7
73.02914	3.4
79.05492	10.0
81.03423	7.7
81.07063	11.0
82.04198	3.4
83.04977	5.0
83.08604	5.5
84.02120	1.1
85.02902	5.3
87.04466	0.9
91.03970	1.0
91.05487	8.5
93.07043	7.7
95.04957	6.5
95.08607	4.6
97.02898	4.2
97.06537	4.4
97.10168	9.2
98.07310	1.9
105.07037	3.7
107.04958	3.2
107.08613	5.9
109.06550	1.6
109.10188	1.5
111.04458	1.0
111.08073	1.9
115.03986	2.1
116.04733	8.0
117.07031	1.7
119.08577	4.4
121.06503	1.3
121.10143	2.7
123.08066	3.6
123.11713	4.2
125.09634	8.2
127.03967	1.5
129.05496	15.0
131.08580	2.8
133.05011	1.6
133.10095	4.5
135.04402	1.1
135.08080	1.9
135.11685	3.2
137.09645	1.2
143.07037	3.6
145.10126	1.9
147.11702	2.0
149.09570	1.3
151.11186	1.8
153.09073	1.3
153.12738	1.5
157.08618	7.2
157.09955	1.8
163.03848	4.9
163.11188	3.4
169.12225	9.5
171.08780	0.9
171.10120	4.5
173.09676	1.2
175.11252	1.3
177.05560	1.3
187.13272	2.4
189.11229	6.4
191.10658	0.9
193.12242	2.0
199.13268	2.0
200.14163	1.6
209.11765	4.0
211.13393	1.0
227.12782	29.6
265.14505	1.0
267.15924	1.8
283.15421	16.9
284.16080	1.5
285.16953	2.0
287.17502	1.4
301.16467	100.0
353.44321	0.9
463.21722	2.6
498.20349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01863	3.9
55.05515	10.4
55.25774	0.9
57.03444	6.3
61.02935	4.4
65.35784	0.9
67.05504	14.6
69.03413	2.6
69.07062	3.5
70.01091	1.6
70.01508	3.1
70.06596	12.1
71.04977	1.8
72.08150	2.6
73.02904	2.5
79.05488	11.3
81.03423	12.9
81.07066	11.2
82.04194	3.6
83.04988	5.9
83.08601	5.1
84.02116	1.8
84.04487	3.2
85.02905	6.3
86.09703	9.7
91.03933	1.4
91.05476	9.0
93.07042	10.1
95.04967	12.8
95.08610	4.7
95.72559	0.9
96.05734	1.0
97.02901	6.0
97.06529	3.3
97.10167	9.9
98.07310	3.5
98.97530	1.3
102.05545	1.6
105.07017	5.7
107.04949	3.8
107.08605	7.0
109.06533	2.3
109.10146	2.6
111.04417	1.5
111.08057	2.8
116.04707	5.9
117.07021	2.7
119.08590	5.6
121.06510	1.4
121.10174	2.0
123.08059	4.8
125.09638	9.6
129.05473	14.3
129.06975	1.7
131.08551	3.0
132.10240	2.4
133.10146	2.9
135.08023	1.7
135.11710	4.5
137.09633	2.0
143.07045	4.1
145.10106	2.6
147.08034	1.1
147.11696	3.9
149.09599	2.5
155.08130	1.1
157.08589	8.2
157.10017	2.2
159.11617	1.1
161.70544	1.0
163.03885	3.5
163.11153	3.9
171.10167	3.3
175.11119	2.0
175.84094	1.0
181.12181	2.0
189.11171	5.5
191.10683	1.4
193.10521	1.3
193.12189	6.6
197.12939	1.5
199.13206	1.9
200.14066	1.8
209.11766	1.6
210.12529	2.0
211.13313	3.2
227.12790	31.1
227.14970	2.2
239.15016	3.9
243.13441	1.1
256.17661	1.9
267.15912	20.8
283.15448	12.3
284.12521	2.3
284.16174	3.0
285.16895	3.5
301.16470	100.0
318.24243	2.8
415.21640	2.3
498.13861	4.3
498.30606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53715	3.8
52.91703	3.4
55.05509	11.7
57.07075	4.0
58.13575	3.5
65.34892	3.5
67.05516	19.6
69.07057	14.8
71.04467	3.4
71.30716	4.2
75.35446	3.1
79.05491	13.7
81.07061	44.3
83.08615	11.7
89.36458	3.4
91.05476	18.0
93.07053	32.0
95.08617	54.8
97.10155	6.5
103.71575	3.1
104.10744	4.3
105.07030	34.0
107.08594	61.4
109.10151	33.9
117.07014	6.2
119.08580	61.4
121.10144	58.4
123.11689	14.6
131.08545	14.4
133.10124	42.8
135.11673	31.1
137.13240	3.8
143.08545	7.1
145.10144	30.8
147.11719	27.7
149.13260	16.0
157.10110	10.6
159.11703	25.7
161.13275	21.4
163.07568	4.7
163.14833	13.3
167.65520	3.1
170.68295	3.2
171.11673	7.0
172.12416	4.2
173.13271	18.3
175.14844	17.2
177.16376	13.2
179.10719	4.7
185.13239	10.8
187.14815	14.6
189.16389	30.8
191.17955	100.0
199.14835	11.2
201.16383	92.0
201.18219	4.0
203.17947	43.2
212.15530	8.2
213.16333	19.1
215.17996	17.1
217.19537	9.9
219.13742	4.7
221.15337	6.0
229.19487	10.9
233.15346	6.4
241.19600	4.2
243.21175	6.8
247.16849	25.3
249.18430	4.9
255.21051	37.1
391.33481	8.7
437.34183	69.1
497.36011	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.142
Annotation	CHEBI:67640
Peak:m/z	Relative Intensity
54.02873	0.8
55.05504	1.2
56.96569	5.1
65.60883	0.6
66.28980	0.6
67.05476	0.7
67.37753	0.8
69.03419	1.9
69.07066	0.9
70.06608	1.1
70.94716	0.6
71.04967	0.8
71.11124	1.6
79.05492	1.5
81.03389	1.6
81.07053	1.5
84.96023	2.5
85.02895	2.8
86.09682	1.0
91.05473	1.0
93.07022	1.7
95.04967	1.0
95.08584	1.6
97.02885	2.0
97.06508	1.1
98.97581	11.5
105.07010	1.4
107.08616	1.9
109.02863	1.1
110.97566	3.6
112.99113	1.3
116.98603	3.3
119.08556	1.1
121.06546	0.8
123.11705	0.8
124.99089	2.0
125.05988	0.7
125.77406	0.8
127.03872	0.8
128.98605	2.8
131.00177	1.6
133.10118	1.1
135.04402	0.9
135.11714	1.1
143.00175	4.4
145.10071	0.7
147.04370	1.6
147.66628	0.8
152.98582	0.7
158.99646	5.3
161.01244	2.6
163.03885	1.9
165.09166	0.7
170.99620	1.2
171.25737	0.7
177.00723	3.0
177.05505	1.3
177.09010	0.9
185.01254	2.3
186.15764	0.9
189.00717	2.0
189.05420	0.8
201.00745	2.8
203.02304	1.2
204.06622	1.4
207.48207	0.9
219.01781	7.1
237.00780	0.9
237.02795	4.4
255.01759	1.0
283.15240	1.0
317.21103	2.0
319.10123	1.0
333.04828	1.7
351.05905	3.5
383.09888	2.0
453.21225	1.0
487.07697	0.9
497.14032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.0
55.01869	12.2
55.05515	31.5
56.96563	14.1
57.03440	30.3
57.07068	5.9
59.04994	4.6
61.02933	60.1
67.05180	8.5
67.05509	94.7
69.03429	42.8
69.07065	27.0
70.07414	5.3
71.01373	7.0
71.04993	11.4
71.55395	7.7
73.02930	39.5
79.05497	70.4
81.03423	36.1
81.07062	100.0
83.04973	14.6
83.08624	11.5
85.02907	63.5
85.06506	6.0
85.07423	4.4
87.04466	6.0
91.03970	30.9
91.05481	56.7
93.07048	67.4
95.04971	17.0
95.08607	61.9
97.02905	45.8
97.06542	12.1
97.10159	7.1
99.04466	10.5
101.02368	12.3
103.03944	5.8
105.07043	49.4
107.05002	8.4
107.08585	47.7
108.59005	5.2
109.02882	9.3
109.06516	7.4
109.10165	40.0
111.04457	8.6
113.09649	6.9
115.03938	7.7
117.07034	24.8
119.08583	42.8
121.06511	8.9
121.10133	31.8
123.11727	11.9
125.09618	6.4
127.03925	18.3
129.05508	8.2
129.07005	18.7
131.08586	33.4
133.06462	6.4
133.10118	37.1
135.08046	6.1
135.11688	23.7
137.09607	7.1
143.08585	14.9
145.04947	6.9
145.10109	28.8
147.11662	16.4
149.09636	6.8
149.13272	14.1
151.14777	5.4
157.10135	20.3
159.06682	5.3
159.08052	7.6
159.11691	16.4
161.09688	7.0
161.13263	14.6
162.68625	4.4
163.11182	9.5
163.14839	7.4
169.10179	7.0
171.08182	5.7
171.11697	12.7
173.13278	14.4
181.10133	5.5
183.11607	8.5
185.13210	7.4
187.14793	5.6
191.14320	6.7
199.14854	6.1
201.16374	6.8
229.07484	8.4
243.08926	7.0
243.21040	13.5
247.08469	8.3
255.08961	4.7
259.08670	6.0
259.20520	6.4
261.22198	25.7
262.51099	5.3
267.09061	7.6
285.10010	6.2
303.23154	12.8
317.24597	6.0
319.22568	6.1
335.25775	41.4
345.24002	5.0
365.26633	10.0
369.24182	14.5
371.79013	4.6
377.26807	12.2
387.25302	14.7
389.26810	7.9
405.26218	7.1
431.28006	10.9
443.27820	40.7
461.29007	29.1
479.29990	28.9
488.36392	6.0
497.31393	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.34
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05500	0.3
56.05030	1.1
57.03436	0.5
57.07078	3.2
58.06571	1.5
59.07377	0.3
60.08165	16.7
63.79988	0.2
67.05499	0.8
69.07059	0.5
70.15162	0.4
71.07378	6.0
71.08627	2.2
81.07055	1.1
82.73324	0.2
83.08624	0.6
85.10187	0.9
86.09706	49.5
95.08610	1.5
97.10155	0.3
97.20670	0.2
98.98463	3.2
104.10744	100.0
105.06976	0.2
105.11057	0.2
109.10149	0.8
121.61819	0.2
123.11691	0.3
125.00005	28.6
130.43391	0.2
138.29950	0.2
157.55551	0.2
163.01535	0.6
181.02652	0.3
184.07339	93.3
185.07645	0.3
217.40770	0.2
258.10931	1.2
294.53381	0.2
313.27350	1.8
419.26111	0.2
478.32950	9.0
496.33945	40.3
497.33417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23860	0.2
52.99704	0.2
56.05028	0.6
57.03419	0.3
57.07074	0.6
58.06592	0.3
60.08161	5.4
67.05479	0.4
67.18253	0.2
69.07043	0.5
71.07373	2.5
71.08609	0.5
81.07052	0.3
83.08587	0.2
86.09703	26.2
91.05473	0.3
95.08598	0.4
98.98457	2.3
104.10744	2.5
110.90197	0.2
122.88403	0.2
125.00000	19.4
184.07335	100.0
187.08730	0.2
343.91846	0.2
395.67456	0.2
478.33170	1.1
496.33881	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	496.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.2
57.84789	0.6
58.30363	0.6
69.03433	11.0
69.92130	3.1
70.06583	2.5
73.02901	0.7
75.04471	1.2
81.03406	2.0
81.07037	1.0
85.02905	8.2
87.04475	6.6
91.03949	0.7
93.07026	1.5
95.01327	0.8
95.04984	0.7
97.02895	9.4
98.20843	0.8
99.04453	1.0
109.06542	0.8
110.03658	3.3
111.04446	0.8
115.03925	10.9
121.10107	1.3
125.06001	17.1
127.03919	2.0
133.04959	10.1
139.03873	3.2
145.04971	1.6
150.07730	0.8
150.58449	0.6
152.04666	0.9
153.05470	39.9
154.06253	13.0
155.03386	1.6
155.07016	0.9
161.05894	0.7
166.06245	1.8
167.07063	5.4
167.10686	1.6
170.05739	8.0
178.06303	4.8
179.03400	0.8
181.08629	1.5
182.05734	5.1
184.07291	0.8
185.08098	100.0
189.05400	0.8
191.07051	1.1
192.07733	1.2
194.05759	8.2
195.06519	1.8
197.08058	6.2
204.07823	0.7
205.05009	0.8
209.08087	20.3
219.10182	0.7
221.08078	2.1
223.09605	0.6
224.30412	0.7
227.09154	14.5
235.09662	1.3
236.06744	1.1
251.09172	4.4
263.09134	3.9
268.08286	0.7
281.10211	14.0
293.10172	1.3
299.11182	3.0
311.11224	1.8
317.12268	1.1
496.17072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01866	3.8
55.05513	21.5
56.98945	1.1
57.03437	14.7
64.90338	1.0
65.03941	2.8
67.05504	31.3
69.03416	4.8
69.07075	8.6
70.78933	2.5
70.79273	1.1
71.04998	7.0
79.05496	34.2
81.03417	86.9
81.07056	41.6
81.07536	2.4
83.04986	15.1
83.08152	2.1
83.08621	30.1
85.02907	42.1
85.06543	1.6
91.05482	51.1
93.07043	25.3
95.04968	32.5
95.08612	13.1
96.40974	1.2
97.02901	4.1
97.06548	6.0
97.10169	4.8
97.27044	1.3
98.21440	1.4
99.08102	2.0
105.07032	34.3
107.05000	7.1
107.08587	10.3
109.06538	6.8
109.07159	1.3
109.10180	3.6
111.04439	4.3
111.08096	13.5
113.05996	4.0
114.57571	1.1
115.05483	1.8
117.07019	2.8
119.08585	27.1
121.06527	1.4
121.10146	12.3
123.08083	4.0
123.11700	2.2
125.09603	3.3
128.06250	1.8
129.07008	12.4
131.08577	16.2
133.06500	3.4
133.10141	12.7
135.08122	1.3
137.09634	3.4
139.06218	1.1
142.07773	4.5
145.10135	2.4
147.08070	4.1
147.11697	22.6
149.09633	7.6
157.10138	17.6
163.11069	1.4
165.12732	5.9
175.11174	19.1
189.11250	1.3
193.12242	81.4
193.67915	1.2
211.13295	90.3
267.15906	15.4
270.94452	1.1
285.17014	6.1
314.99240	1.2
330.97061	1.3
333.52667	1.2
385.23874	1.7
459.27328	6.7
461.87231	1.2
477.28378	9.6
495.29602	100.0
496.30084	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01870	3.9
55.05267	2.1
55.05512	22.1
57.03438	12.8
57.07067	1.5
58.35306	1.3
63.02772	1.0
65.03960	2.0
67.05507	32.5
69.03456	6.2
69.07073	8.2
71.04997	7.6
79.05495	37.1
81.03419	77.9
81.07057	38.6
83.04979	16.7
83.08621	27.8
85.02907	36.0
85.06559	5.3
91.05483	43.7
93.07043	26.9
95.04973	29.8
95.08614	16.0
97.02917	4.1
97.06548	6.7
97.10176	7.3
98.20728	2.8
99.08092	2.4
100.11282	1.5
105.07031	31.1
107.04948	11.9
107.08598	13.1
109.06514	16.3
109.10152	5.6
111.04451	3.4
111.08078	10.3
113.06036	3.3
115.05465	2.0
115.40672	1.1
117.07029	4.4
119.04922	1.5
119.08591	24.8
119.09378	2.1
121.06500	5.7
121.10144	15.3
123.08080	5.6
123.11739	3.2
125.09657	5.4
129.07024	13.1
131.08578	18.0
133.06512	4.0
133.10115	14.0
135.08075	5.0
135.11787	1.5
137.09671	2.1
139.11195	1.3
141.06953	1.5
142.07797	4.6
143.08556	1.4
145.10136	5.2
147.08063	3.3
147.11690	21.3
149.09633	7.5
151.11229	1.7
153.09123	1.7
157.10114	16.0
159.11693	1.4
163.03914	1.1
163.11267	1.6
165.12801	4.5
168.13867	1.6
171.10223	1.1
171.11760	1.7
173.09581	1.2
173.13359	1.6
175.11205	17.0
181.12271	1.5
189.05475	16.3
189.11234	2.2
191.14386	3.3
193.12247	59.9
193.58801	1.2
211.13287	81.6
219.13727	6.9
229.14122	1.6
259.09662	1.3
259.15482	5.7
267.15915	15.2
282.46075	1.2
285.17007	5.0
293.17648	4.2
308.26941	1.2
339.23425	1.4
349.21631	2.3
367.22894	3.7
385.23621	2.4
403.24796	3.7
421.72470	1.2
431.28101	1.3
451.26651	1.5
459.27393	10.3
461.90182	1.2
477.28571	16.6
495.29520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01866	4.8
55.05512	14.9
57.03437	11.1
61.97496	1.3
65.03942	2.2
67.05504	26.1
69.03418	4.2
69.07069	6.9
69.25104	12.8
71.05001	7.1
71.32740	1.2
79.05492	30.5
81.03417	76.5
81.07055	32.7
83.04972	15.1
83.08151	2.0
83.08617	22.5
85.02906	37.4
85.06513	2.7
87.04470	1.3
89.07453	1.2
91.05482	38.8
93.07043	21.8
95.04962	27.9
95.08599	12.6
97.02888	4.1
97.06509	3.7
97.10166	5.5
98.20721	2.4
105.07030	29.1
107.04955	9.5
107.08611	8.5
109.06508	6.4
109.10157	4.6
111.04448	3.6
111.08080	11.1
113.06010	4.5
115.05432	1.8
117.06978	2.9
119.08582	20.6
121.06501	3.6
121.10130	10.0
123.08054	4.0
125.09644	2.1
129.06990	13.8
129.17673	1.3
131.08572	13.4
133.06496	3.3
133.10115	10.2
137.09595	2.0
142.07773	3.3
144.51855	1.2
145.10106	2.5
147.08052	3.1
147.11678	15.1
149.09608	5.6
157.10106	13.0
165.12776	3.7
175.11179	16.9
193.12242	60.3
211.13284	73.4
267.15839	11.5
285.16934	4.4
356.58871	1.1
359.22043	1.3
385.23657	3.1
459.27597	8.4
462.03415	1.8
477.28656	9.0
495.29526	100.0
496.29980	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.4
60.04527	4.5
65.03959	0.3
67.05509	0.6
67.23109	0.3
69.03434	0.7
70.06597	0.7
71.05013	0.4
71.55811	0.4
79.05495	0.7
81.03419	0.8
81.07018	0.5
82.25470	0.3
83.04973	0.4
84.08143	0.3
85.02891	1.3
86.09707	19.0
87.05591	4.2
88.03989	1.5
88.26089	0.3
91.05475	1.1
93.07043	1.9
95.04973	0.5
95.08614	0.4
97.02894	0.8
98.97594	0.9
102.05540	2.6
103.05460	3.8
105.03384	0.9
109.02856	0.3
109.10093	0.3
117.03397	0.5
119.04944	0.4
120.08105	100.0
121.06496	0.5
123.04328	0.4
123.11693	0.5
125.08761	0.3
128.07077	0.3
128.10718	2.6
130.04964	0.6
131.08543	0.4
133.10190	0.4
135.04446	0.3
135.08018	0.4
136.07666	0.3
137.05920	0.5
137.09593	0.4
142.08408	0.3
145.02901	0.6
147.04379	0.4
148.06042	5.8
151.03883	0.7
154.05116	0.3
163.03920	1.7
173.12859	23.8
177.05492	1.2
189.05470	0.5
201.12340	13.0
217.09792	0.7
219.01662	0.4
233.16452	0.6
261.15982	0.5
277.11420	0.3
287.04910	0.3
295.12888	31.4
303.16968	2.4
304.05484	0.4
305.05505	0.4
321.07394	0.5
330.19138	0.3
348.19223	3.2
349.07401	0.3
367.08130	0.8
405.31290	0.3
409.15399	0.3
435.15405	0.9
495.12823	1.5
495.18616	0.9
495.24637	0.7
495.35208	0.4
523.16772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.3
55.01860	3.8
55.05495	3.6
56.96563	1.2
57.03435	8.1
57.07078	9.6
59.05008	8.0
61.02929	8.3
67.05510	8.1
69.03085	1.7
69.03432	25.3
69.06734	1.0
69.07059	7.0
70.06586	5.0
70.50139	2.3
70.50511	2.0
71.01357	1.3
71.05000	6.0
72.08157	1.3
73.02924	6.0
79.05487	1.9
81.03423	12.4
81.07050	5.1
83.01308	1.5
83.04968	1.5
83.08619	3.8
85.02908	100.0
85.06542	5.3
86.09717	5.3
87.04474	3.2
91.03957	3.4
91.05475	8.2
93.06530	1.2
93.07049	5.8
95.04961	4.3
95.08611	55.3
97.02309	1.8
97.02900	33.5
97.06532	3.1
98.97604	1.6
99.04449	6.2
99.08103	8.3
103.03967	1.3
105.07034	1.5
107.08607	7.3
109.02878	8.0
109.06530	10.4
109.10144	9.7
111.08068	6.5
113.09651	63.1
115.03938	3.1
119.04962	1.2
119.08567	1.9
120.08105	3.2
121.06473	1.5
125.02367	1.3
127.03926	20.0
127.07536	1.3
127.11192	16.5
133.04970	6.0
133.10133	1.3
135.04337	1.1
135.11687	7.8
136.07576	2.3
137.09596	1.4
137.13246	4.7
142.24757	1.0
145.02832	3.0
145.04962	29.1
150.05507	5.8
153.12752	51.3
155.14288	14.8
163.03932	2.7
163.06023	4.6
163.07312	1.2
168.06575	3.2
170.99727	1.4
171.13809	48.0
177.05455	6.9
177.12766	2.5
179.05559	6.4
191.14386	1.2
195.13805	3.0
204.06578	1.5
213.14835	13.8
229.15570	1.8
239.34218	1.2
240.06416	1.2
249.14963	1.5
267.15967	2.6
279.15973	3.0
286.07224	1.2
297.16876	3.0
300.08569	1.7
302.08298	4.0
320.23038	2.2
333.09293	1.2
333.19116	3.4
336.10699	3.3
345.14343	1.3
366.23767	1.2
393.11853	1.4
414.37265	1.3
495.14792	4.4
495.28525	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	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08694	0.2
55.05505	0.8
56.05030	0.5
57.03448	0.3
58.06605	0.4
60.08164	5.5
67.05499	1.1
69.07070	1.1
71.07379	2.6
71.41687	0.4
79.05491	0.9
81.03410	0.5
81.07047	0.9
83.08616	0.7
86.09705	27.4
91.05486	0.4
92.05850	0.3
93.07043	1.0
95.04944	0.4
95.08607	0.6
97.10188	0.2
98.98470	2.7
104.10751	2.6
105.07048	0.4
107.08591	0.5
109.10145	0.3
117.07003	0.3
119.08582	0.5
121.10120	0.6
125.00004	19.3
133.10059	0.3
149.02313	0.5
163.11176	0.2
184.07339	100.0
185.07610	0.4
189.05418	0.3
190.05798	0.4
193.04956	0.4
237.07466	0.5
258.11121	0.3
284.29532	0.3
377.23221	0.2
476.31100	1.0
494.20917	0.2
494.33221	3.2
495.29739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1844
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
53.03910	0.4
55.05499	1.6
57.03428	1.0
59.04991	1.5
61.02923	0.7
67.05492	1.6
68.36030	0.3
69.03415	0.7
69.07051	0.4
69.44883	1.2
69.45293	1.4
70.06559	0.6
71.04986	1.2
73.02910	0.5
79.05502	1.1
81.03416	1.0
81.07052	1.4
83.04962	0.4
83.08649	0.4
84.04500	1.1
85.02898	3.0
87.04458	1.6
91.05464	1.0
93.07029	1.1
95.08586	0.8
97.02877	1.0
97.06529	0.8
97.10174	0.6
98.97599	0.5
99.04467	0.6
102.05551	0.5
103.05467	0.4
105.07021	0.6
107.04974	0.6
107.08620	0.7
108.35742	0.4
109.06496	0.6
109.10126	1.9
117.07082	0.4
119.08595	0.6
121.02835	0.5
121.06541	0.4
121.10116	0.6
125.09602	1.2
127.03948	0.6
130.05000	4.4
131.00142	0.4
131.08517	0.4
132.04407	0.4
144.04465	1.0
147.04431	0.4
151.03860	0.8
161.09648	0.3
163.03981	0.5
173.11766	0.5
175.06262	0.8
176.07092	1.2
177.05513	0.7
177.12794	0.4
185.04263	0.4
186.06604	0.8
188.07210	0.7
195.33482	0.4
204.06560	5.0
229.07001	0.5
229.14401	1.3
235.16971	0.6
243.08221	0.5
255.11331	0.8
268.96509	0.4
283.10760	0.7
297.28540	0.4
321.07642	0.5
331.10086	1.4
333.10767	1.3
349.12601	3.8
365.11649	0.4
366.13220	2.0
445.15692	0.4
495.18384	100.0
496.18875	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01862	2.7
55.05510	0.9
56.96556	1.5
57.03435	5.1
59.05002	1.2
61.02934	9.5
62.24085	0.8
65.03942	1.0
67.05498	1.4
69.03093	1.5
69.03433	18.9
69.07043	1.3
70.06599	2.1
71.04985	3.4
71.53458	1.0
73.02921	5.1
77.03400	0.8
79.05484	2.6
81.03425	8.5
81.07059	1.3
83.01345	1.0
84.04507	2.0
85.02910	100.0
86.06068	1.2
86.09709	1.2
87.04461	3.1
89.06017	4.1
91.03959	4.9
91.05470	3.1
93.07059	5.1
95.04961	2.7
95.08573	1.7
97.02895	31.2
97.06554	1.1
98.97565	2.4
99.04439	4.1
101.02388	1.6
101.07151	1.6
103.03892	0.9
105.07016	2.0
107.04954	1.7
107.08559	1.1
109.02894	8.3
109.06465	1.2
109.10123	2.0
111.04456	0.9
114.05482	1.2
115.03921	1.7
119.04943	1.8
119.08588	4.0
120.08103	1.3
121.02870	22.3
121.06483	1.9
121.10131	1.3
123.04432	1.2
124.03958	2.2
127.03925	27.0
133.06497	1.1
136.07568	2.4
137.05945	1.0
137.09608	2.9
139.03934	1.2
145.04968	55.1
147.04449	1.8
147.08037	1.5
149.06004	1.8
153.05472	31.6
163.03909	2.0
163.06038	16.6
165.09100	9.9
170.07907	1.1
170.99591	1.0
177.05472	4.1
178.05812	2.0
179.07013	3.9
180.07413	1.3
181.08562	5.1
183.10170	7.3
189.05478	1.1
197.08058	1.0
199.09656	4.0
242.11407	2.3
268.08554	1.2
272.66687	0.9
304.11685	1.1
323.05527	2.3
373.06784	2.6
394.75882	0.9
399.86526	1.0
494.16650	2.6
494.22894	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.6
51.30568	0.4
53.03949	3.3
55.12543	0.4
57.03436	1.1
63.72326	0.4
69.03084	0.7
69.03432	9.6
70.06593	0.5
71.04993	1.5
71.17848	0.4
73.02938	0.7
78.03453	12.5
79.05495	1.2
80.05013	2.2
81.03420	17.8
81.97662	0.4
85.02910	6.9
87.04439	0.4
89.03921	0.6
91.05488	5.1
93.07027	0.6
95.04980	0.5
95.08584	0.6
96.04489	2.2
97.02894	5.5
98.97578	0.7
99.04464	3.3
106.02918	44.1
107.04957	1.3
107.08572	0.7
109.02883	12.5
119.04955	2.7
119.08588	0.5
120.08101	1.6
121.02863	0.7
121.10113	0.7
122.88456	0.4
124.03957	100.0
127.03929	6.6
129.08359	0.4
133.10132	0.5
134.09578	0.5
135.04431	2.3
145.02838	2.0
145.04933	0.7
147.04411	1.7
149.01299	0.4
149.02361	1.6
150.02829	0.5
158.99620	0.4
163.03914	5.1
164.04146	0.5
173.02342	0.6
177.05495	0.8
181.05014	0.7
182.05179	0.5
191.03450	3.5
193.80310	0.4
196.06062	0.8
202.04915	0.4
209.04449	3.9
215.07101	0.4
232.06020	1.4
243.08734	0.4
250.07124	27.4
268.08160	61.0
273.96936	0.5
286.09235	7.2
309.58221	0.4
476.12051	2.0
494.13312	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	493.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.4
57.03438	2.9
57.07079	50.9
61.02922	1.4
62.98265	1.2
67.05505	14.7
69.07074	10.6
69.98244	3.4
71.08635	35.2
75.04481	2.6
79.05499	2.4
81.03424	1.4
81.07064	19.7
83.08625	12.0
85.02892	1.9
85.06556	1.4
85.10184	19.1
89.06054	0.9
91.05478	2.3
93.07044	4.0
95.08614	28.6
97.02934	0.8
97.10175	9.1
98.21455	0.8
99.11720	1.5
105.07018	2.3
107.08617	1.8
107.42208	0.8
109.10172	14.4
111.11739	2.0
121.06544	1.0
121.10152	1.8
123.11727	6.6
124.93787	6.6
125.13228	1.2
131.08536	1.7
133.10120	2.1
133.97763	1.0
135.11734	1.0
137.13261	3.3
139.14734	0.9
147.11734	0.9
149.13239	1.0
151.14781	1.5
156.96393	13.4
157.10199	1.2
165.16451	1.5
173.13216	1.0
189.11179	1.0
212.98993	1.1
214.55275	0.9
221.22722	1.6
227.12807	1.0
239.23703	39.1
257.24649	6.1
298.27567	0.9
313.27374	100.0
314.27774	0.9
331.28458	4.7
461.20386	3.1
493.22925	27.6
493.31827	2.6
493.38715	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01864	1.0
55.05510	13.6
57.03447	6.2
57.07077	33.5
65.03906	1.8
67.05508	36.0
69.07071	14.8
69.28742	5.7
69.29151	1.8
71.01357	2.4
71.04990	2.0
71.08633	19.2
79.05495	28.1
81.03422	4.5
81.06595	1.6
81.07058	28.7
83.04980	5.6
83.08617	11.3
85.06540	2.2
85.10188	12.5
91.04972	1.3
91.05488	10.7
93.07047	29.5
95.04955	2.6
95.08607	23.3
97.06535	7.6
97.10172	11.6
99.08070	1.2
99.11737	1.2
99.79247	0.9
105.07025	3.1
107.04934	1.1
107.08598	16.4
109.10155	12.3
111.08058	1.1
111.11664	1.7
113.91780	0.8
117.07030	3.1
119.08590	4.3
121.06529	1.1
121.10168	4.6
123.11682	4.4
125.09571	1.4
133.10115	2.1
135.08147	1.0
135.11697	30.5
137.13237	2.1
145.10156	6.5
153.12726	0.9
157.30444	0.8
160.16574	0.8
163.11243	5.8
181.12236	6.3
199.13297	1.8
219.80441	1.0
239.23682	9.3
253.37512	1.0
436.98645	1.0
493.38904	100.0
494.39282	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2798
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.39574	1.1
53.03940	3.1
55.01871	8.1
55.05515	19.4
57.03440	8.7
59.05002	2.8
62.16137	1.0
64.91940	1.0
65.69051	1.0
67.05182	1.9
67.05511	26.4
69.03429	3.8
69.07085	6.2
70.04839	4.9
71.05009	8.2
75.23503	1.1
78.33974	1.3
79.05498	30.8
81.03424	50.5
81.07063	30.5
83.01336	5.0
83.04995	15.3
83.08624	20.8
85.02916	21.6
85.06552	2.1
89.60399	1.0
91.05486	29.2
93.07051	26.2
95.04976	21.9
95.08617	12.8
97.02892	4.3
97.06535	5.0
97.10182	5.4
98.20766	1.3
99.08109	1.5
105.04555	1.1
105.07034	21.1
107.04959	9.8
107.08616	15.8
108.60355	1.1
109.06541	6.3
109.10161	3.3
111.04453	4.3
111.08088	9.7
113.06014	1.8
115.05431	1.3
117.07019	8.3
119.08581	16.1
121.06496	4.1
121.10154	10.2
123.08060	9.1
123.11693	1.5
125.09656	2.6
129.07001	8.6
130.07758	2.0
131.07744	1.3
131.08559	7.8
133.06464	3.1
133.10115	9.9
135.08083	1.9
135.11691	6.2
137.09630	2.4
145.06497	2.0
145.10117	10.8
147.08054	3.9
147.11687	8.9
149.09633	5.3
153.12767	3.2
157.10141	9.3
163.11206	18.7
165.12758	1.4
173.09605	2.2
175.11165	8.8
181.12213	3.8
191.10713	4.5
193.12257	36.5
209.11681	8.6
211.13304	48.7
227.12825	5.0
249.14833	2.3
262.65323	1.2
267.16077	6.5
283.15521	4.8
383.22256	4.7
401.23029	2.2
447.27441	1.5
475.26941	7.7
493.27991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2796
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03935	4.6
55.01876	10.6
55.05511	22.5
55.58916	1.4
57.03430	6.2
57.07072	1.6
59.04992	2.4
65.03954	2.0
67.05505	32.1
69.03413	3.0
69.07060	8.6
70.89899	4.0
71.04985	6.4
71.56152	1.5
79.05490	36.0
81.02930	2.6
81.03416	48.4
81.07055	28.3
83.01345	3.6
83.04987	15.7
83.08625	18.0
85.02905	14.6
85.06557	2.5
91.05482	31.2
93.03391	1.6
93.07050	28.6
95.04970	23.4
95.08615	11.9
97.02899	3.0
97.06527	6.4
97.10166	9.9
103.05417	1.8
105.04472	1.5
105.07036	19.4
107.04956	12.7
107.08595	14.2
109.06532	7.1
109.10155	11.5
109.37089	1.7
111.04450	6.6
111.08085	7.8
113.06010	1.5
114.74590	1.5
115.05455	2.3
117.07021	9.6
119.08581	17.8
121.02873	4.4
121.06506	6.9
121.10148	11.1
123.04440	2.6
123.08085	8.3
124.29934	1.3
125.05972	1.5
125.09637	9.6
129.06995	9.7
131.08575	9.4
133.06512	4.0
133.10143	7.3
135.04378	2.6
135.08080	2.4
135.11707	7.9
137.09631	2.2
142.07780	2.7
143.08655	2.4
145.10129	12.6
147.08054	4.3
147.11673	7.9
149.09613	5.0
149.13239	1.5
153.12730	4.7
155.08530	2.5
157.10143	6.4
159.11711	2.1
163.11180	17.5
165.12753	2.8
166.07913	1.5
171.10162	1.6
173.09590	3.4
175.11235	8.1
181.12277	4.5
185.13324	1.6
189.11292	5.6
191.10692	5.7
191.14714	1.5
193.12257	29.7
201.12679	1.7
209.11726	15.6
211.13289	36.2
219.13858	1.8
227.12735	12.2
229.14406	3.6
231.13861	2.4
247.13260	12.3
249.14900	4.6
267.15921	11.0
283.15372	7.4
383.22107	7.2
401.23331	5.7
419.24335	2.3
457.26001	4.2
475.26904	28.5
493.28000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2797
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03938	4.7
55.01874	10.0
55.05513	18.7
57.03440	10.6
57.07082	1.7
59.04993	2.5
63.60494	0.6
65.03936	1.5
66.91962	0.6
67.05508	26.5
69.03436	4.6
69.07069	7.3
70.68847	0.6
71.01350	1.3
71.04998	6.3
71.06796	1.4
77.03913	0.9
77.93348	0.7
79.05495	29.4
81.03420	46.4
81.07059	29.4
83.01348	6.0
83.04984	15.8
83.08623	20.9
85.02908	21.7
85.06541	1.9
91.05486	28.9
93.07050	28.2
93.07641	1.4
95.04971	21.0
95.08614	11.2
97.02886	2.7
97.06530	5.9
97.10162	3.9
99.04456	1.5
103.05505	1.3
105.04515	1.0
105.07034	21.5
107.04952	9.5
107.08598	10.9
109.02875	0.8
109.06516	8.6
109.10133	4.0
111.04442	3.9
111.08081	7.3
113.05978	0.9
115.05457	1.8
117.07037	7.4
119.04939	0.7
119.08587	17.5
121.06514	3.7
121.10146	10.8
123.08067	7.2
123.11693	1.6
125.05994	1.4
125.09669	3.3
128.06252	1.0
129.07019	7.7
130.07840	1.5
131.08578	9.0
133.06500	2.0
133.10130	7.0
135.08058	2.1
135.11687	9.4
137.09633	2.1
142.07782	2.0
143.08553	0.8
145.06534	1.3
145.10126	12.1
147.08057	3.8
147.11719	8.9
149.09651	4.1
151.11192	1.4
153.12747	2.8
155.08533	1.1
157.10144	8.1
159.11707	0.9
163.11197	21.0
165.12753	2.2
173.09698	2.2
175.11176	8.1
181.12271	2.6
189.05397	0.8
191.10696	2.6
193.10431	1.2
193.12254	35.1
209.11726	7.0
211.13297	45.6
227.12788	4.5
249.14775	0.8
267.15884	4.2
283.15427	3.1
285.17120	0.7
315.80212	0.7
329.82123	0.8
383.22177	2.8
401.23163	1.7
447.28467	0.8
475.26837	6.2
493.27982	100.0
494.28168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25806	1.3
53.03929	3.6
55.01874	8.3
55.05509	22.2
56.63821	1.3
57.03437	9.4
59.04982	1.7
65.03936	2.5
67.05506	31.0
68.14468	1.5
69.03419	4.2
69.07072	9.5
70.80098	2.5
71.04984	5.2
73.02917	1.3
77.03937	2.1
79.05490	38.0
81.03417	54.5
81.07058	35.0
81.62647	1.5
83.01336	2.4
83.04974	13.1
83.08618	19.9
85.02913	14.0
91.05477	33.3
93.07047	40.2
95.04971	24.0
95.08067	2.3
95.08617	28.3
97.02879	6.0
97.06525	7.4
97.10168	6.0
99.04455	3.0
103.05492	1.8
105.04563	1.7
105.07030	21.8
107.04954	13.9
107.08589	27.5
109.06516	6.2
109.10153	8.2
111.04446	6.2
111.08086	7.7
113.05988	3.0
115.05470	2.6
117.07008	10.8
119.08582	21.4
121.02868	2.7
121.06516	7.2
121.10137	19.0
123.04416	2.1
123.08075	5.1
125.06001	2.7
125.09624	4.9
129.07004	8.8
130.07858	2.2
131.08554	8.5
133.06448	2.8
133.10136	6.4
135.04443	2.1
135.08057	3.5
135.11696	29.1
137.09650	2.1
139.07617	1.6
143.08575	2.7
145.10121	20.1
147.08043	4.1
147.11687	8.8
149.09602	7.4
150.13188	1.4
153.12755	5.1
155.08638	1.7
157.10133	9.3
163.11191	40.4
165.12791	2.4
170.31844	1.5
173.09676	2.2
175.11180	10.2
181.12180	10.9
183.11568	1.5
189.11258	2.1
191.10690	2.3
193.12244	36.5
209.11646	10.1
211.13292	51.3
212.50041	1.6
227.12778	63.8
229.14333	2.2
247.13272	7.4
249.14922	3.4
265.14301	2.7
267.15933	28.7
283.15323	12.6
383.22375	3.2
401.23340	4.8
419.24103	2.2
458.26974	1.5
475.26862	26.4
493.27951	100.0
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
53.03936	4.1
55.01876	7.2
55.05275	1.1
55.05516	17.4
57.03436	7.0
59.04981	1.2
59.59172	0.9
62.06635	1.1
64.61210	1.1
65.03925	1.5
67.05181	1.6
67.05506	20.8
69.03429	2.2
69.07072	6.1
71.05001	5.9
73.97260	0.9
79.05495	24.8
81.03421	39.4
81.07056	24.3
83.01350	4.8
83.04980	14.1
83.08157	1.2
83.08628	14.6
85.02905	18.2
85.06567	1.4
88.41584	1.1
90.19553	1.0
91.05488	24.5
93.06493	1.6
93.07048	21.9
94.33253	0.9
95.04971	19.7
95.08604	9.5
97.02885	2.8
97.06522	4.5
97.10169	3.8
99.04462	1.1
103.05460	1.3
105.07045	17.8
107.04951	10.1
107.08605	13.9
109.02907	1.1
109.06534	5.7
109.10154	2.7
111.03712	1.0
111.04440	3.4
111.08088	7.3
113.05987	1.3
115.05407	1.2
117.07040	5.8
119.08575	14.6
121.06487	2.3
121.10131	7.8
123.08082	5.1
123.11743	2.0
125.05997	1.6
125.09645	1.7
129.07042	6.6
131.08577	7.4
133.06488	2.0
133.10146	5.2
135.08092	2.6
135.11688	7.3
137.09586	1.8
139.07588	1.0
142.07813	1.3
145.06514	1.0
145.10129	11.2
147.08011	3.3
147.11711	7.0
149.09622	4.0
153.12764	1.5
157.10107	7.6
163.11183	19.2
165.12700	1.9
173.09590	2.0
175.11133	7.4
181.12268	3.3
191.10623	1.8
193.12256	33.8
201.19139	1.0
209.11723	6.2
211.13284	44.8
217.93944	1.2
227.12837	3.1
265.14505	1.2
267.15955	3.8
283.15433	3.6
383.22186	2.0
401.23181	2.2
457.26254	1.5
475.26941	4.3
481.62903	1.0
493.27957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2281
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
53.03942	2.7
55.05517	12.8
57.03436	2.4
57.07065	5.6
67.05507	21.7
69.03430	14.5
69.07060	5.8
71.05012	10.3
71.34240	4.0
72.08147	2.3
72.38528	1.8
78.73022	2.2
79.05499	9.4
81.03434	10.0
81.07059	100.0
83.04989	2.6
84.08131	7.0
85.02917	10.7
85.06523	7.9
86.09688	3.0
87.04475	2.2
91.05482	6.4
93.07045	11.1
95.04958	8.9
95.08618	23.7
97.02898	5.2
97.06569	2.4
97.10173	13.1
99.04441	3.7
99.08062	3.4
105.07009	4.9
107.08592	6.1
109.02888	10.5
109.06524	5.9
109.10181	5.1
111.04391	2.0
119.08566	2.6
120.08086	6.2
121.04790	2.3
121.10099	2.3
123.08073	3.3
123.11712	84.3
125.10770	5.8
127.03916	13.6
131.08554	1.9
133.10136	7.9
137.05984	24.4
137.09596	2.3
139.11136	2.3
141.12758	3.8
149.01134	1.9
149.06023	2.0
151.07544	8.2
151.11197	19.4
158.99641	2.0
162.07018	1.8
163.03897	3.3
163.07578	4.7
167.08455	1.9
169.12244	58.1
181.15764	2.4
187.07593	2.0
187.13335	37.0
249.15004	2.2
287.05527	4.0
287.12885	4.4
288.05862	2.6
295.15381	7.1
303.04913	9.6
313.16479	8.6
331.17502	29.7
475.21320	2.4
493.23584	16.8
493.30640	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2811
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.65130	0.3
51.65569	0.3
52.42604	0.3
55.01868	0.4
55.05515	5.3
57.05825	0.6
65.03967	0.3
67.05524	2.2
69.07067	0.9
69.61076	1.9
71.01341	0.3
72.08161	48.6
79.05489	2.1
81.03419	2.0
81.07069	2.7
83.04993	1.2
83.08631	1.3
91.05488	2.7
93.07055	3.5
95.04968	1.3
95.08589	1.6
97.02010	0.3
97.02936	0.3
97.06548	0.6
103.05480	2.2
105.07013	2.0
107.04967	0.6
107.08607	1.9
109.06548	0.4
109.10137	1.6
111.04462	0.9
111.08049	0.5
117.07066	0.7
119.08561	1.7
120.08114	100.0
121.06497	0.5
121.10146	1.1
123.08126	0.3
123.11688	0.5
125.09649	0.4
129.07013	1.0
130.06566	0.4
131.08589	1.1
133.06476	0.3
133.10149	0.9
135.11700	1.4
145.10136	1.0
147.11687	1.2
149.09662	0.6
149.13257	0.6
153.12775	0.4
157.10141	0.7
159.11702	0.4
161.13246	0.6
163.11185	0.9
171.14951	8.1
174.12782	3.2
175.73871	0.3
181.12190	0.4
189.05510	1.8
189.11311	0.4
193.12215	0.7
199.14435	6.6
211.13344	1.0
219.14948	17.2
222.12787	0.7
227.12718	1.0
240.08949	0.3
247.14447	20.8
249.14735	0.4
267.14935	8.3
273.19565	1.3
283.15295	0.6
295.14444	12.9
301.19119	3.6
321.19595	1.0
346.21271	8.8
349.19141	1.9
394.16583	0.5
394.21307	7.1
439.35507	0.5
448.25876	1.2
465.28339	1.1
475.26703	1.0
493.27835	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	492.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.9
66.67960	4.1
66.89860	3.6
67.05508	31.5
69.07063	15.4
69.53256	26.6
70.66414	3.8
71.04983	4.9
79.05493	23.0
81.03430	10.2
81.07063	35.6
83.04979	5.3
83.08622	12.6
85.06534	4.0
91.05494	24.6
92.05810	4.3
93.07052	37.3
95.08611	46.4
102.51463	3.8
105.07031	51.6
106.64297	4.5
107.08601	49.9
109.06493	6.0
109.10161	23.0
117.07015	9.9
119.08588	64.0
121.10152	44.4
123.08063	13.5
123.11699	9.1
131.08588	20.7
133.10132	36.6
135.11699	39.0
136.11893	3.8
137.13242	7.5
143.08565	11.7
143.75230	4.0
145.10138	35.5
147.08025	7.9
147.11719	30.1
149.09636	5.9
149.13264	11.0
153.09154	7.0
155.08521	4.2
157.10130	17.1
159.11710	41.5
161.09654	7.8
161.13239	43.7
163.11174	11.9
163.14775	10.1
167.10655	6.1
169.08658	7.5
169.10129	8.1
171.11679	12.4
173.13268	24.8
175.11250	10.0
175.14819	13.4
176.53673	3.6
177.12720	8.4
179.10712	4.3
183.11609	3.6
185.13271	10.8
187.14874	11.0
189.05467	7.5
189.12778	6.6
189.16403	4.6
191.10590	5.5
193.12212	6.7
197.13316	8.0
199.14835	12.6
201.16304	6.0
201.56401	4.9
203.14326	9.9
203.17949	4.2
211.13071	5.0
213.16380	9.0
219.13875	4.4
221.15408	10.1
227.12843	4.4
227.17908	5.9
233.15344	7.9
286.32071	5.2
329.24701	6.2
331.26282	5.7
341.24518	5.1
363.26797	8.8
369.27863	7.2
381.27960	37.4
399.28894	42.5
417.29993	100.0
421.31027	8.9
439.32175	28.1
457.33224	32.4
475.34088	5.3
492.27411	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	492.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.05499	1.0
57.03434	4.1
58.58752	0.8
61.02925	1.6
61.34446	0.9
65.03920	1.1
66.85893	1.0
67.05508	1.8
68.22155	0.8
69.03438	5.6
69.11290	0.8
70.06572	1.9
70.94950	0.9
71.55335	0.9
73.02924	8.7
79.05474	3.2
81.03411	1.3
81.07037	1.8
83.04978	1.5
85.02909	8.7
87.04465	1.9
89.06035	2.4
91.05486	18.7
93.03393	1.0
93.07034	4.3
95.08605	1.9
97.02901	7.3
98.97559	1.7
99.04474	1.7
103.05439	1.3
104.06189	1.1
105.07031	11.7
107.08617	4.9
109.02887	2.1
115.03941	3.6
116.98640	0.9
117.07018	5.9
119.04900	1.6
119.08585	68.6
120.09384	11.3
121.02840	1.2
121.10120	2.8
123.08105	3.4
124.03936	2.0
127.03927	2.8
128.06247	1.4
131.08556	5.8
133.02805	1.2
133.10168	1.1
135.08057	7.3
143.08604	1.8
145.02858	1.4
145.04965	2.7
145.10143	3.1
147.04361	2.4
147.08014	1.9
149.02351	45.5
149.09624	1.0
157.10176	1.1
159.08061	6.8
161.05954	0.9
161.09624	2.8
163.03909	35.1
163.07533	15.1
164.60623	0.8
171.07991	2.1
173.13280	2.7
177.05515	4.0
177.09090	3.3
181.04964	26.9
181.08595	10.7
185.09579	2.0
187.07489	1.2
187.11209	1.2
189.09200	1.3
191.14342	2.6
193.37311	0.9
197.09671	1.1
199.07616	2.4
199.35049	1.1
203.06990	1.1
203.10713	0.9
215.10631	1.5
217.08531	1.1
231.10211	1.7
233.11778	1.3
237.02718	0.9
241.08549	1.7
249.11215	3.9
259.09766	1.3
277.10797	3.2
295.11771	100.0
318.13354	1.2
464.18622	0.9
492.14438	6.2
492.32333	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.05492	0.8
56.96565	1.3
57.03196	0.7
57.03439	8.8
60.04520	0.9
60.85472	0.7
61.02915	2.7
65.03933	0.9
69.03438	8.7
69.07058	0.8
69.34416	5.4
69.81908	0.7
70.06590	0.7
71.01368	1.3
73.02921	18.0
79.05495	1.3
81.03430	3.3
84.04504	1.1
84.08144	1.1
85.02913	13.2
86.09693	1.4
87.04463	2.0
91.05477	2.3
93.07040	2.5
95.04944	1.4
95.08605	0.7
96.04489	0.7
97.02891	11.2
98.97556	2.0
99.04473	1.0
105.07063	0.7
105.90171	0.6
106.02922	2.1
107.08620	3.1
109.02880	1.8
115.03942	9.2
117.03380	2.7
119.04913	1.3
119.08566	1.1
121.02857	3.9
121.06515	0.9
121.10123	1.1
121.54781	0.6
122.49517	0.6
124.03982	5.9
127.03942	4.6
131.08528	1.3
133.02850	2.2
133.04951	2.6
133.10152	3.2
135.04417	2.3
137.05960	1.0
139.03888	0.9
144.06543	2.0
145.02873	5.8
145.04977	3.1
147.04433	2.3
149.02348	100.0
149.05971	2.1
149.09531	0.7
149.13310	0.8
150.07574	0.9
153.05499	1.7
157.05029	0.6
158.99643	0.9
162.07567	1.1
163.03911	77.6
173.13278	2.5
175.03912	1.0
176.03336	0.6
177.05476	17.6
180.08673	1.6
181.04961	57.7
189.05441	1.4
190.84354	0.7
191.14301	3.2
198.33659	0.7
207.06580	1.6
209.15410	1.0
219.01706	0.9
220.86305	0.6
227.12775	0.7
250.07146	1.6
268.08099	3.3
294.11816	0.8
296.12003	1.0
296.62289	1.3
318.13278	0.6
339.10684	0.9
364.60190	0.7
374.19183	0.8
434.40735	0.6
459.76132	0.7
492.15005	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	491.3731
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
51.70569	2.2
53.03946	4.0
55.01867	4.1
55.05516	15.2
57.07051	2.3
59.72837	2.2
67.05504	42.6
69.07072	16.8
70.93781	2.6
70.94136	4.5
71.04985	6.4
79.05487	31.7
81.03413	4.2
81.07055	63.7
83.04980	6.4
83.08614	13.3
85.06554	5.1
91.05473	33.4
93.07046	72.9
95.04948	5.8
95.08609	100.0
97.06535	5.2
97.10153	4.8
101.06063	2.1
105.07027	59.4
107.07876	4.0
107.08594	67.5
109.06524	11.5
109.10162	43.4
111.08073	13.1
117.07015	13.3
119.06023	2.3
119.08575	52.9
121.06532	5.7
121.10151	43.7
123.08065	10.6
123.11703	14.1
127.07521	3.5
128.06253	2.2
129.07013	6.2
130.61023	1.9
131.08572	27.3
133.10132	50.6
135.08009	3.6
135.11678	26.7
137.09593	3.9
137.13213	2.9
141.06960	2.2
142.07774	4.1
143.08592	12.2
144.09322	5.0
145.10135	44.3
147.08060	4.3
147.11685	38.9
149.09627	9.5
149.13298	18.7
150.08461	2.1
151.11250	2.7
153.09167	3.3
155.08575	2.7
157.10095	18.9
159.11687	41.4
159.12894	4.0
161.09608	7.4
161.13255	25.9
163.11177	6.6
163.14830	6.6
165.12711	3.8
167.10686	5.3
169.08611	5.8
169.10059	3.1
171.11713	9.0
173.13258	20.5
175.11180	7.6
175.14813	15.4
177.12822	12.7
177.16368	2.6
181.12288	5.1
183.10164	3.7
183.11673	6.6
185.13237	9.7
187.14757	11.2
189.12759	5.3
189.16376	12.6
191.14362	5.0
191.18001	2.9
193.12224	5.0
195.13789	6.9
197.13243	4.4
199.14816	12.2
201.12776	3.8
201.16400	20.0
203.14352	8.1
203.17950	7.2
205.15930	4.4
207.13792	6.1
209.13373	2.9
209.15349	6.2
213.16339	8.6
215.17918	8.3
217.15891	4.7
219.13737	5.8
219.17419	6.1
221.15416	5.9
225.16525	2.9
227.17952	3.8
229.15837	3.8
231.17422	4.8
233.15396	6.9
233.19040	3.4
235.16982	6.0
237.14772	4.1
247.16928	5.3
249.18523	5.6
261.18509	3.8
311.23825	5.4
315.23260	3.5
329.24936	16.0
331.26129	3.3
347.25659	9.4
355.26270	3.0
381.27826	4.6
397.27170	4.8
399.28903	3.5
425.34058	8.3
437.34528	18.2
455.35562	18.0
473.29684	2.6
473.36465	13.0
491.29865	2.8
491.36847	3.2
493.79419	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05500	2.7
55.06036	0.3
56.96544	0.6
57.03428	0.6
57.07059	0.7
65.03916	0.3
67.05503	6.1
69.03400	1.2
69.07066	3.1
70.06913	0.3
71.04979	0.7
71.55822	0.4
79.05494	3.4
81.03410	1.9
81.07055	8.2
83.04961	1.2
83.08602	2.4
85.02866	1.1
85.06528	0.8
89.03915	0.3
91.05466	2.9
93.07035	2.6
95.04935	1.2
95.08604	7.4
97.02882	0.5
97.06531	5.2
97.10173	2.8
98.97582	0.4
99.08083	0.4
105.07003	1.3
107.04940	1.4
107.08588	2.6
109.02876	0.5
109.06544	0.5
109.10152	9.3
111.04427	0.5
111.08095	0.6
111.11694	0.9
117.03362	0.3
117.07040	0.7
119.04935	0.7
119.08585	4.1
121.02846	1.2
121.06488	0.9
121.10106	1.3
122.07293	1.7
123.04411	0.6
123.08044	0.9
123.11713	7.1
125.09623	2.3
125.13219	0.5
131.08543	1.1
133.10132	1.5
135.04431	0.7
135.08052	0.7
135.11690	1.0
137.05963	0.7
137.09616	11.1
137.13232	0.8
141.06961	0.4
143.00195	0.4
145.02823	0.6
145.06490	0.6
145.10049	0.4
147.04417	2.0
147.08026	0.6
148.04797	0.5
149.09593	0.5
149.13271	0.8
151.03859	0.4
151.07558	0.4
151.14830	0.7
153.09044	0.4
155.08485	0.4
155.10680	0.6
159.04466	0.6
159.08093	0.4
161.02344	0.8
161.06038	0.4
161.09593	0.6
163.03923	3.2
163.11127	0.6
165.09106	100.0
166.09474	0.6
167.07083	0.7
171.11673	0.4
173.02382	2.8
173.11757	0.8
175.11179	0.5
177.09241	0.3
179.17918	0.3
181.04941	0.4
183.10153	0.7
189.05569	0.4
189.11211	1.2
189.12764	0.4
191.10625	0.7
191.14272	0.6
193.12180	0.6
197.04181	1.2
201.11215	1.6
205.12224	0.7
209.11818	0.4
215.05228	2.4
215.07068	3.0
219.13857	1.9
227.12711	1.4
229.12173	0.4
231.01711	0.4
247.13292	0.9
259.09650	3.7
260.10144	0.6
263.27301	0.7
275.27313	0.5
277.10654	0.6
281.28308	0.4
285.10217	0.4
293.24969	0.7
293.28381	1.7
299.05692	0.4
299.08856	0.7
299.11798	0.4
303.82770	0.3
319.15903	0.3
321.24304	0.8
329.10138	0.4
333.06436	0.3
339.25204	2.9
350.64209	0.3
363.19519	0.3
381.20572	0.6
389.23511	0.4
399.21625	0.7
417.22729	0.6
427.13712	0.4
427.31888	0.5
445.25986	0.7
445.32837	0.4
455.13171	1.2
455.24298	0.4
463.26669	0.5
473.14206	10.9
473.25385	1.4
473.32568	0.8
489.10422	0.5
491.15323	16.6
491.26108	5.4
492.16068	0.5
507.11847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3003
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03942	10.7
55.01870	6.5
55.05513	35.7
57.03442	14.4
62.28924	2.3
65.03938	4.6
67.05505	61.6
69.03423	5.3
69.07059	14.5
69.21367	25.6
71.04988	7.0
73.06564	2.4
79.05494	86.9
81.03418	65.3
81.06588	4.1
81.07057	66.0
83.04960	19.3
83.08614	29.5
85.02892	11.6
85.06550	6.4
91.05480	100.0
93.07042	69.6
95.04964	39.3
95.08609	33.8
97.02872	3.2
97.06537	7.5
97.10165	11.7
99.04436	2.9
99.08102	3.5
105.04435	2.3
105.07033	63.4
107.04968	9.6
107.08595	29.0
109.06522	8.7
109.10129	11.6
111.04392	2.9
111.08083	7.1
117.07017	22.4
119.04941	4.0
119.08596	35.0
121.06513	7.2
121.10157	13.5
123.08067	9.7
123.11700	13.9
125.09624	9.0
128.06238	4.7
129.06996	22.7
131.08578	17.8
133.06508	4.7
133.10127	24.7
135.08047	5.3
135.11710	12.0
137.09503	2.8
141.06912	4.5
143.08560	18.2
145.10104	17.0
147.08022	7.6
147.11696	33.7
149.09679	4.3
157.10130	14.5
159.11638	3.8
161.09627	3.7
161.13264	9.8
163.11185	7.4
165.12708	3.7
169.10101	4.0
171.11693	25.8
173.13261	3.7
175.11215	9.4
179.14417	2.9
185.13243	4.2
187.13306	6.2
189.11194	6.4
189.12813	10.6
193.12236	31.0
207.13820	22.6
209.11662	3.4
211.13275	18.4
211.14995	3.5
227.12796	8.9
231.13860	3.4
239.04837	2.6
243.15840	4.8
247.16928	2.9
249.14925	8.1
267.15903	37.9
281.17438	26.7
305.17426	7.9
321.06345	2.7
351.25513	4.8
381.24072	6.7
399.25412	6.5
400.51096	3.0
406.61404	2.5
455.27802	5.0
458.55841	2.5
462.78552	2.9
473.28952	68.3
491.30685	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01873	11.8
55.05511	42.0
57.03429	8.1
58.21693	1.9
59.04991	2.9
65.03931	3.6
67.05507	48.9
69.03425	5.1
69.07064	17.5
71.04990	13.7
71.55878	2.0
75.35408	1.8
77.03944	2.0
79.05495	62.7
81.03429	19.3
81.07054	51.1
83.01341	3.6
83.04996	14.6
83.08617	22.7
85.02909	5.3
85.06539	5.3
91.04913	2.5
91.05476	36.4
93.06483	3.7
93.07045	60.6
93.07637	3.4
93.56976	1.7
94.06874	1.6
95.04978	27.4
95.08060	2.7
95.08609	30.0
96.09016	2.1
97.02894	5.2
97.06541	11.5
97.10171	31.2
102.09640	1.5
103.05454	2.3
105.07036	25.3
107.04958	50.3
107.08595	35.5
109.02872	3.2
109.06509	21.0
109.10159	16.6
111.04451	5.7
111.08085	3.5
117.07013	17.4
119.08584	17.1
121.02853	2.1
121.06506	31.3
121.10150	24.5
123.04418	5.1
123.08064	6.9
123.11725	2.0
125.09637	26.8
128.06230	2.7
129.07050	10.5
131.04926	4.8
131.08568	24.9
131.98247	1.7
133.06526	4.4
133.10139	11.3
135.04396	2.7
135.08043	12.2
135.11685	17.8
137.09608	4.1
139.11217	2.1
141.07005	3.5
143.08553	9.4
145.06473	12.6
145.10127	23.2
147.04414	3.4
147.08047	6.5
147.11696	3.9
149.09612	10.6
151.07532	2.9
153.09145	4.2
153.12733	3.3
155.08530	6.4
157.10139	5.0
159.08069	6.6
159.11696	5.6
161.05991	5.9
161.09628	6.5
163.07576	2.1
163.11180	22.9
165.09131	15.1
167.08635	2.4
167.10712	3.7
169.10086	3.4
171.10225	2.2
171.11674	2.9
173.09613	6.9
173.13280	8.0
175.07527	4.1
175.11153	4.3
181.10052	2.4
181.12241	4.9
183.11685	3.8
185.09618	4.2
187.14798	1.9
189.05592	2.2
189.09180	5.6
189.11215	13.5
189.12669	2.6
191.10680	5.2
191.14331	6.3
193.12265	4.9
195.11610	2.0
197.09656	3.1
197.13303	5.2
199.11359	2.9
199.13318	5.7
201.12775	4.5
205.12268	3.2
209.09956	2.2
209.11601	9.6
211.11159	3.6
213.12651	3.1
215.14360	3.1
219.13809	23.3
223.11359	2.0
227.12737	29.4
227.14601	2.5
229.16023	3.0
231.13977	1.9
233.15358	7.0
247.13205	2.2
247.16910	3.1
249.14879	5.0
255.13835	4.3
263.12744	2.7
265.14270	4.2
271.16992	2.2
273.14850	7.1
275.16422	5.2
283.15540	2.8
331.20651	2.2
339.23276	3.8
349.21652	8.2
367.22678	31.2
371.22565	2.9
382.93445	2.3
385.23764	36.1
389.23334	2.7
403.24631	7.2
405.24362	3.2
414.83221	2.6
417.26581	3.1
423.25131	3.0
441.26306	7.3
445.25720	6.2
459.27420	100.0
463.26923	5.6
473.25183	6.8
473.30121	2.5
491.26114	45.0
491.30209	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	491.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.5
55.01878	10.4
55.05515	50.7
55.05765	2.3
57.03407	5.8
59.04982	3.0
65.03917	1.8
66.57181	1.3
67.05509	35.5
67.05847	1.4
67.79517	1.4
69.03432	6.8
69.07077	11.3
69.48100	10.3
71.04958	5.9
79.05499	41.0
81.03419	12.4
81.07058	33.6
83.04983	8.1
83.08620	31.4
85.06499	2.9
91.05476	21.7
93.07047	25.1
95.04969	14.7
95.08607	12.7
96.27324	1.3
97.02879	2.2
97.06474	5.3
97.10173	64.1
103.05456	1.6
105.07041	15.5
107.04963	29.6
107.08594	23.5
109.02812	5.3
109.06522	14.4
109.10150	7.8
111.04336	2.2
111.08093	6.5
115.05453	1.4
117.07023	10.7
119.04893	1.7
119.08585	9.5
121.02845	3.2
121.06515	19.9
121.10150	9.1
123.04405	3.0
123.07999	3.7
125.09637	53.1
128.06180	2.7
129.06915	6.0
131.04892	2.7
131.08571	12.1
133.06418	4.0
133.10139	8.2
135.04381	2.7
135.08060	10.1
135.11604	5.7
137.05905	2.1
137.09540	1.5
139.10971	1.9
141.06989	2.2
143.08510	3.5
145.06375	5.4
145.10133	11.2
147.08020	3.1
147.11597	4.3
149.02278	1.7
149.09512	3.9
151.07402	1.7
153.09000	5.7
155.08469	2.8
157.10034	2.8
159.07974	2.8
159.11571	3.5
161.05954	2.1
161.09648	6.6
163.11188	9.2
165.09140	7.0
167.10547	1.7
169.10037	3.0
171.07976	3.4
171.10228	6.3
171.11411	2.4
173.09483	3.3
173.13309	6.9
175.03627	1.6
175.07426	1.6
175.11150	2.5
179.10637	1.7
181.12114	2.2
183.11552	2.7
185.09442	1.4
187.20457	1.7
189.05484	1.6
189.09306	2.6
189.11229	29.2
191.10509	2.7
191.14326	8.8
193.12151	4.1
199.13235	2.3
201.12573	2.3
209.09674	1.4
209.11644	4.3
219.13803	53.5
225.11075	5.0
227.10637	2.0
227.12747	25.2
233.15619	1.3
237.14729	1.7
245.11699	2.2
247.13084	1.7
249.14563	2.1
263.12561	5.2
273.14694	2.0
275.16208	2.1
345.80710	1.3
349.21429	2.0
353.20798	3.2
367.22751	9.1
371.22153	7.2
381.20291	5.1
385.23663	8.4
389.23248	10.2
399.21646	7.2
403.24493	1.5
407.23978	3.5
417.21967	1.9
441.26190	2.3
445.25839	22.8
447.26959	2.1
459.27454	27.2
463.26904	14.7
473.25339	16.4
491.25867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01873	17.6
55.05510	30.6
56.81675	0.7
57.03434	7.3
57.07061	2.5
59.05001	6.5
65.03930	1.8
67.05503	30.4
69.03409	2.9
69.07065	10.2
70.53511	1.5
70.53875	1.3
71.01330	1.9
71.04662	0.9
71.04993	9.2
73.02887	0.9
73.50969	0.7
77.03892	1.0
79.05492	46.5
81.03412	24.6
81.07056	42.3
83.01342	16.1
83.04975	24.5
83.08161	1.3
83.08615	17.7
85.02906	5.8
85.06526	2.7
91.05480	35.1
93.07043	53.1
95.04967	15.5
95.07984	1.1
95.08601	21.7
97.02898	4.5
97.06529	9.6
97.10154	4.8
98.20912	1.0
99.04447	5.4
103.05462	1.6
105.04490	1.6
105.07030	24.8
107.04237	1.1
107.04955	20.9
107.08590	29.3
107.09312	1.7
109.02855	1.7
109.05824	0.9
109.06524	15.4
109.10146	6.9
111.04431	7.2
111.08099	3.8
111.11674	1.2
112.46301	0.6
115.05434	1.3
116.06297	0.9
117.07018	17.2
119.08580	22.7
121.06494	7.8
121.10143	20.0
123.04406	1.3
123.08067	13.6
123.11675	2.7
125.06007	3.6
125.09606	4.4
128.06161	1.2
129.06964	4.7
130.07819	3.6
131.04919	1.0
131.08549	9.2
133.10126	6.8
135.04391	1.0
135.08073	6.2
135.11691	26.5
137.09615	3.1
137.13243	1.2
139.07520	1.8
139.11198	0.8
143.08522	3.3
145.06500	4.1
145.10123	32.6
147.08064	4.7
147.11647	4.6
149.05907	1.0
149.09613	2.4
149.13239	1.8
151.11189	1.1
153.12733	10.5
155.08540	3.2
157.10133	1.1
159.11644	2.2
161.09583	1.4
161.13261	2.3
163.11172	60.5
165.12735	1.0
167.10736	0.9
171.11664	1.0
173.09604	7.0
173.13216	3.3
175.07500	0.7
175.14789	0.7
181.12231	11.0
182.16667	0.7
187.14874	1.2
189.11238	1.4
191.10689	9.1
191.14328	0.9
197.13347	1.0
201.12949	1.1
203.14323	1.8
209.11713	22.0
209.13661	1.4
219.13771	2.4
221.15292	1.3
227.12743	12.1
229.12245	0.8
233.15379	1.2
247.17020	0.8
249.15053	0.9
265.14349	1.3
273.14920	0.7
283.15161	0.9
349.21558	1.0
367.22629	2.6
373.27426	1.1
381.27798	1.9
385.23624	2.7
399.21606	1.4
399.28949	1.8
455.31644	1.0
459.27505	7.5
473.25269	0.9
491.26263	100.0
492.26453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.34989	0.4
61.02920	0.5
63.02360	0.4
68.15257	0.4
68.24529	0.4
69.03416	1.8
70.83034	1.0
73.02901	0.9
78.04705	0.4
81.03432	2.7
85.02907	2.4
85.06502	0.4
87.04431	0.4
89.03912	4.4
91.05472	1.0
95.04938	0.5
97.02886	1.2
97.51694	0.5
98.21458	0.5
98.97597	0.5
103.07610	0.5
105.07069	0.6
107.08608	0.8
107.75625	0.4
109.02867	1.1
115.03905	0.6
115.43542	0.5
117.03385	16.8
122.40247	0.4
127.03905	0.6
134.03625	1.1
135.04419	0.8
137.05954	0.7
145.02853	45.1
146.03151	0.5
147.04390	0.7
149.05978	6.0
149.09593	0.5
163.03906	0.5
177.05476	100.0
179.10664	0.4
179.14304	1.6
186.05460	0.6
195.06554	1.4
197.11757	0.7
213.11227	0.5
247.95596	0.4
266.88385	0.5
274.51331	0.5
302.87042	0.4
321.09644	3.1
339.10800	5.2
362.63498	0.4
491.15146	1.6
491.20898	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.1
53.03939	6.9
55.01635	1.6
55.01873	18.6
55.05513	32.7
56.96547	2.2
57.03435	7.8
57.07082	2.0
59.05005	6.0
65.03930	2.1
67.05505	35.3
69.03423	4.2
69.07069	13.0
69.52998	2.4
69.53414	6.5
71.01373	2.3
71.04995	8.3
76.07652	1.4
77.03916	1.8
79.04788	1.4
79.05494	54.3
81.03424	22.1
81.07062	52.7
83.01347	12.9
83.04981	29.3
83.08620	19.9
85.02905	6.0
85.06536	3.6
91.05486	41.1
93.07046	65.8
95.04971	15.8
95.08613	41.2
96.31031	1.2
97.02885	5.3
97.06532	10.3
97.10175	4.4
98.21542	2.6
99.04440	4.4
99.08142	2.2
103.05422	2.3
105.07035	33.5
107.04974	16.9
107.08599	46.0
109.02905	2.0
109.06511	12.7
109.10160	15.9
111.04433	4.6
111.08093	7.0
111.11718	1.6
115.05447	1.7
117.07024	17.3
119.08585	34.3
121.06509	8.4
121.10146	25.3
123.08081	16.8
123.11703	3.1
125.05997	3.0
125.08765	1.2
125.09610	5.8
128.06189	1.8
129.06995	5.6
130.07791	4.3
131.08566	15.8
133.06424	1.4
133.10130	18.5
135.08096	7.4
135.11696	30.1
137.09621	3.3
137.13245	1.7
139.07582	1.8
143.07045	3.3
143.08571	6.0
145.06479	2.9
145.09061	2.7
145.10136	41.0
147.08058	5.3
147.11711	12.4
149.09607	3.6
149.13258	5.5
151.11143	1.9
153.09146	2.2
153.12756	11.7
155.08591	3.5
156.09267	1.4
157.10126	5.3
159.11703	9.3
161.09677	3.7
161.13286	7.4
163.11182	59.0
163.14801	2.1
167.10773	1.7
169.08698	1.2
171.11696	3.7
173.09592	9.4
173.13239	6.2
175.14844	4.3
177.16492	1.8
181.12254	13.2
183.11639	2.4
185.13326	2.7
187.14841	3.9
189.12755	2.4
189.16426	3.8
191.10695	10.5
191.14278	2.6
193.12198	2.6
195.29022	1.3
197.13303	2.1
199.11113	1.3
199.14851	3.4
201.16420	7.0
203.18044	2.5
207.13901	1.7
209.11716	22.8
209.15463	1.4
213.16260	1.9
215.17972	3.6
219.13858	1.2
219.17409	1.7
221.15378	3.3
227.12799	13.9
229.19534	1.8
233.15355	1.9
235.16878	2.5
247.16884	1.8
249.18588	2.5
265.14487	2.2
283.15579	2.6
329.24823	3.8
437.34180	4.0
455.35428	3.4
473.32574	2.9
491.26395	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95110	0.4
53.03963	0.9
55.01876	0.5
55.05516	1.5
56.28013	0.4
56.96583	0.4
57.03438	10.5
59.04992	1.0
61.02932	0.9
69.03439	3.1
69.07051	0.6
69.27807	3.8
70.06598	0.7
71.01360	0.8
71.04995	76.5
73.02923	1.8
75.04481	4.5
81.03424	1.0
81.07070	0.7
83.04987	5.4
85.02907	100.0
86.06055	0.6
87.04465	1.9
91.03945	0.8
91.05472	0.6
95.08601	0.6
97.02892	4.3
98.97587	0.7
99.04463	1.0
103.03934	1.0
105.07040	2.4
107.08569	0.5
107.18918	0.4
109.02876	1.2
109.10134	0.5
111.04434	3.5
115.03912	0.6
121.10075	0.5
124.05242	2.7
127.03884	3.7
129.05484	45.7
133.06488	1.1
137.05949	2.4
144.06517	0.6
145.04955	2.3
146.08119	1.3
147.06523	20.9
149.02362	1.1
162.07617	0.7
163.03864	0.6
163.06027	1.0
164.09167	5.0
165.09108	9.2
175.07358	0.4
177.05453	0.9
180.08635	1.0
189.05585	0.5
189.08960	0.7
231.10158	1.0
231.19754	0.4
239.85257	0.4
255.08563	0.8
255.55777	0.4
267.03116	0.4
273.09482	0.7
293.13712	1.1
308.13461	0.4
309.12070	0.5
442.33340	0.4
490.22556	1.4
497.13025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05513	23.6
57.03448	7.2
57.07073	8.9
59.04990	7.8
65.34441	4.4
67.05509	40.0
69.03419	14.1
69.07072	30.4
71.04988	42.7
71.55952	8.8
76.21483	4.6
76.56717	5.2
79.05503	39.3
81.07057	100.0
83.04971	6.9
83.08612	19.4
85.06541	9.7
87.04461	6.9
91.05472	44.0
93.07056	56.0
95.04970	7.1
95.08606	72.7
97.06526	18.8
99.08101	13.6
105.07034	65.0
107.08601	70.0
109.06531	6.6
109.10148	39.2
114.93817	4.2
117.07001	14.4
119.08604	63.4
121.10143	55.8
123.08055	6.0
123.11703	15.5
125.99546	4.6
127.07562	41.4
128.06152	5.4
129.06990	9.2
131.08600	28.0
133.10143	52.5
135.08072	8.2
135.11684	29.4
139.07619	4.7
143.08595	20.4
145.10120	48.0
147.08040	8.0
147.11707	48.7
149.09607	9.5
149.13257	20.4
153.09105	8.4
157.10103	22.2
159.11690	42.2
161.09572	11.5
161.13306	25.3
163.11214	7.6
163.14861	8.6
167.10666	7.8
169.10167	10.2
171.11702	10.3
173.13277	23.0
175.11182	11.9
175.14796	17.2
177.12718	10.8
181.12257	21.3
183.11751	8.8
185.13266	11.5
187.14877	12.3
189.16353	10.2
191.14400	4.8
195.13777	12.3
197.13356	5.2
199.14830	13.1
201.16458	6.0
203.14424	7.7
205.15918	6.3
209.15363	7.7
211.14919	6.7
213.16438	9.4
217.15929	8.7
219.13846	8.0
221.15338	12.9
223.16991	7.2
235.16881	19.0
245.15340	5.4
247.17078	7.6
249.18457	15.7
329.24820	12.2
331.26300	10.4
345.27783	6.4
377.28052	6.0
395.29462	42.4
413.30453	17.0
435.32523	21.6
453.33606	26.5
471.34869	22.1
489.31049	73.4
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	Rubiyunnanol C
Peak:m/z	Relative Intensity
53.03923	2.9
55.05515	26.2
57.03429	4.3
57.07084	2.9
65.03952	4.1
67.05172	4.5
67.05502	42.1
69.03418	6.5
69.07073	22.7
70.12997	2.5
70.13326	11.6
71.04984	3.6
78.11596	2.4
78.73466	2.8
79.05499	37.4
81.03413	3.1
81.07058	71.8
83.04986	58.1
83.08610	10.8
84.98873	2.4
85.02897	6.7
85.06514	5.3
91.05481	36.4
93.07042	67.8
95.04960	17.9
95.08611	88.5
97.06524	5.3
97.10144	3.4
105.07030	62.6
107.07883	4.3
107.08598	74.9
109.06513	15.2
109.10158	38.1
111.08106	6.4
117.07040	16.0
119.08579	74.5
121.06528	3.2
121.10136	43.4
123.08067	29.0
123.11706	10.3
128.06201	4.2
129.06987	7.0
129.09096	3.6
130.07819	2.7
131.08572	38.4
133.06462	3.6
133.10138	57.5
135.08121	5.6
135.11699	33.2
137.09604	7.7
137.13251	3.5
141.06914	2.5
142.07765	8.8
143.08559	26.5
145.10126	52.5
147.07970	5.0
147.11691	37.4
149.09612	8.0
149.13297	18.6
151.11119	3.5
153.09079	5.2
155.08540	4.8
156.09410	3.4
157.10126	26.0
159.08006	5.0
159.11697	37.0
161.09608	9.7
161.13268	28.0
163.11177	9.8
163.14795	7.0
167.10667	7.4
169.08585	9.2
169.10110	7.0
171.11685	18.3
173.13248	28.8
175.11160	10.4
175.14828	13.2
177.12720	4.7
179.10632	6.2
181.10115	2.8
181.12213	7.6
183.10254	3.3
183.11754	8.8
185.09659	2.7
185.13280	17.5
187.14844	22.3
189.12726	4.7
189.16339	13.4
191.14320	4.8
193.12231	5.5
195.13727	2.8
197.13231	9.9
199.14864	25.1
201.12823	2.9
201.16319	14.1
203.14294	8.5
203.17960	6.4
205.12277	3.2
205.15840	4.6
207.13739	5.9
209.15219	5.9
211.14767	9.2
213.16397	16.1
215.14243	7.0
215.17949	10.4
217.12152	2.8
217.15889	17.7
217.17648	3.0
219.13737	5.0
219.17387	4.4
221.15367	8.2
225.16484	3.0
227.14502	3.3
227.18002	4.5
229.15857	4.5
231.17445	7.6
233.15302	7.9
235.16972	8.5
245.18945	3.8
247.17001	5.6
249.18625	8.0
251.18121	3.9
255.21262	3.7
261.18546	2.8
278.14420	2.5
311.23535	4.1
327.23053	4.1
329.24817	15.9
347.25839	3.7
351.18518	2.7
353.24619	2.8
357.28119	3.9
369.32126	2.8
379.26218	7.0
395.29379	4.1
397.27344	14.0
423.32458	8.8
435.27829	2.7
435.32785	27.1
441.33621	6.6
441.46487	2.9
453.33752	43.4
471.34732	100.0
489.35739	5.5
512.68530	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	489.3575
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.12429	5.5
53.07047	4.9
55.05495	16.0
60.03938	6.0
61.90608	5.2
66.04688	5.1
67.05491	24.7
69.07056	12.9
70.59135	12.4
77.01472	5.0
79.05502	30.1
81.07055	56.8
81.71130	4.9
83.04988	11.7
83.08611	8.0
85.02888	5.9
91.05482	35.7
93.07046	59.8
95.08611	87.5
97.06512	7.4
97.10155	11.7
105.07032	66.0
107.08595	81.7
109.10155	43.0
111.08091	9.7
117.07009	18.1
119.08582	80.1
121.06522	7.0
121.10146	57.3
123.11674	14.8
125.09646	13.4
131.08568	36.2
133.10133	50.2
135.04424	6.3
135.08170	8.7
135.11678	28.1
143.08563	9.8
145.10117	66.9
147.11697	51.6
149.02309	11.0
149.13274	20.1
157.10100	15.2
159.11682	40.7
161.13240	23.3
163.11157	10.7
163.14821	15.8
171.11705	11.9
173.13287	50.8
175.11284	7.5
175.14839	30.2
177.16393	35.6
185.13235	14.5
187.14825	54.4
189.16428	32.3
191.14285	39.6
191.17953	11.0
197.13499	5.7
199.14787	11.7
201.16344	30.4
203.14291	20.6
203.17934	60.5
205.15883	100.0
207.17548	6.5
213.16318	15.3
215.17995	9.6
217.16006	7.3
221.15355	14.0
223.16997	8.6
227.17827	6.4
247.16962	9.7
249.18523	15.8
314.87115	5.7
371.77362	5.9
377.91229	5.8
407.33273	34.1
425.34082	12.3
435.32361	17.3
443.35431	8.7
453.33783	35.8
460.18259	6.2
473.14346	12.2
489.28378	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	489.3573
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.55397	1.4
53.03937	2.4
55.01866	3.4
55.05502	14.8
55.61540	1.6
57.03419	3.2
57.07064	3.6
58.23729	1.7
58.98213	1.5
59.04999	10.4
65.03931	2.0
67.05502	46.4
68.29852	1.5
69.03407	5.7
69.07065	13.2
69.87088	6.4
71.04989	21.0
78.03479	1.5
78.11051	1.3
79.05491	28.4
81.03388	1.4
81.07051	60.6
83.04958	4.6
83.08598	6.3
85.06532	5.2
87.04458	6.8
91.05479	21.1
93.07043	41.9
93.80457	1.3
94.13572	1.4
95.04961	3.9
95.08607	50.9
97.06541	7.4
97.10168	3.8
98.20772	3.2
99.08100	3.6
101.06034	1.4
105.07028	37.2
105.30897	1.8
107.08587	42.5
109.06506	11.3
109.10146	34.1
111.08088	3.6
115.07561	3.1
117.07027	12.9
119.08581	48.2
120.07854	1.6
121.06499	3.5
121.10143	27.4
123.08031	4.4
123.11703	7.0
125.09611	3.1
126.57693	2.0
127.07539	13.7
129.07001	4.5
129.09161	2.3
131.08562	23.0
133.10126	34.1
135.08060	5.3
135.11687	16.3
137.13245	2.4
139.11160	2.7
141.06982	3.1
142.07756	1.9
143.08557	12.1
143.10692	4.4
145.08682	8.0
145.10092	24.0
147.08029	3.3
147.11681	27.3
149.09636	2.3
149.13232	9.7
153.09064	4.4
155.08601	3.4
157.10162	10.6
159.08047	3.1
159.11688	26.4
161.09641	5.3
161.13277	12.3
163.11145	4.9
163.14830	3.8
165.09085	1.9
167.10689	4.4
169.10181	3.1
171.11646	8.8
173.11739	4.8
173.13263	16.3
174.02490	2.0
175.11185	4.4
175.14810	7.8
177.12758	4.6
179.10686	3.2
181.12141	8.0
183.11700	4.7
185.13246	9.9
187.11089	1.9
187.14842	7.1
189.12726	2.8
189.16338	2.0
191.14380	2.7
193.12093	2.4
193.15857	1.9
195.11621	1.7
195.13791	4.1
197.13280	4.6
199.14830	7.3
201.12675	2.6
201.16397	3.8
203.18040	2.1
205.15895	3.8
207.13737	2.6
209.13449	1.8
209.15363	5.4
211.14864	3.5
213.14697	2.9
213.16446	5.2
215.14346	2.2
215.17917	2.2
217.15895	4.1
219.13712	2.6
221.13373	1.6
221.15393	6.2
223.14777	3.2
223.16847	2.4
225.16365	2.3
227.17941	3.0
231.17531	3.0
233.15291	2.3
235.16861	8.5
237.18542	2.4
239.17967	2.6
247.16902	3.2
249.18575	6.2
255.21098	2.3
259.20593	2.1
261.18481	1.7
261.22235	2.7
271.20505	2.4
273.18549	3.2
285.22189	1.8
292.82339	1.8
311.94437	1.6
329.24789	6.5
331.26270	6.6
345.28033	5.8
369.27814	2.2
377.28549	1.9
379.29959	6.2
383.29367	3.0
395.21393	1.7
395.29477	11.4
397.31119	9.4
413.30411	6.8
415.32278	3.1
417.31177	3.3
423.32761	3.3
435.32562	7.2
441.33679	2.0
453.33286	12.3
471.34686	21.3
486.05875	1.7
489.35730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01850	3.7
55.05508	14.6
57.03429	4.2
57.07061	4.4
59.04968	3.4
63.61536	2.4
67.05500	39.0
69.03412	7.6
69.07072	21.4
69.69907	2.4
71.04984	20.4
71.26301	4.7
75.45703	2.6
79.05488	31.3
79.77098	2.7
81.03410	3.0
81.06593	3.7
81.07056	63.1
83.04971	24.2
83.08624	12.1
85.02882	4.5
85.06529	8.8
87.04463	4.0
91.05475	27.1
93.06491	4.8
93.07043	60.7
95.04966	6.0
95.08607	100.0
97.06512	9.7
99.08103	3.3
105.07030	48.7
107.08593	52.9
109.06502	6.9
109.10163	34.0
111.08082	5.9
113.05965	3.0
117.07012	9.3
119.08583	51.3
121.06478	3.5
121.09329	3.9
121.10140	44.5
123.08035	7.2
123.11700	7.8
125.09584	4.8
127.07552	10.7
129.06981	7.8
131.08583	27.7
133.10124	37.8
135.08022	10.1
135.11691	29.6
136.93015	2.8
137.09610	3.3
137.13280	3.7
141.07069	2.3
141.09125	6.4
143.08572	13.6
145.10120	42.3
147.08025	5.6
147.11679	41.8
149.09579	4.7
149.13239	25.0
152.95184	2.9
153.09068	7.2
155.08498	4.9
157.10143	18.8
159.10316	3.4
159.11685	56.5
161.09599	10.5
161.13272	23.8
163.11169	8.7
163.14813	6.5
165.09045	4.0
165.12692	4.2
167.10640	4.6
169.10121	6.2
171.11682	11.8
173.09563	3.4
173.13237	20.9
175.11162	8.0
175.14865	13.0
177.12727	11.6
179.10609	4.7
181.12161	6.2
183.11653	7.0
185.13231	15.5
187.14752	13.3
189.12726	3.7
189.16322	9.8
191.14267	6.7
193.16020	3.0
195.13800	4.1
197.13182	5.2
199.14809	15.1
201.16341	8.8
203.14349	7.1
203.17908	5.8
205.12135	3.4
205.15807	7.3
207.13828	3.9
209.15280	6.5
211.14897	5.0
213.16345	4.6
215.18047	3.0
217.15825	7.4
217.98331	2.5
219.17436	5.0
221.15378	9.6
223.16879	6.3
225.16464	4.6
227.17828	4.0
229.15854	3.8
229.19725	2.8
231.17442	5.2
233.15466	5.9
235.16898	13.8
247.16837	7.1
249.18436	7.0
252.19189	2.8
261.18512	2.8
275.19897	2.5
329.24582	8.2
331.26300	7.6
347.26083	2.8
355.26456	3.6
356.26556	4.6
373.27728	3.0
374.27478	3.1
377.28497	5.2
383.29364	5.5
395.29419	33.6
413.30484	24.4
423.32318	2.8
435.32706	14.7
453.33621	17.9
471.34671	45.2
475.20239	3.9
489.21475	2.9
489.36136	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	489.3576
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03947	5.1
55.01885	2.7
55.05513	21.9
62.55547	2.3
65.03930	3.1
67.05513	49.8
69.07078	15.2
71.05019	3.4
72.14598	2.8
73.02953	2.6
79.05500	38.9
79.05930	4.9
81.07066	67.7
83.04987	7.3
83.08617	8.0
91.05492	45.9
93.07049	82.0
95.04959	3.6
95.08614	100.0
97.06524	5.2
97.10166	4.1
98.21523	7.4
98.23203	2.7
101.02408	2.8
105.07037	66.4
107.08605	82.2
109.06516	9.7
109.10162	51.2
111.08086	7.9
117.07052	19.4
119.08590	70.5
121.06527	6.5
121.10151	44.1
122.14127	2.4
123.08115	8.6
123.11734	16.7
125.06037	4.8
125.09641	5.2
128.06238	3.1
129.06985	10.4
131.08586	37.3
133.10132	51.8
134.13248	2.4
135.08081	6.0
135.11697	23.8
137.09648	3.9
137.13290	2.8
140.95538	2.9
141.06966	2.9
142.07706	2.8
143.08543	18.1
143.54434	3.2
144.09389	3.6
145.08226	2.3
145.10127	62.4
147.08022	5.1
147.11688	37.4
149.09636	3.3
149.13286	13.3
151.11223	3.4
155.08524	5.7
157.10150	24.9
159.08083	3.5
159.11707	45.9
161.09627	6.4
161.13266	24.4
163.07491	2.5
163.11198	5.7
163.14836	3.2
165.09140	4.5
167.07036	2.9
167.10658	4.5
169.08655	3.7
169.10130	6.6
171.11717	17.2
173.09639	3.1
173.13275	27.1
175.11223	5.8
175.14828	10.9
177.09229	3.4
177.12704	4.5
177.16335	3.1
179.10609	3.0
181.10239	3.7
181.12231	3.8
183.10202	3.8
183.11734	9.5
185.13300	14.2
187.11232	3.9
187.14861	18.7
189.12749	6.7
189.16388	13.3
197.13274	9.6
199.11232	4.0
199.14832	14.4
201.12775	3.9
201.16393	22.0
203.14293	3.3
203.17937	8.5
205.12317	5.7
205.15826	3.7
207.11746	2.9
207.13829	4.9
209.13222	4.7
211.14882	6.1
213.12857	3.0
213.16458	7.3
215.14375	5.5
215.17970	9.3
217.12260	5.0
217.15829	3.6
217.19528	3.7
219.13841	10.0
219.17413	4.4
221.13297	2.9
221.15373	4.6
223.14871	4.8
225.16423	3.9
227.17749	3.4
229.15852	4.3
229.19400	3.1
229.30792	3.4
231.17542	3.1
233.15437	9.6
233.19025	3.7
239.17940	3.3
247.17003	4.5
253.19630	2.6
259.16971	3.4
267.17441	2.4
267.21133	3.5
285.18576	3.6
322.97723	2.6
327.23212	9.2
345.24170	6.4
353.25015	3.3
415.28308	4.0
435.32388	13.5
453.33560	22.2
471.34488	14.4
489.35751	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	489.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01872	3.6
55.05516	24.9
56.96568	3.1
57.03438	3.5
57.07076	4.1
59.04986	3.2
65.03942	2.6
67.05507	32.7
69.03423	14.0
69.07066	18.1
71.05000	21.6
79.05499	33.5
81.07059	58.6
83.04979	54.4
83.08611	12.0
85.02881	4.9
85.06535	6.2
91.05476	31.9
93.07045	66.2
95.04963	28.7
95.08009	3.0
95.08608	60.8
97.06530	10.1
97.10167	6.0
98.21528	4.9
99.04448	27.0
99.08060	3.0
105.07033	53.7
107.04954	4.1
107.08602	66.6
109.06519	17.0
109.10160	40.3
111.08060	5.0
113.00076	2.5
117.06979	13.0
119.08584	57.7
121.06531	3.9
121.10149	100.0
123.08067	30.2
123.11728	22.4
124.20061	2.1
125.06017	2.7
125.09666	5.2
129.07013	5.1
131.08565	27.3
133.06506	2.5
133.10135	53.2
135.08051	9.2
135.11700	51.8
137.09631	4.6
137.13263	3.6
139.07542	2.4
139.11206	2.2
141.09122	3.2
142.07803	4.4
143.07622	2.3
143.08601	14.8
145.10127	33.1
147.08092	5.4
147.11697	39.8
149.09639	9.0
149.13275	25.0
151.11226	3.3
153.09096	3.4
155.08604	6.4
157.10164	15.6
159.08076	4.3
159.11688	34.9
161.09669	8.1
161.13301	21.8
163.11197	9.1
163.14830	9.8
165.09091	4.5
167.10651	5.2
169.08595	12.3
169.10130	7.2
171.11685	19.7
173.09618	4.2
173.13278	23.4
175.11209	7.9
175.14821	18.9
177.09161	2.9
177.12741	6.9
177.16469	4.2
179.10696	2.6
181.10233	2.2
181.12262	5.8
183.10210	3.8
183.11716	4.8
185.13327	10.5
187.11197	4.1
187.14784	16.7
189.12791	6.9
189.16406	9.2
191.14253	4.9
191.17969	2.7
193.12216	4.2
195.11789	3.2
195.13797	4.9
197.13307	9.2
199.14832	13.6
201.12741	3.9
201.16379	10.9
203.14316	7.4
203.17908	3.0
205.15849	4.5
207.13829	6.5
207.17432	3.1
209.13362	2.7
209.15244	4.7
211.14868	4.6
213.16423	7.2
215.14397	6.4
215.17943	4.7
217.15866	11.4
219.13791	6.4
219.17320	3.3
221.15387	9.3
223.14891	2.5
223.16995	6.5
225.16219	2.7
227.18005	2.6
228.18484	2.6
229.15968	5.1
229.30470	2.8
231.17494	7.2
233.15381	6.2
235.16927	12.7
237.16272	2.7
247.17001	7.0
249.18492	6.3
250.39188	2.3
273.18521	3.1
286.71844	2.5
293.22995	2.2
317.24945	2.6
329.24707	3.2
339.26761	3.2
355.26306	3.3
357.27866	31.8
358.30179	2.5
375.28909	20.2
379.26236	4.6
397.27173	4.3
417.31415	4.5
435.32819	13.2
453.33728	31.5
471.34735	66.1
489.35220	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	489.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88362	0.2
69.07066	0.5
70.06587	1.1
70.74184	0.5
72.59847	0.2
80.11900	0.2
81.07054	0.8
84.04507	0.3
84.08118	0.3
85.02863	0.3
86.09692	0.6
87.69382	0.2
93.07047	0.5
95.08610	0.6
97.06492	0.3
97.38122	0.2
99.08117	0.2
105.07035	0.2
107.08566	0.4
109.10172	0.2
120.08147	0.2
133.10220	0.3
137.05869	0.2
153.01834	0.5
163.03960	0.4
177.05511	0.2
285.03940	0.3
313.03418	0.3
317.08398	0.4
335.09521	0.4
337.06958	0.3
357.18823	9.4
489.23059	100.0
490.23175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
55.05497	3.7
57.03437	3.1
60.87170	1.3
61.02917	2.3
65.92690	1.2
67.05494	5.3
69.03416	8.6
69.07066	9.1
70.06585	1.7
71.04995	2.0
72.08123	1.5
73.02921	13.4
79.05481	6.5
81.03401	2.2
81.07055	11.9
83.08617	4.4
85.02905	14.4
86.09706	10.0
86.10155	2.1
87.10025	1.7
91.05466	4.1
93.07053	11.5
95.04978	2.3
95.08604	63.3
97.02877	8.9
97.10161	2.4
99.08067	3.9
99.92088	1.4
105.07029	5.1
107.08597	25.3
109.02905	2.0
109.06560	1.6
109.10152	5.8
115.03927	3.1
117.06998	1.6
117.73534	1.4
119.08573	7.8
121.06523	1.4
121.10143	46.4
123.08126	1.7
123.11697	22.1
127.03926	4.0
129.06979	1.9
131.08510	1.6
133.04942	5.3
133.10121	5.4
135.11700	10.7
145.04964	3.3
145.10155	3.3
147.04396	1.5
147.11684	3.3
149.13243	4.9
151.04005	1.7
157.06483	1.3
157.10072	2.6
159.11708	3.9
161.09628	1.6
161.13228	1.5
163.03941	1.6
163.83279	1.5
171.11662	1.7
173.13161	2.2
175.14806	4.9
177.05408	2.2
177.16380	100.0
184.21046	1.6
185.13225	1.4
195.17441	4.1
201.16412	1.9
207.17511	3.7
219.17416	2.7
223.38377	1.4
237.18388	2.0
273.18427	2.0
275.15894	1.6
277.18222	2.3
285.18484	1.4
287.05585	4.1
303.19455	5.1
309.20496	2.2
321.20648	5.6
339.21738	5.2
357.22852	8.7
489.11560	5.9
489.22958	98.3
490.23355	1.9
491.60355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93580	3.1
53.03941	8.7
55.05516	39.4
56.96585	3.3
57.03436	7.2
59.04713	3.7
59.05001	67.5
61.02918	6.3
68.81449	3.5
69.03429	42.3
69.07062	5.4
71.04964	5.6
71.55549	6.8
72.08167	18.5
72.32581	3.4
73.02902	10.2
79.05484	5.1
81.03428	26.0
81.07053	6.3
83.04983	100.0
84.04467	4.8
85.02907	65.5
86.09708	26.8
87.04510	3.6
91.05476	13.8
91.51952	3.0
93.07046	6.1
95.04943	3.9
97.02298	5.5
97.02896	84.1
98.97585	13.2
99.04449	13.2
101.05379	5.5
101.06015	67.7
103.05457	6.1
107.04925	9.7
109.02880	30.7
110.97502	3.4
115.03907	5.1
119.04912	6.6
119.07060	23.3
121.06471	5.8
127.03916	54.4
128.98607	3.2
129.32625	3.5
133.05014	2.9
135.04401	13.6
143.00171	3.4
145.04945	52.7
147.04411	9.5
149.05948	9.1
158.99689	6.8
163.02686	4.5
163.03934	26.6
177.00745	4.3
177.05489	5.2
187.06001	11.4
191.03363	15.3
209.04462	26.6
209.08098	6.3
215.13875	7.0
219.01845	7.1
227.05638	4.2
227.09221	14.8
237.02893	6.5
243.13333	4.5
245.10222	52.0
247.12906	6.2
280.10831	5.6
280.60849	6.3
283.05087	3.2
295.11203	5.3
309.17020	3.4
324.08691	3.4
363.97894	3.8
367.10452	5.7
427.12592	7.6
489.13458	5.7
489.18634	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93580	3.1
53.03941	8.7
55.05516	39.4
56.96585	3.3
57.03436	7.2
59.04713	3.7
59.05001	67.5
61.02918	6.3
68.81449	3.5
69.03429	42.3
69.07062	5.4
71.04964	5.6
71.55549	6.8
72.08167	18.5
72.32581	3.4
73.02902	10.2
79.05484	5.1
81.03428	26.0
81.07053	6.3
83.04983	100.0
84.04467	4.8
85.02907	65.5
86.09708	26.8
87.04510	3.6
91.05476	13.8
91.51952	3.0
93.07046	6.1
95.04943	3.9
97.02298	5.5
97.02896	84.1
98.97585	13.2
99.04449	13.2
101.05379	5.5
101.06015	67.7
103.05457	6.1
107.04925	9.7
109.02880	30.7
110.97502	3.4
115.03907	5.1
119.04912	6.6
119.07060	23.3
121.06471	5.8
127.03916	54.4
128.98607	3.2
129.32625	3.5
133.05014	2.9
135.04401	13.6
143.00171	3.4
145.04945	52.7
147.04411	9.5
149.05948	9.1
158.99689	6.8
163.02686	4.5
163.03934	26.6
177.00745	4.3
177.05489	5.2
187.06001	11.4
191.03363	15.3
209.04462	26.6
209.08098	6.3
215.13875	7.0
219.01845	7.1
227.05638	4.2
227.09221	14.8
237.02893	6.5
243.13333	4.5
245.10222	52.0
247.12906	6.2
280.10831	5.6
280.60849	6.3
283.05087	3.2
295.11203	5.3
309.17020	3.4
324.08691	3.4
363.97894	3.8
367.10452	5.7
427.12592	7.6
489.13458	5.7
489.18634	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.342
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03945	6.8
55.01867	9.2
55.05508	19.9
56.96558	13.1
57.03439	5.8
57.07071	3.7
59.76900	3.4
61.02925	9.7
65.03935	4.9
67.05507	45.6
69.03435	9.3
69.07078	23.9
71.05006	7.4
71.55971	4.3
73.02914	7.6
79.05499	42.1
79.54733	3.2
80.35954	3.2
81.03425	9.2
81.07063	80.6
83.04988	10.9
83.08614	14.4
85.02919	12.5
85.06553	4.4
91.03960	7.8
91.05478	47.3
93.07053	73.1
95.04978	18.9
95.08066	5.6
95.08617	77.9
97.02895	10.4
97.06535	12.1
97.10197	5.4
98.97604	5.8
99.04473	4.8
99.08099	10.9
103.05507	4.3
105.07029	77.8
107.08598	99.8
108.19975	3.4
109.02876	6.3
109.06525	14.3
109.10160	52.2
111.08099	7.1
113.06033	6.2
117.07018	20.1
119.08585	100.0
121.06458	6.4
121.10145	73.3
123.08044	15.8
123.11729	12.8
125.06012	5.3
125.09637	6.3
127.03874	4.9
127.07527	5.9
128.06180	5.8
129.07028	11.0
130.07800	7.6
131.08560	48.2
133.06650	6.0
133.10132	61.8
135.08076	6.2
135.11696	36.2
137.13284	8.5
139.07530	8.5
141.07001	5.4
142.07753	6.3
143.08540	27.3
145.10124	65.4
147.08075	8.0
147.11685	52.2
149.09647	6.4
149.13243	36.8
155.08603	11.3
156.09305	6.6
157.10141	32.9
159.11694	51.9
161.09653	7.4
161.13261	30.5
163.07544	3.9
163.11130	7.6
163.14844	14.8
167.10725	5.3
169.08772	3.9
169.10146	14.9
171.03418	3.7
171.11717	23.7
173.13287	35.7
175.11208	12.1
175.14832	22.7
177.12727	6.1
179.14262	4.1
183.11700	12.8
185.13268	29.2
187.11235	5.5
187.14830	44.1
189.12733	5.2
189.16431	15.1
193.12256	7.4
193.15990	5.2
197.13254	9.1
199.14784	29.8
201.12747	6.3
201.16418	40.1
203.14293	20.8
203.18002	5.8
205.15869	9.4
209.13239	5.6
211.14873	6.7
213.12730	5.2
213.16397	20.3
215.14346	6.4
215.17899	8.1
217.07686	4.1
217.15886	13.8
219.13893	7.6
219.17415	7.2
221.15405	9.5
225.12813	4.3
225.16290	6.8
227.18007	9.9
229.07338	3.6
229.16014	8.2
231.13835	7.2
231.17421	7.8
233.15370	12.7
235.16937	9.0
239.17981	5.5
245.15393	7.7
247.16980	8.1
249.14929	13.6
249.18486	5.0
257.07120	9.4
259.16995	5.3
269.10287	5.6
273.18655	4.0
285.18378	4.0
299.20105	3.9
315.23145	3.8
323.10675	6.2
331.15845	7.5
349.16833	12.9
349.28876	6.5
367.17935	7.6
367.30051	9.5
387.30563	5.2
395.29654	15.9
405.31488	20.3
413.30496	4.3
421.31082	5.8
423.32770	22.2
433.31293	18.2
451.32452	29.0
469.33478	30.4
487.29974	10.8
487.34604	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	487.3419
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03947	6.8
53.87125	3.6
55.01863	6.6
55.05512	34.7
63.04910	3.9
67.05500	41.5
69.03412	12.1
69.07050	16.7
69.44109	27.8
74.78151	4.0
78.53020	3.9
79.05490	39.9
81.03421	4.5
81.07059	64.6
83.04983	100.0
83.08614	5.8
83.99741	3.8
85.06536	3.9
91.05482	37.0
93.07048	62.8
95.04960	42.7
95.08614	66.1
97.06552	8.4
98.21530	7.6
105.07031	79.4
107.08601	71.9
109.06519	26.5
109.10166	37.9
111.08089	6.5
117.07032	17.3
119.08588	70.3
121.06495	11.1
121.10143	40.9
123.08069	21.6
123.11713	8.6
125.05965	5.0
125.09647	8.2
128.06261	7.5
129.07002	18.2
131.08553	43.6
133.10121	45.3
135.07968	8.6
135.11691	35.9
137.09596	5.3
142.07809	10.2
143.08571	30.4
144.09302	6.4
145.10130	55.1
147.08069	7.4
147.11731	28.6
149.09598	10.2
149.13261	14.6
155.08582	15.5
156.09378	8.3
157.10133	38.4
159.08006	6.0
159.11694	34.8
161.09656	9.3
161.13297	24.8
163.11217	9.3
167.07025	7.1
169.08719	7.6
169.10133	14.1
171.11720	27.4
173.09622	7.6
173.13251	30.1
175.11241	8.7
175.14819	11.1
177.12790	9.8
181.10138	5.4
183.11652	13.1
185.09641	6.1
185.13260	18.7
185.53267	4.4
187.11095	5.5
187.14798	12.6
189.12775	4.5
189.16391	9.5
195.11642	8.6
197.13306	15.4
199.14873	20.7
201.12843	5.4
201.16364	11.0
203.14401	9.2
203.17982	5.6
209.13336	8.2
211.14767	8.6
213.16393	11.0
215.14381	9.3
215.18060	8.4
217.15860	7.7
219.13831	8.1
221.15353	5.4
223.14896	6.8
231.13876	7.0
233.15321	8.5
237.16356	5.1
245.15327	6.1
327.23151	7.3
331.30151	4.5
345.24026	5.2
353.24832	6.9
391.25882	4.3
433.30936	16.0
439.31708	5.6
451.32095	26.7
469.33154	98.4
487.34451	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	487.3421
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.01868	4.3
55.05508	12.6
57.03432	3.0
57.07082	5.4
57.87822	3.1
66.44814	2.6
67.05515	29.8
69.03419	9.9
69.07063	11.1
69.48819	20.7
71.04992	28.9
74.56996	2.9
79.05510	22.3
81.07063	70.0
83.04974	18.1
83.08624	4.5
85.02954	2.8
85.06527	10.8
91.05492	28.6
93.07043	52.2
94.90065	2.5
95.04945	6.6
95.08613	100.0
97.06518	6.0
97.10220	4.2
101.02371	2.9
105.07043	58.1
107.08593	54.4
109.06535	6.3
109.10159	18.8
111.08065	3.3
117.07014	14.3
119.08598	61.1
120.22830	2.7
121.06504	6.0
121.10166	35.0
123.08050	8.3
123.11701	8.9
125.09604	4.8
127.07561	10.5
129.06993	7.0
131.08583	33.2
133.10158	43.5
135.07990	5.0
135.11703	24.8
141.07005	3.3
141.09074	5.6
142.07805	4.5
143.08557	21.9
144.09323	4.3
145.10135	52.5
147.08012	4.2
147.11690	38.4
149.09653	5.2
149.13278	16.1
156.09325	3.2
157.10129	28.1
159.11719	70.1
159.13039	3.7
161.09607	8.0
161.13274	26.3
163.11139	8.5
163.14810	6.4
165.09055	3.9
169.10159	7.9
171.11697	13.1
173.09665	4.6
173.13272	28.5
175.11238	10.5
175.14882	15.2
177.09119	3.4
177.12779	11.5
179.10674	5.7
181.12231	4.9
183.11748	7.5
185.13297	15.9
187.11272	3.5
187.14827	16.6
189.12769	6.1
189.16411	7.2
191.14331	3.2
193.12253	5.8
195.11670	4.2
197.13315	6.6
199.14833	16.1
201.12810	4.9
201.16385	7.0
203.14357	5.4
211.14873	6.5
213.16472	6.9
215.14351	4.6
215.18011	5.5
217.15857	3.8
219.13823	5.8
221.15367	9.8
225.16298	3.7
231.17517	3.7
233.15395	20.7
235.17105	4.5
245.15305	5.2
247.16966	8.7
289.21628	3.1
327.23383	8.0
329.24814	6.3
345.24176	5.8
353.24713	3.1
371.25873	4.5
375.26822	7.6
389.27020	3.5
393.27917	30.4
411.28897	37.9
429.29904	7.2
433.30945	6.8
441.33670	8.2
451.31979	19.4
469.33121	29.9
487.27304	5.2
487.34207	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	487.2149
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
53.26174	0.6
54.22659	0.4
66.24633	0.4
70.81223	0.9
70.81540	0.4
85.02900	0.6
85.85677	0.4
86.09658	0.4
125.30549	0.4
125.90594	0.4
134.88498	0.4
139.50299	0.4
185.04620	0.4
325.16348	2.2
361.02231	0.5
409.75034	0.5
487.21500	100.0
488.21906	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.215
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05539	0.2
69.48044	0.6
69.48452	1.1
73.34614	0.2
91.60246	0.2
91.60815	0.2
98.21480	0.4
147.04417	0.4
151.62491	0.3
160.75914	0.2
184.16861	0.3
185.04227	0.4
203.05336	0.8
259.07922	0.5
260.10300	0.3
294.14609	0.3
325.16150	1.4
372.88687	0.3
487.21500	100.0
488.21786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3419
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03939	6.7
55.01873	6.4
55.05523	15.9
57.03444	3.3
58.08395	2.2
59.56414	2.0
65.03938	3.1
67.05507	45.8
68.78770	2.8
68.96664	2.3
69.03422	5.6
69.07079	12.6
69.18124	7.9
69.18533	17.3
69.87712	2.4
70.98569	2.4
71.04972	4.4
72.11903	2.6
79.05495	66.4
81.07056	100.0
83.04988	19.8
83.08625	5.5
85.02879	6.1
85.06552	6.2
91.05481	42.8
93.06490	5.0
93.07050	67.9
95.04964	15.2
95.08607	82.1
97.06529	15.9
97.10116	3.1
98.21539	4.8
103.05472	2.7
105.07032	71.1
107.08595	75.8
109.06527	20.0
109.10165	35.3
111.08090	6.0
111.11840	2.5
117.07035	11.1
119.08587	71.5
121.06511	9.5
121.10152	43.5
123.08051	18.2
123.11723	12.0
125.06001	4.1
125.09631	6.5
127.07552	20.7
128.06215	4.3
129.07039	12.8
130.07747	4.8
131.08560	41.7
133.06439	4.2
133.10132	49.0
135.08060	6.7
135.11708	16.9
137.09540	2.7
137.22633	2.3
142.07820	9.3
143.08559	33.8
144.09346	3.1
145.10124	50.1
147.08038	5.7
147.11691	27.6
149.09622	9.4
149.13277	12.9
151.07530	3.3
153.09161	5.4
155.08545	10.5
156.09396	4.3
157.10139	34.2
159.08017	3.6
159.11694	46.2
161.09619	13.3
161.13268	27.9
163.03885	4.0
163.07506	3.9
163.14787	6.6
165.09135	5.6
167.07037	7.3
167.08582	5.4
167.10612	3.9
169.08698	5.8
169.10133	11.0
171.11713	21.0
173.09665	3.3
173.13286	27.4
175.11172	9.8
175.14828	15.7
177.09132	3.6
177.12762	5.9
179.10626	7.2
181.10161	3.7
181.12123	4.2
183.11700	14.7
185.13281	23.7
187.11197	5.4
187.14857	17.4
189.12737	5.8
189.16389	7.8
191.10577	3.7
191.14307	6.0
193.12077	5.4
195.11728	5.7
197.13266	16.2
199.11179	3.7
199.14769	26.8
201.12802	6.6
201.16393	10.9
203.14320	8.3
203.17834	3.1
204.20439	2.7
205.12129	5.6
207.11760	3.5
207.13718	4.3
209.13330	5.7
211.14748	11.9
213.12721	4.0
213.16344	12.8
215.14253	8.4
215.18013	4.8
217.12280	5.6
217.15889	9.0
219.13820	8.3
221.13414	3.7
221.15204	11.8
223.14772	4.4
225.16394	8.0
227.17897	3.6
229.15933	5.8
231.13777	6.5
231.17386	4.6
233.15347	12.8
235.16881	4.8
237.16513	3.2
239.17899	2.9
243.17334	2.5
245.15337	5.0
247.16957	9.3
253.19568	3.5
259.16959	5.0
267.09192	2.4
267.21280	3.4
271.17014	3.7
272.06644	3.7
273.18442	3.0
287.20035	3.8
309.22141	4.2
311.23532	3.9
327.23230	20.7
329.24667	9.4
343.96106	2.5
345.24243	8.6
374.15631	3.2
379.26434	2.8
393.27844	4.9
397.27512	4.7
407.98080	3.1
411.28882	5.7
415.28909	5.0
433.31049	18.3
439.31659	3.9
444.66876	3.3
451.32150	29.7
469.33340	26.9
487.34235	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	487.2151
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
53.73489	0.2
56.20099	0.2
56.96569	0.2
60.15392	0.2
61.68926	0.2
63.38171	0.2
65.93649	0.2
67.05489	0.2
69.03415	0.5
70.20909	0.8
74.32304	0.2
79.05493	0.3
81.07054	0.5
86.09695	0.6
90.57687	0.2
91.05482	0.6
93.07013	0.7
95.04939	0.2
95.08634	0.4
97.02888	0.4
97.06507	0.4
98.21538	0.2
98.97570	0.6
104.18719	0.2
105.07040	1.1
107.08582	0.7
109.06523	0.2
109.10184	0.3
111.04498	0.2
115.03918	0.5
117.07007	0.3
117.14019	0.2
119.08590	0.5
121.06516	0.3
121.10115	0.4
129.07097	0.3
130.58769	0.2
131.08542	0.4
133.10136	0.5
135.08081	0.3
135.11708	0.2
141.06989	0.3
142.07683	0.2
143.08607	0.6
145.05061	0.2
145.06393	0.2
145.10138	0.8
147.04416	0.4
147.11691	0.4
155.08528	0.4
157.10144	0.5
159.08107	0.2
159.11673	0.8
161.09587	0.4
163.03911	0.8
163.11169	0.2
169.10071	0.3
171.11691	0.7
173.13306	0.4
177.12708	0.2
182.10912	0.3
183.11676	0.9
185.13290	0.5
187.11238	0.3
189.12784	0.2
195.11743	0.3
197.13326	0.4
201.12749	0.6
205.12244	0.3
208.09671	0.2
209.13226	0.3
215.14351	0.4
219.02007	0.3
253.11067	0.2
260.09952	0.5
275.07547	0.3
279.09674	0.3
283.12277	0.7
287.19662	0.2
295.05750	0.3
333.07913	5.6
335.09491	2.3
355.17337	0.7
403.26178	0.7
415.26401	0.3
421.27325	0.6
427.16412	1.0
433.27429	0.5
439.28552	0.6
445.17346	0.4
451.28415	0.6
455.19852	0.4
469.29221	0.6
487.21454	100.0
488.21924	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1942
Annotation	Rutaevin
Peak:m/z	Relative Intensity
55.05507	0.8
56.96549	1.1
67.05502	1.1
69.03414	0.9
69.34289	5.3
69.61242	0.7
71.04983	0.7
79.05489	1.6
79.22416	0.7
81.03419	0.7
81.07045	2.0
83.04974	1.1
85.02908	1.8
85.06505	0.7
86.09692	0.9
88.50188	0.6
91.05461	1.6
93.07051	1.7
95.04999	0.7
95.08623	1.8
97.02898	1.5
97.06535	4.2
98.97584	2.4
105.07038	1.7
107.08588	2.2
109.10122	1.0
111.04490	0.7
112.99122	0.7
119.08607	1.3
121.10136	1.4
123.08055	0.9
131.00191	1.4
131.08601	1.3
133.10133	2.5
135.04330	0.7
139.03995	0.8
143.01906	0.8
145.10120	0.9
147.04515	0.7
147.11652	1.2
158.99689	1.2
159.11708	0.8
163.03880	0.7
167.07144	0.8
175.14778	1.2
210.99303	1.1
219.01845	0.9
235.82230	0.7
239.14157	0.7
246.16299	0.7
251.08792	0.8
267.07794	1.0
269.10773	0.9
305.63840	0.7
311.11514	0.8
325.10556	0.8
487.19443	100.0
488.19983	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
60.17907	0.2
67.05508	0.3
69.03427	0.6
69.78689	0.2
70.06576	0.4
71.38020	0.4
79.05497	0.6
81.07043	0.7
85.02874	0.3
91.05466	1.1
93.07047	0.9
95.04987	0.4
95.08585	0.3
97.06573	0.5
105.04372	0.2
105.07014	1.4
107.08582	0.5
107.88877	0.3
119.04967	1.5
124.07602	0.5
127.03825	0.4
131.04944	0.3
133.06496	2.4
133.42616	0.2
141.05304	0.3
147.04413	6.7
161.05994	1.8
163.03879	0.3
179.07021	2.0
185.04263	0.4
203.05261	0.4
215.07028	0.3
259.09726	0.6
260.09991	1.0
275.07571	0.5
309.09711	0.6
317.08420	0.5
324.02551	0.4
333.07858	2.4
335.09503	4.3
338.42459	0.3
355.17096	0.8
427.16220	0.4
461.48611	0.2
487.08734	2.7
487.21509	100.0
488.21680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1939
Annotation	Rutaevin
Peak:m/z	Relative Intensity
53.03936	1.1
55.01854	1.3
58.06586	1.4
60.08159	2.0
67.05501	2.3
68.75699	1.0
69.03420	1.6
69.07066	3.0
69.73395	6.0
73.02934	1.0
77.59618	1.0
79.05483	3.4
81.07062	6.5
83.04995	1.6
83.08624	1.1
85.02902	3.2
85.06548	1.1
86.09703	3.6
87.00851	1.0
89.25673	0.8
91.05476	2.6
91.54826	0.9
93.07028	1.5
95.08603	3.3
97.02898	2.2
97.06523	6.5
98.06853	1.3
98.20776	2.1
98.97595	4.9
100.11275	5.8
105.07044	2.6
106.05224	0.9
107.08584	4.1
109.02883	1.4
109.10169	2.7
110.97580	3.9
115.05516	0.9
116.98654	1.9
119.08578	3.5
121.10152	1.4
123.11712	1.4
127.03944	1.7
128.98637	1.9
131.08539	1.1
133.10162	2.9
135.11702	4.1
145.10130	1.2
147.04410	2.3
147.11722	2.0
148.11159	0.9
149.13197	1.1
158.99780	1.0
159.11714	1.3
161.13380	1.2
163.03957	2.2
163.07565	1.3
164.04172	1.6
166.57648	0.9
170.99699	2.8
175.04059	1.1
177.00789	1.1
196.43852	1.0
201.00830	1.1
203.18001	2.1
205.15999	0.9
216.07416	1.4
221.19029	2.0
231.01697	2.3
249.02737	5.6
254.12320	1.0
259.09735	4.4
260.10083	5.7
291.03955	2.8
349.05182	6.2
367.14331	2.3
398.48969	1.4
487.19427	100.0
487.36606	3.2
488.19534	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57584	0.9
53.64437	0.8
56.96572	2.0
58.06605	1.1
60.08149	1.5
67.05505	1.9
69.03426	1.1
69.07058	2.4
70.09415	2.7
72.20576	1.0
78.77134	0.9
79.05501	3.4
81.03410	1.8
81.07058	7.1
83.04977	1.2
85.02884	2.8
86.09717	3.3
91.05492	2.4
93.07041	3.7
95.04997	1.2
95.08608	3.2
97.02885	3.7
97.06553	5.7
98.06863	1.1
98.97610	4.7
99.04501	1.0
100.11269	7.6
105.07049	2.3
107.08578	2.9
109.06533	1.3
109.10123	2.3
110.97581	4.1
116.98620	1.6
117.07069	0.9
119.08600	2.8
121.10194	2.3
123.11709	2.3
125.09671	1.2
127.03925	1.7
127.11203	1.1
128.98636	2.6
133.10117	1.0
135.11708	2.5
137.05991	1.1
147.04449	1.3
147.11699	1.7
149.13269	1.5
159.11743	1.1
163.03911	3.4
163.07629	1.0
164.04332	2.0
169.10217	1.0
170.99605	2.5
177.05453	2.0
189.00714	1.0
189.05487	1.4
203.18007	2.7
207.59985	1.0
215.07047	1.7
216.07407	2.1
231.01820	1.9
249.02852	3.8
259.09683	4.3
260.10031	7.5
285.09943	1.0
291.03900	3.7
349.05276	5.3
353.64069	1.1
367.14346	2.3
388.22351	1.7
487.19418	100.0
487.32166	3.5
488.20419	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01881	2.6
56.96562	1.6
57.03432	4.2
57.61006	1.0
58.96701	1.1
59.05003	1.0
60.08127	1.0
60.28987	1.0
60.90989	0.9
61.02926	1.2
67.16212	1.1
69.03436	16.1
69.65377	6.8
70.06590	1.5
71.04981	5.9
72.07727	1.1
72.08169	1.1
73.02943	1.7
79.05488	1.3
81.03422	16.9
81.07048	1.1
85.02905	6.8
86.09706	8.4
87.10042	1.4
89.34009	1.1
91.05470	5.4
92.05244	1.1
95.08635	1.4
97.02886	3.1
98.02386	0.9
98.20790	1.4
98.97579	4.7
99.04462	7.7
104.10747	2.5
107.08600	1.2
109.02888	1.6
116.46169	1.1
116.98642	2.4
117.05508	1.4
118.06554	3.7
119.04951	2.2
120.08180	1.2
121.06500	2.3
124.99982	2.2
127.03905	2.8
145.04932	1.5
145.07634	2.9
147.04425	3.7
147.09163	5.1
149.02312	2.6
158.99690	3.6
163.03915	15.9
173.07126	11.3
174.96941	1.8
175.08664	7.0
177.00728	3.0
177.05458	2.4
184.07373	13.7
185.07660	4.4
191.08167	100.0
192.07199	1.0
192.98007	2.2
193.05080	1.1
201.00497	1.1
219.01808	1.9
233.09131	1.7
236.09650	1.1
237.02722	1.9
283.04645	1.2
289.11856	1.6
289.17761	1.6
305.27676	1.3
307.05026	2.0
307.12900	32.1
307.18506	1.3
313.09198	1.1
321.50552	1.2
325.13950	90.5
381.06964	1.2
445.10007	2.5
447.53278	1.3
451.22726	3.2
487.10843	2.3
487.16830	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	487.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
53.82695	1.1
68.98286	1.2
70.99831	1.6
79.05488	4.4
81.03412	1.5
82.05403	1.0
82.14434	0.9
82.99847	4.6
85.01408	1.3
86.99323	1.3
88.70206	0.9
91.05478	3.1
95.04964	1.3
97.02876	1.3
101.00882	25.9
103.02446	1.8
103.05433	1.1
109.02865	1.1
113.00880	7.6
115.02436	1.6
118.61803	1.2
119.01927	22.7
119.04932	2.7
122.00894	1.2
127.02406	4.8
129.00336	1.5
129.03346	1.7
131.01929	10.1
131.04951	2.2
133.03519	2.4
137.02945	1.3
139.02403	1.6
143.01906	100.0
143.19711	1.1
145.03539	9.6
147.01361	3.8
147.04437	5.1
155.01878	10.3
156.02721	1.2
157.03471	3.9
161.02966	89.3
162.03006	1.7
163.02368	2.2
165.04019	1.3
167.01967	1.9
169.03517	1.9
171.01454	1.3
173.02992	8.6
175.03949	3.6
177.04024	1.0
177.05409	2.4
179.05550	1.5
181.03459	10.8
183.01370	3.4
184.04663	1.2
185.02997	5.0
187.02370	2.3
187.04257	1.3
189.03954	4.6
189.05476	21.2
193.03401	1.7
195.04974	2.4
196.33345	1.4
197.02942	2.4
197.06572	1.1
199.04333	1.4
203.04018	58.1
205.03447	11.4
207.05005	9.4
207.06602	1.6
209.02962	1.4
209.06773	1.1
215.01936	4.8
215.03749	1.3
217.03491	2.4
219.04988	3.4
221.02925	2.7
221.04948	13.3
223.04543	7.1
225.02457	1.4
225.06143	3.1
229.03423	3.5
231.03450	9.3
233.02960	15.6
233.06705	1.4
235.04527	7.1
237.06146	3.2
239.04012	2.6
241.05566	1.4
245.05106	4.1
247.04535	14.7
249.04350	2.2
249.06339	2.2
251.04054	8.7
253.05594	1.6
257.02936	39.6
257.05508	2.4
259.04453	5.4
261.06171	3.2
263.06180	7.6
265.05594	13.9
269.02948	3.1
271.04416	2.1
273.04517	10.3
275.04031	17.7
275.07047	1.8
277.05557	2.3
277.24826	1.1
279.07227	1.5
283.06747	2.5
285.05942	1.5
287.03482	2.2
287.06360	11.8
289.05569	13.5
293.05164	7.2
299.03955	1.4
301.05585	2.2
302.09561	1.1
303.07013	1.6
307.06610	27.4
317.05045	3.7
319.06580	3.9
321.08597	1.1
325.07739	7.5
329.05191	1.9
331.06509	3.9
343.06470	1.4
349.07700	53.7
351.09296	1.9
359.06143	4.0
365.07062	2.1
367.08582	1.5
377.07159	12.1
379.08679	3.6
391.08759	3.5
395.08258	22.7
409.09955	8.7
425.16562	1.1
427.10867	7.8
445.11801	2.3
445.18127	1.1
465.60306	1.0
469.12091	5.4
487.12943	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	4.0
70.63473	7.4
79.05495	2.8
81.03410	4.7
85.02912	7.6
91.05481	12.4
95.04928	3.4
97.02879	5.2
101.00896	21.2
105.07014	4.1
107.04948	9.4
109.02851	4.7
113.00877	9.8
119.01935	28.7
119.04970	17.9
124.61927	2.5
127.02441	4.3
129.00409	4.3
129.03368	7.8
131.01907	26.2
131.04942	11.1
133.03458	4.1
135.04430	3.0
143.01889	26.3
145.03603	16.0
147.01369	6.2
147.04425	17.6
155.01884	23.9
156.02660	3.7
157.03479	7.2
161.02960	46.8
161.05937	8.0
163.03897	4.5
165.05389	3.7
167.01871	3.6
169.03482	8.5
171.01361	3.5
173.02988	20.4
175.02411	5.4
175.03894	4.9
177.05490	10.0
179.05501	4.4
181.03479	13.1
183.01457	5.8
183.05046	8.4
185.02975	12.5
187.02295	3.2
189.03983	6.6
189.05467	100.0
191.05545	3.1
193.03491	8.9
195.05064	8.4
195.82983	3.0
197.02980	10.2
197.06638	3.1
199.04547	7.0
203.02200	4.6
203.04018	30.0
205.03436	14.5
207.04980	18.4
209.02963	7.4
209.06679	3.9
211.04546	6.4
215.01903	8.5
217.03432	4.8
217.05420	3.6
219.04977	6.8
221.02928	14.8
221.05054	41.9
223.04535	23.0
225.06105	6.3
227.04105	3.8
231.03468	35.3
231.05251	3.4
233.02945	29.9
233.06656	7.0
235.04655	19.7
235.06715	5.3
237.06094	14.3
239.04004	10.2
241.05681	3.6
243.05019	2.8
245.02878	4.9
245.05054	5.3
247.04541	19.7
249.04605	12.6
249.06657	3.4
251.03928	17.2
253.05617	11.5
257.02753	24.6
257.05142	19.3
259.04465	10.3
261.06097	9.9
263.03925	8.3
265.05579	27.7
269.02820	12.7
271.04321	5.9
273.04495	25.0
275.03925	19.6
277.05521	12.4
279.07068	5.1
283.06671	8.0
287.06253	47.1
289.05502	18.2
291.06992	3.2
293.05240	3.4
295.06485	4.7
297.11142	3.6
299.06470	5.0
301.05389	7.6
305.05112	3.9
307.06589	42.4
309.08044	4.1
319.06589	8.2
321.08118	6.0
325.07687	29.2
329.05106	3.7
331.06705	9.1
333.08231	6.2
335.06009	5.4
337.07721	10.7
339.09296	11.0
343.08713	12.0
346.43042	2.7
347.06094	16.5
349.07788	12.2
351.09329	17.4
353.07098	4.7
359.06088	27.2
361.07892	5.7
363.09232	8.2
365.07147	16.5
367.08682	26.6
369.10318	5.8
377.07159	24.2
379.08774	45.2
381.10626	4.5
391.08795	19.5
395.08151	14.5
397.09818	6.8
409.09750	19.0
413.09189	3.5
427.10864	21.6
445.11926	34.3
469.24530	2.9
487.12488	46.9
487.17862	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	487.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34184	1.1
57.54168	1.2
64.65538	1.2
66.64317	1.2
68.98302	1.5
69.03446	1.6
69.76385	5.5
69.76798	3.2
70.99888	1.6
79.05492	5.8
82.99873	5.3
85.02927	1.3
86.99353	2.1
91.05490	3.6
97.02899	3.2
101.00888	29.0
103.02431	2.3
103.05436	1.8
105.00376	1.1
105.03431	2.5
113.00872	9.0
115.02463	3.0
119.01945	26.2
119.04927	4.6
127.02423	5.6
129.00385	1.6
129.03354	2.0
131.01939	12.7
131.04974	3.4
143.01906	100.0
145.03572	10.2
147.01425	4.1
147.04378	7.6
147.08611	1.1
155.01897	12.7
156.02744	1.7
157.03473	4.2
161.02975	93.7
161.05869	2.7
163.02414	3.5
165.00349	1.3
167.01947	1.8
169.03444	1.9
173.02966	8.1
175.02528	1.2
175.03958	3.9
177.04013	2.1
177.05513	4.4
179.05565	2.2
181.03481	12.3
183.01373	3.8
183.04965	1.4
184.04597	2.5
185.02940	6.2
187.02393	3.2
189.03969	4.3
189.05472	27.0
193.03477	2.2
194.07144	1.4
195.05104	4.0
197.02896	2.7
199.04526	2.0
203.02043	2.9
203.04015	55.4
205.03473	13.9
207.05046	10.9
207.06706	2.4
209.02798	1.5
211.04561	1.4
215.01982	6.0
217.03513	3.9
219.05043	2.3
221.03090	2.8
221.04984	14.9
223.04538	10.6
225.06032	3.0
229.03473	4.3
231.03368	14.8
233.02979	22.0
235.04602	9.2
237.06100	4.9
239.03986	2.3
241.05658	2.6
243.05205	1.6
243.24971	1.5
245.05116	2.5
247.04567	16.3
247.07024	2.1
249.06181	5.0
251.04034	9.3
253.05656	4.0
257.02939	55.5
259.04605	5.5
261.06210	1.9
263.03751	2.0
263.06073	6.0
265.05542	17.2
265.07855	2.1
267.07141	1.8
269.02878	6.9
271.04532	2.4
273.04581	12.7
275.04053	21.3
275.07245	2.8
277.05539	2.7
283.06693	4.2
287.03262	1.4
287.06366	17.4
289.05524	15.7
291.07434	1.3
293.05252	7.0
293.08087	1.8
301.05539	2.8
303.07095	1.7
305.05029	2.2
307.06644	31.3
315.05609	1.3
317.05127	3.7
319.06586	3.9
325.07825	8.5
329.04874	1.7
331.06586	5.7
333.08359	1.7
337.07642	2.0
339.09204	2.1
347.06064	3.9
349.07709	52.8
351.09326	4.1
359.06216	7.4
361.07684	2.8
363.09183	2.3
367.08673	4.1
373.07419	1.6
377.07181	16.4
379.09000	6.2
381.10440	1.7
391.08908	7.1
395.08267	31.0
397.09866	2.1
409.09860	14.5
427.10934	15.1
445.11905	4.4
469.11606	2.6
487.12976	19.2
495.96188	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	23.8
56.96556	6.4
57.03432	5.3
57.07077	5.6
60.87897	3.3
61.02926	4.3
67.05513	38.9
69.03442	17.8
69.07066	19.6
70.65925	7.3
70.66315	7.4
71.04996	3.7
76.03716	3.0
79.05496	36.6
81.03414	9.1
81.07057	54.5
83.04984	28.6
83.08614	6.5
85.02892	11.7
85.06532	5.3
88.14779	3.1
91.05485	40.1
93.07050	56.2
95.04993	23.4
95.08616	63.0
97.06524	10.9
99.04446	5.3
99.08081	4.7
103.05466	4.0
105.07037	67.0
107.08609	68.3
109.06521	9.2
109.10169	33.7
111.04474	5.2
111.08098	16.1
113.02410	5.4
117.07018	14.0
119.08592	64.0
121.06526	10.5
121.10153	100.0
121.21243	3.6
123.08063	17.4
123.11712	18.4
125.09694	4.7
129.06996	14.2
131.08571	37.8
133.10146	50.2
135.08087	8.0
135.11707	36.0
137.05965	4.7
139.07542	19.6
142.07755	6.1
143.08638	20.5
145.06522	5.2
145.10130	45.8
147.07991	7.9
147.11681	35.0
149.09662	7.1
149.13284	15.6
153.09167	3.6
155.08537	6.4
157.10120	31.7
159.11711	37.8
161.09669	9.1
161.13275	24.6
163.11163	9.4
167.10703	7.1
169.10132	11.7
171.08134	3.7
171.11682	21.8
173.09689	10.4
173.13249	25.6
175.11183	14.2
175.14839	13.1
177.09175	4.0
179.10713	6.2
181.10164	5.7
181.12219	4.2
183.11693	9.6
185.13283	16.4
187.11203	5.0
187.14839	13.8
189.12723	4.7
189.16345	7.0
191.10690	7.4
191.14352	6.0
193.12207	5.7
193.71301	3.4
195.11775	4.6
197.13280	8.7
199.11208	6.5
199.14854	11.7
201.12700	7.1
201.16347	10.1
203.14345	12.3
205.15915	3.7
207.13841	4.1
211.14821	4.5
213.12762	7.1
213.16374	9.8
215.14369	10.4
217.12244	5.6
217.15948	5.3
219.13802	11.4
221.15335	8.0
225.16379	5.2
227.18008	5.9
229.15956	8.3
231.13838	6.9
233.15408	11.7
235.16916	5.0
239.17918	4.3
243.13704	4.2
245.15431	5.7
247.16949	6.3
249.18541	5.6
315.23270	5.6
355.26309	9.7
357.27823	13.2
369.24484	5.8
373.23459	11.4
373.27567	5.3
391.25562	4.8
393.28024	4.5
421.30814	8.2
431.29407	9.4
439.31900	8.0
449.30679	24.2
467.31699	27.0
485.22650	13.1
485.33948	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3268
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.01874	3.5
55.05516	28.1
57.07063	6.0
59.04985	7.6
65.03936	3.8
67.05503	38.1
69.03426	7.8
69.07071	30.6
69.21937	2.6
71.04976	7.7
71.41914	5.2
71.42248	3.9
77.74857	2.8
79.05492	41.7
81.07055	85.4
82.07402	5.0
83.04980	100.0
83.08633	5.5
85.02888	5.8
85.06550	5.0
87.04436	4.0
91.05479	41.7
93.06487	4.4
93.07048	76.4
95.04971	57.4
95.07986	4.3
95.08604	83.5
97.06528	7.3
99.04433	4.5
105.07029	79.2
107.08591	80.5
109.06524	25.0
109.10159	50.1
111.04433	8.4
111.08080	15.0
111.11702	2.9
113.06017	5.4
116.87959	3.4
117.07022	23.4
119.08584	74.1
121.06519	12.3
121.10146	81.6
123.08088	26.1
123.11699	27.6
125.05986	3.6
125.09651	3.4
129.06993	12.9
131.08549	47.2
133.10117	58.8
135.08067	7.6
135.11691	41.2
137.06004	22.0
137.09576	5.5
137.13268	8.3
138.06300	9.6
139.06572	3.6
139.07512	14.7
142.07776	6.2
143.08565	34.8
144.09351	4.5
145.06430	4.8
145.10120	55.6
147.08040	13.0
147.11674	37.3
149.09621	6.7
149.13275	27.0
153.07001	2.9
153.09079	3.9
155.08551	14.2
156.09355	5.0
157.10124	43.8
159.08075	9.1
159.11705	50.9
161.09601	15.9
161.13226	23.3
163.11223	8.1
163.14844	10.1
165.09023	4.0
167.06998	7.1
167.10611	3.4
169.08804	4.8
169.10101	20.9
171.11687	29.7
173.09615	12.6
173.13261	34.4
175.11189	18.4
175.14818	13.5
177.09113	6.3
177.12766	4.0
177.16290	3.5
179.10786	7.2
181.10155	4.1
183.11708	14.0
185.09702	3.7
185.13277	29.1
187.11102	7.7
187.14857	16.9
189.12737	10.3
189.16386	10.0
191.10680	8.5
191.14386	3.6
193.10176	4.6
193.12250	6.9
195.11613	4.8
197.13278	11.9
197.58546	3.2
199.11122	6.5
199.14847	17.8
201.12749	10.8
201.16499	5.1
203.10661	5.0
203.14374	10.6
205.12169	6.5
209.13298	6.4
209.15268	3.6
211.14752	11.5
213.12743	6.3
213.16336	10.8
215.10684	4.2
215.14281	13.5
215.83670	3.2
217.12268	11.4
217.15877	10.9
219.13794	10.0
221.15396	5.6
223.14861	3.1
225.16409	4.0
227.14398	8.4
227.17990	5.2
229.12193	3.7
229.15923	7.8
231.13757	12.4
231.17328	4.5
233.15326	24.0
235.16846	6.8
239.17923	5.7
241.15747	3.2
245.15399	14.3
247.16962	8.9
251.18040	3.7
259.16888	7.0
273.60248	3.4
285.18378	4.5
327.23203	4.4
337.25046	4.8
349.25299	4.6
351.23141	6.5
353.24841	4.3
355.26279	14.0
357.27914	4.3
369.24176	12.2
387.25409	22.7
391.26331	5.9
393.28140	4.8
421.30862	11.5
431.29150	16.8
437.30042	4.2
439.32227	4.5
449.30521	46.3
450.29630	5.7
467.31522	56.7
485.26111	4.4
485.32635	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1995
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
50.40072	0.3
53.44231	0.3
69.28902	1.1
69.29324	1.7
71.28458	0.3
79.45682	0.3
81.07050	0.4
90.19480	0.3
93.87540	0.3
95.08530	0.3
97.06465	0.3
107.08618	0.3
119.08527	0.5
140.64445	0.3
163.03853	0.4
187.57610	0.3
193.32242	0.3
249.11122	0.5
256.16028	0.3
259.07883	0.5
323.14642	5.7
377.02084	0.4
457.20428	0.5
485.19943	100.0
486.20224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3259
Annotation	Kuguacin H
Peak:m/z	Relative Intensity
53.03949	1.8
53.13823	1.3
55.05513	15.3
57.28258	1.4
58.84155	1.4
67.05503	8.1
69.03434	2.2
69.07065	6.4
69.24678	4.2
69.25091	10.0
71.04988	2.1
77.82986	1.3
79.05489	9.8
81.07056	15.2
83.04981	100.0
85.02899	2.1
91.05469	10.5
93.07042	15.7
95.04971	2.6
95.08595	15.9
97.06554	2.5
98.20802	2.9
102.90756	1.5
105.07035	23.6
107.08593	17.8
109.06535	2.4
109.10147	17.6
112.65585	1.3
117.07045	4.8
119.08576	21.1
121.06525	2.4
121.10149	38.4
123.08109	2.1
123.11676	6.8
125.09652	7.8
129.07021	3.3
131.08594	15.9
133.06479	2.7
133.10149	21.2
134.98167	3.1
135.08113	2.9
135.11713	13.0
137.13295	2.2
142.07780	3.8
143.08568	10.9
145.10129	15.7
147.08131	1.5
147.11682	16.6
149.09641	5.9
149.13260	3.1
151.07481	2.0
155.08566	4.7
156.09373	2.0
157.10135	14.4
159.08086	2.4
159.11699	15.9
161.09624	2.1
161.13286	8.9
163.11166	2.0
163.14807	2.3
168.09381	2.0
169.10103	6.8
171.11702	12.0
173.09627	2.2
173.13222	7.5
175.11177	2.9
175.14859	5.4
177.00919	1.7
177.12701	1.8
181.10173	2.4
182.10947	1.8
183.11763	7.3
185.09622	2.7
185.13264	13.7
187.11220	2.8
187.14859	4.2
189.12668	2.2
190.94617	1.3
191.14308	1.7
191.17972	1.6
192.94336	4.1
195.11739	4.6
197.13315	8.1
199.14757	7.2
201.12779	2.6
201.16513	2.4
203.14378	2.4
205.12389	1.7
205.15918	3.8
207.11736	2.7
209.13348	2.9
211.11153	2.2
211.14862	2.5
213.12755	1.8
213.16406	2.0
217.12222	2.6
217.15921	2.3
219.17514	4.0
221.13287	2.1
223.14844	2.9
225.16434	2.4
231.13905	4.2
231.17535	6.4
235.14874	2.5
243.13904	3.2
249.16336	3.3
261.14844	1.6
280.01279	3.5
281.00662	4.7
285.92041	4.6
286.92041	1.6
305.22607	6.9
307.20764	1.8
307.24127	2.5
323.23724	5.2
336.18146	1.4
347.23666	2.7
349.21899	2.4
351.23273	14.2
365.24762	5.8
367.22702	2.2
369.24246	37.0
369.28546	2.5
383.25824	3.4
387.25571	2.7
403.30035	2.9
411.25357	2.8
421.31088	5.8
429.26505	1.7
431.29626	4.7
439.32492	2.9
449.30399	11.4
453.93671	3.6
454.93100	2.1
467.21844	2.5
467.31616	30.0
467.37900	2.5
485.32718	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.5
53.03938	7.3
54.30505	1.6
55.01857	2.0
55.05495	4.1
56.96556	2.0
57.03431	7.5
57.03713	1.5
61.02915	3.1
63.80796	1.7
65.03934	4.4
67.05500	7.2
69.03431	29.8
69.07061	7.2
70.06590	3.3
70.58430	5.5
71.05000	17.7
73.02915	4.7
75.46684	1.7
79.05494	13.1
81.03431	16.7
81.07054	13.5
83.04978	9.1
83.08595	1.9
84.04541	1.7
84.08121	2.1
85.02912	29.1
85.06541	7.6
86.09721	5.0
87.04487	3.0
89.03918	2.5
89.06035	61.8
91.05484	68.2
93.07054	7.0
95.04973	7.7
95.08601	8.9
97.02892	25.6
98.97581	10.1
99.04469	23.7
101.06017	2.6
103.05457	4.5
105.03404	4.9
105.07044	6.5
107.04938	10.9
107.08585	7.5
109.02890	14.2
109.06533	3.4
109.10167	3.4
110.97568	2.3
111.04459	6.6
111.08102	2.5
113.06046	2.1
115.03930	3.2
115.05448	2.4
117.05505	4.2
118.04162	3.8
119.04948	85.0
119.08618	3.7
121.06512	2.9
121.10094	2.9
123.04424	4.8
125.09630	3.5
127.03928	28.3
128.98589	3.6
129.03369	14.3
129.05502	3.9
129.09082	1.8
131.04959	4.1
133.06502	5.8
133.10150	2.2
135.04382	3.3
135.06535	9.5
135.08078	2.3
137.05998	3.3
137.09619	3.3
137.13258	1.7
139.03920	4.1
145.02887	6.4
145.04967	17.5
145.10062	2.0
147.04417	91.0
149.06001	3.1
149.09639	4.3
149.13243	2.3
151.07576	2.8
153.09038	2.2
155.14304	11.1
158.99644	3.2
159.04428	3.1
161.06018	10.2
163.03900	5.0
165.05510	5.5
167.06949	2.2
170.99646	2.4
173.11780	3.2
173.13208	3.5
173.15398	5.3
174.12108	2.2
175.03909	58.2
177.00681	3.7
177.05521	10.9
179.07037	18.5
184.07372	5.2
189.05472	100.0
191.14328	13.9
191.16446	7.1
193.04953	13.4
197.08093	2.2
205.04945	4.9
207.06555	29.4
209.15291	2.9
219.01759	6.4
225.07594	20.5
237.02821	9.2
243.08717	4.5
255.52417	1.8
261.02863	2.5
261.09766	6.4
279.03848	6.8
283.05997	1.7
289.09189	4.1
291.10889	8.6
295.07755	2.5
295.11227	34.8
295.61383	4.3
323.11789	2.5
417.11472	2.4
423.13013	3.6
435.12915	4.9
453.13870	11.2
457.49899	2.1
467.15207	10.2
485.16223	25.4
485.22488	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1634
Annotation	Rubinaphthin B
Peak:m/z	Relative Intensity
57.03422	0.4
67.05479	0.3
69.03423	0.7
69.46657	1.6
70.06590	0.6
71.04976	0.4
79.05482	0.2
81.03426	0.3
81.07069	0.5
84.96009	0.2
85.02911	0.7
85.06502	0.2
86.09723	0.2
87.04493	0.3
91.05461	0.6
93.07040	0.3
95.04978	0.2
95.08621	0.4
97.02884	0.4
98.21582	0.4
98.97584	0.8
99.04459	0.2
103.68346	0.2
105.07038	0.4
107.08616	0.3
107.47063	0.2
109.02901	0.3
111.04445	0.2
116.98615	0.4
119.04922	0.4
119.08562	0.3
123.04493	0.2
127.03898	0.5
131.08582	0.4
135.04384	0.3
136.07512	0.2
137.06012	0.2
145.10133	0.2
147.04420	0.6
147.08078	0.2
151.93237	0.2
155.10625	0.2
157.10091	0.2
160.33640	0.2
161.05960	0.2
161.09579	0.3
163.03961	0.5
164.07050	0.2
164.37431	0.2
166.60042	0.2
174.05484	1.1
175.03969	0.3
181.04987	0.2
191.06856	0.9
192.06657	0.4
207.06622	0.3
219.01805	0.4
237.02885	0.2
238.03233	0.3
249.02992	0.2
283.09308	0.3
295.91406	0.2
299.14822	0.2
305.11368	0.3
305.15085	0.2
333.07913	0.3
353.12085	6.8
354.11932	1.1
395.13446	0.3
437.26929	0.2
485.16351	100.0
486.16675	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36201	0.3
55.05521	1.5
57.06791	0.7
57.07077	14.8
58.06604	1.4
67.05502	2.1
69.07076	2.5
70.06595	13.1
71.08635	7.8
72.08134	0.4
73.02909	1.6
74.06093	0.4
81.07065	2.0
83.08613	1.9
85.09718	0.4
85.10186	3.3
87.04469	0.3
88.07636	16.8
95.08620	2.9
97.10175	0.9
100.01653	0.3
102.09185	13.8
106.08660	0.8
109.10164	0.9
111.11726	0.4
133.94550	0.3
135.11705	0.3
200.20099	16.0
218.21185	1.2
228.23235	28.5
246.24301	2.8
255.23166	2.4
256.26324	1.9
283.26331	32.4
311.29446	16.1
386.61633	0.3
410.79034	0.3
476.94174	0.3
484.47263	100.0
485.47781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91766	0.6
53.58723	0.7
55.01875	2.1
55.05515	1.1
57.03439	6.0
59.04995	1.4
60.08155	0.6
61.02923	4.4
63.51818	0.6
66.24812	0.5
66.61196	0.5
67.05516	1.3
69.03429	9.8
69.07068	3.9
69.36914	4.4
71.01356	1.2
71.05004	1.2
71.08633	46.0
73.02919	20.0
79.05513	0.7
79.11068	0.6
81.03423	2.0
81.07040	0.8
84.01555	0.5
85.02907	23.9
86.09711	2.3
86.43268	0.5
86.50600	0.6
87.04482	1.5
89.35131	0.6
91.03954	1.0
91.05511	0.7
97.02894	17.3
97.06518	1.9
97.13415	0.6
98.06867	0.6
99.04471	1.2
99.08096	100.0
103.03940	1.0
104.10752	1.1
109.02876	1.9
109.10165	1.2
115.03925	7.8
119.08652	0.6
125.00025	1.5
127.03905	7.2
129.12769	12.0
133.04965	8.5
135.11697	0.9
145.04964	8.8
155.14345	2.7
163.03896	1.0
163.05995	2.9
163.11166	1.6
164.04185	0.9
165.12843	0.6
173.02347	0.8
173.15378	91.1
184.07350	8.2
197.12019	0.6
215.06987	1.8
216.07402	1.6
217.07066	0.9
223.06104	1.2
229.14377	1.9
241.06947	1.6
255.15971	3.2
259.07874	2.6
274.11588	0.6
277.09280	0.8
287.18683	0.8
291.12256	1.1
292.12527	2.1
366.72876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01873	1.9
55.05521	2.7
57.03438	7.3
59.05007	1.2
65.03944	0.8
67.05511	11.0
69.03435	13.9
69.07063	3.3
69.50999	6.2
70.06589	3.3
71.04997	12.0
73.02908	1.4
74.06084	2.0
79.05486	2.9
80.36457	0.8
81.03414	1.6
81.06647	0.7
81.07045	5.0
83.04979	2.6
83.08620	1.5
84.08137	0.8
85.02909	11.7
85.06553	1.8
86.09715	2.8
87.04476	7.8
91.05487	8.2
92.05859	1.0
93.07055	10.4
93.38544	0.8
94.07373	1.3
95.04977	3.4
95.08614	21.6
97.02895	12.4
97.06522	4.6
98.06087	1.2
98.06831	1.4
98.20742	1.1
98.97549	1.2
99.04453	2.0
99.08062	2.9
103.05472	0.8
105.07028	1.1
107.08601	3.4
107.21772	1.0
108.08949	1.6
109.02899	1.2
109.06504	1.0
109.10167	18.5
111.04469	1.1
111.08083	20.1
113.06030	2.5
115.03945	9.9
116.07103	1.3
116.98607	0.9
117.03373	1.0
119.08579	11.4
125.09634	2.7
127.03906	2.2
127.11164	1.1
129.09123	4.7
131.08478	0.9
133.04955	6.9
135.04454	1.4
135.11696	4.3
136.12019	2.1
137.02357	1.4
137.09625	26.6
139.03905	0.9
144.06569	2.0
145.02818	1.4
145.04976	1.5
147.04459	1.6
150.07597	0.9
153.12756	2.6
154.13100	1.5
155.10675	82.8
158.99623	0.8
163.03911	5.6
164.04257	3.7
164.07086	0.9
171.13860	2.4
172.14142	1.7
173.11748	100.0
177.05441	1.4
183.08095	1.0
184.07339	2.8
189.05408	1.3
190.05702	0.9
191.14496	1.2
201.08992	1.2
211.07593	1.1
217.04932	1.9
218.05368	1.2
219.01721	1.0
229.08702	4.3
233.08086	1.0
257.08127	4.8
275.09073	1.7
301.97937	1.0
425.12723	1.2
484.14288	5.8
484.21832	0.9
484.38580	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01862	1.2
55.05514	2.1
56.96554	3.5
57.03435	5.2
59.04984	1.1
61.02933	8.3
69.03430	20.7
70.06587	1.8
70.80752	0.9
70.81081	1.8
71.04995	1.9
73.02928	4.1
81.03423	9.8
81.07069	1.6
85.02909	38.4
86.03219	0.8
87.04481	7.7
91.03950	4.2
91.05480	1.5
93.07040	3.4
95.08618	1.3
96.26606	0.7
97.02894	17.6
98.97597	4.6
99.04450	2.7
100.11255	4.9
101.08918	0.8
107.08586	2.7
109.02884	5.8
111.00792	0.8
111.04462	1.2
115.03891	1.0
121.02840	0.9
127.03922	10.8
129.37469	0.8
135.11667	1.6
136.12070	1.3
137.02336	2.2
140.88213	0.7
143.00208	0.8
145.04982	6.0
153.01900	3.0
161.01227	1.3
161.06041	1.3
165.01958	1.1
182.15402	1.6
184.07378	1.0
187.07591	1.2
188.07922	1.4
196.08508	1.1
197.05928	0.8
201.05482	1.4
204.16560	0.8
209.16420	1.4
210.14870	1.8
215.07033	3.5
216.07433	2.4
224.07947	1.3
224.87813	0.7
228.13914	1.2
229.04935	3.1
237.14381	2.2
237.64519	0.9
241.08429	1.3
246.14929	9.8
246.65077	5.5
247.09691	1.3
247.15092	1.0
251.09792	0.9
257.04559	1.2
275.02158	1.0
303.01971	2.0
303.04977	54.5
304.05310	3.3
333.05463	1.4
340.99677	7.7
359.00677	21.9
360.01166	1.2
377.01816	100.0
378.02228	7.9
382.02417	1.0
395.02856	22.1
396.03192	1.3
400.03455	3.8
401.01849	2.0
403.04959	23.0
403.55170	4.9
418.04520	1.0
419.03085	1.9
453.34348	9.9
503.04962	15.3
503.17520	1.8
504.05289	2.1
504.28003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.7
57.03435	8.2
57.07078	9.8
67.05505	4.8
69.07068	22.2
69.47662	5.1
71.08630	5.9
79.05489	2.9
81.07055	5.4
82.98085	0.7
83.04982	2.0
83.08154	1.4
83.08613	20.8
85.10175	2.5
89.05991	0.9
93.07034	5.2
95.08595	3.7
97.06534	1.6
97.10164	13.2
98.98453	8.2
107.08579	3.6
109.10130	2.9
111.08059	1.8
111.11702	3.4
115.85884	0.8
118.52789	0.7
121.10134	5.1
123.11697	1.0
133.10060	1.1
135.11684	3.0
149.13240	1.8
155.01050	4.3
157.10193	0.9
163.14798	0.7
237.22171	1.1
311.25787	100.0
312.26114	1.5
424.85080	0.9
447.24905	2.3
454.34192	0.8
493.47076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90158	0.6
53.03946	0.8
55.05508	2.4
57.03429	4.5
57.07063	1.1
57.18786	0.6
60.61438	0.6
65.03950	0.8
67.05194	0.7
67.05511	6.9
68.07294	0.6
69.03431	11.2
69.07069	6.0
69.12108	0.6
69.42235	1.0
69.42636	4.1
70.06600	0.7
71.04990	0.7
73.02901	1.2
76.89508	0.6
79.05475	2.5
81.03413	2.3
81.07048	7.1
83.08618	2.0
85.02905	9.3
85.06550	1.6
87.04465	7.5
91.05490	3.1
93.07047	22.9
94.06556	0.9
95.04979	1.6
95.08611	55.3
96.08902	0.6
97.02897	11.0
97.06537	1.3
98.97588	1.0
105.07034	1.5
107.08595	27.5
108.12972	0.6
109.02879	2.1
109.10172	5.3
111.08063	0.6
114.09111	0.8
115.03935	9.5
119.04947	1.3
121.10188	0.6
122.06023	5.0
123.11706	2.6
127.03925	2.0
129.03342	0.6
133.04959	9.2
133.10106	0.6
135.11696	25.7
136.07585	22.8
136.08377	0.4
137.13235	0.7
145.02896	0.6
145.04953	1.2
147.04430	1.1
151.11162	0.7
153.12747	100.0
154.13103	0.7
163.03935	2.1
164.07072	36.9
171.13809	9.5
182.08160	3.3
189.05481	1.3
189.14862	0.7
224.09206	5.5
243.11342	1.2
256.05801	0.6
259.08105	0.9
285.12302	2.1
285.16943	1.1
286.10651	1.1
286.17072	0.7
290.10263	1.8
290.72836	0.8
303.13370	1.7
304.24725	0.7
308.11282	4.2
326.12387	6.2
393.14212	0.6
411.15454	0.6
429.16592	0.7
471.28506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00399	0.7
50.83252	0.8
53.03941	1.8
55.05508	1.7
56.96543	1.8
57.03424	1.4
57.34967	0.7
61.02923	1.6
65.03931	1.3
67.05507	6.8
69.03436	5.4
69.07052	1.7
69.28072	0.7
70.06598	1.5
71.04976	2.8
71.54097	0.7
71.54482	0.8
72.08133	0.8
73.02914	1.6
79.05487	2.4
81.03439	5.3
81.07052	3.6
83.04966	1.7
83.08626	1.2
85.02908	8.2
85.06541	0.8
86.09671	0.9
87.04478	1.3
91.05489	3.9
93.07040	4.6
94.06551	3.2
95.04968	1.6
95.08609	5.4
97.02901	5.7
97.06524	3.2
98.55039	0.7
98.97589	3.5
99.04439	1.8
99.08091	1.7
102.19829	0.7
103.26678	0.8
105.07011	1.9
106.02959	0.8
107.04978	0.9
107.08608	2.7
109.02890	6.5
109.06554	1.1
109.10144	2.6
110.97530	1.2
111.04490	1.2
111.08051	0.8
115.03931	2.6
117.07042	0.7
119.04919	2.4
119.08601	1.0
121.06554	0.8
121.10080	1.3
122.06042	12.9
123.04427	1.1
123.08007	0.7
123.11743	1.4
124.03966	1.5
125.06024	0.8
125.09621	1.0
125.45419	0.8
127.03917	4.6
127.04706	0.7
128.98659	0.9
131.08679	1.5
133.04959	1.3
133.06482	0.7
133.10138	2.3
134.86456	0.8
135.04323	1.0
135.08041	0.7
135.11667	3.1
135.56030	0.7
136.07581	65.4
137.05994	1.5
140.07025	1.3
142.07707	1.0
145.02856	1.7
145.04964	1.3
145.10153	1.2
147.04419	9.8
147.11690	1.1
149.09605	1.0
153.12766	7.3
154.13116	0.7
157.10068	1.3
158.99654	1.0
161.09669	0.8
161.13304	0.9
161.79846	0.8
162.05501	1.7
163.03937	0.9
164.07072	100.0
165.05498	1.1
165.07407	0.9
171.13782	1.9
173.09619	1.0
173.11897	0.8
174.09108	0.8
175.04008	1.0
175.11211	0.9
177.05487	2.3
182.08151	15.1
184.07419	0.7
187.11224	1.0
189.05478	3.6
191.14355	0.9
193.12225	1.2
193.15945	2.3
194.12628	1.1
198.09148	0.8
207.06464	1.5
213.09116	1.8
214.08478	0.7
223.13199	1.1
224.09166	15.3
230.07979	0.9
230.11911	0.9
241.08572	1.0
243.11314	1.9
246.11217	0.9
249.03169	1.0
258.11343	0.9
267.15891	1.1
268.08270	1.2
268.16199	1.7
269.08517	1.5
272.09210	0.9
281.11279	1.7
285.12448	6.4
286.10748	3.1
286.17093	1.6
290.10217	7.6
303.13467	3.9
303.19620	1.9
308.11334	12.6
326.12344	21.8
330.01993	1.0
344.13461	1.4
402.04385	1.2
411.15375	2.3
429.16583	2.6
447.17920	1.4
483.18530	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	483.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01855	2.0
55.05508	1.8
57.03427	2.9
67.05490	2.8
69.03428	0.9
69.07071	17.7
70.24723	2.8
79.05494	9.4
81.07053	1.2
81.83473	0.7
83.04967	1.3
85.06532	1.2
89.03900	2.2
91.05486	1.4
96.15498	0.8
97.06533	70.3
107.04916	1.6
111.08064	1.6
112.08875	1.1
117.03396	3.2
129.09108	1.7
133.02847	2.4
135.04398	4.1
145.02843	6.2
157.06435	1.2
159.04436	8.1
159.07932	1.0
161.02351	24.0
163.03911	48.3
169.06477	0.8
173.02351	51.1
177.05469	0.9
185.06042	3.8
187.07574	2.2
191.03401	8.1
197.05858	1.2
213.09216	0.9
215.07034	77.0
233.08073	3.8
241.08575	13.4
259.09671	27.1
273.11261	13.9
287.16498	0.7
291.12274	100.0
292.12643	1.2
445.30615	0.8
464.17661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69288	0.9
55.01872	2.3
55.05508	3.6
56.96564	2.1
57.03436	4.4
61.02932	1.3
67.05492	3.1
69.03413	3.9
69.06731	1.6
69.07071	18.4
71.24969	0.7
79.05492	11.7
81.03452	2.1
81.07045	3.8
81.85726	0.9
83.04991	1.8
85.02901	5.1
86.92079	0.9
89.03928	1.8
91.05473	2.8
93.07035	2.2
95.04952	2.5
95.08631	1.9
97.02885	2.2
97.06532	66.1
98.97594	4.7
105.03375	1.2
105.07028	5.2
107.04951	1.4
107.08584	2.2
108.82937	0.8
110.16658	0.8
111.08069	2.8
112.08869	1.4
117.03368	4.2
117.07023	1.5
119.04923	1.8
119.08581	2.1
121.06503	2.5
121.10165	1.1
127.03925	1.5
129.07047	2.1
129.09120	2.1
131.08585	2.9
133.02844	2.6
133.10120	2.2
135.04402	5.7
141.01802	1.1
141.07002	1.4
143.08516	1.0
144.09343	1.1
145.02852	4.6
145.10112	6.4
147.04408	2.9
147.11652	1.1
157.06409	1.4
157.10098	1.6
158.99658	2.3
159.04443	8.6
159.08031	1.7
159.11673	4.3
161.02348	26.1
161.09511	1.1
163.03911	39.0
169.06471	0.9
169.10081	1.1
170.95667	0.9
173.02354	55.0
173.09627	3.9
173.80605	0.8
177.05450	1.7
185.06018	3.1
186.03233	1.0
187.04085	1.0
187.07590	2.1
187.11189	6.6
191.03369	9.3
213.09053	1.9
215.07043	95.2
215.10622	5.6
217.15918	5.7
219.01782	1.4
232.64969	1.2
233.08133	4.7
235.17017	1.6
241.08585	11.0
241.60414	1.3
259.09662	33.1
273.11240	17.2
279.15939	1.0
289.14331	3.4
291.12277	100.0
307.15378	2.5
338.44940	1.1
363.12256	1.1
483.18372	2.9
509.00397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01873	2.1
55.05514	2.6
56.40926	1.0
57.03428	2.9
67.05495	3.0
69.07069	15.8
69.22044	1.1
70.15083	3.3
71.04983	2.7
74.77135	1.1
74.78664	1.2
79.05158	1.3
79.05505	15.4
81.07048	4.4
83.04977	1.5
85.06504	1.4
89.03916	2.2
91.05477	2.0
93.07076	1.1
95.04947	2.4
97.06534	46.7
97.10142	1.2
105.07018	2.2
107.04956	1.3
107.08622	1.5
111.08063	4.7
112.08887	2.0
117.03358	3.3
119.04993	2.6
119.08562	1.5
129.09113	4.0
131.04999	1.4
131.08556	1.4
133.02858	4.9
135.04384	4.5
145.02817	4.9
145.10129	2.6
147.04411	5.0
159.04381	3.7
159.08138	1.7
159.11728	1.9
161.02347	9.9
162.03159	1.4
163.03911	31.3
167.08589	2.6
169.76085	1.1
171.07968	1.7
171.11740	1.3
173.02351	72.1
173.09608	1.7
174.71756	1.2
175.03889	2.4
177.05457	4.5
185.06004	3.9
187.03929	2.8
187.07535	1.6
187.11150	1.6
191.03421	8.5
195.08098	2.9
199.03851	1.4
207.06424	1.3
213.05420	1.2
213.09106	3.3
215.07034	73.4
223.07553	1.6
233.08084	3.9
238.06320	1.4
241.08604	39.0
241.11081	2.0
259.09650	66.7
273.11224	100.0
291.12354	8.0
307.15240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70800	2.3
53.03938	5.1
55.01872	6.8
55.05508	9.2
57.03432	8.7
63.90546	2.0
65.03942	4.0
67.05510	11.2
69.03411	5.7
69.07066	2.6
69.71281	4.6
69.71696	7.7
71.01347	5.7
71.04993	5.2
73.02921	5.1
79.05495	18.8
81.03408	8.6
81.07046	9.1
83.04987	3.7
85.02915	17.2
91.05486	22.4
91.22864	2.0
91.98810	2.2
93.07050	23.9
95.01333	8.4
95.04989	14.0
95.08588	2.4
97.02877	7.8
97.06528	13.6
99.00837	2.0
99.04439	4.2
101.02325	2.3
103.03945	3.4
103.05460	3.2
105.04487	2.6
105.07036	46.0
107.04980	10.2
107.08581	6.4
109.06512	4.7
109.10174	2.3
113.02364	5.9
113.06009	2.6
115.05458	5.8
117.07034	14.7
119.04924	11.2
119.08603	16.3
120.05766	3.1
121.06511	47.9
121.10144	4.7
125.05998	2.4
128.06247	5.6
129.05487	3.2
129.07002	10.2
130.07773	8.4
131.04926	3.1
131.08575	27.2
133.06462	5.7
133.10178	10.1
135.04396	3.7
137.02345	2.2
139.07564	2.5
141.01831	13.2
141.06956	5.8
142.07805	5.5
143.08585	17.7
144.09357	10.2
145.06500	21.8
145.10138	84.9
146.07281	3.2
147.04436	3.7
147.08032	3.3
147.11707	10.9
149.05951	2.9
153.07013	3.4
154.07785	4.7
155.08537	8.9
157.10129	17.9
158.07262	16.7
159.02803	2.3
159.04271	2.0
159.08057	23.6
159.11699	56.3
163.03751	2.3
167.08578	3.5
169.10124	19.1
171.08035	5.8
171.11679	6.3
172.08792	7.4
173.09633	54.5
175.11244	4.4
177.05437	2.2
178.07912	1.9
179.08556	5.9
182.07271	3.8
185.09631	8.6
187.11195	100.0
189.05470	3.1
191.10706	4.0
194.12628	4.4
197.09601	19.8
200.71393	2.1
202.77840	2.6
205.04890	2.3
205.12283	10.6
213.09140	5.9
215.08678	4.3
215.10696	75.3
215.12756	4.6
233.11809	10.1
235.11209	2.6
237.12483	2.1
256.10965	3.8
259.09708	3.3
261.15005	3.0
265.12000	4.2
265.14517	5.0
270.12570	5.9
279.15961	5.4
279.88196	2.1
281.11755	4.7
283.13324	2.4
285.16898	2.9
286.17377	10.7
289.14368	35.3
291.10123	3.4
307.15427	25.7
309.11145	4.9
327.12286	5.7
331.11682	4.1
345.13440	6.1
391.13696	3.4
397.20966	3.9
403.20706	2.2
419.17105	3.7
439.22574	11.1
483.21674	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.9
57.03449	5.1
57.03671	1.2
61.02935	1.5
67.05507	5.7
69.03420	1.5
69.07049	2.4
69.29913	1.4
69.30311	7.8
71.04996	1.1
79.05515	7.7
81.03425	27.6
81.07056	8.5
83.04988	5.4
83.08624	9.1
85.02902	9.9
91.05490	10.5
93.07071	5.2
95.04977	10.8
95.08600	3.5
97.02882	1.8
97.06527	2.2
97.10160	1.9
105.07032	8.5
107.04918	1.6
107.08576	1.5
109.06531	1.3
111.08115	4.8
113.06035	1.0
113.98239	0.9
119.08597	8.4
121.10152	3.4
123.08064	1.4
123.11699	0.9
129.07007	4.2
131.08553	4.3
133.10147	4.4
142.07817	1.2
147.08060	1.7
147.11736	7.8
149.09662	1.9
157.10133	8.4
165.12743	2.5
168.66403	1.1
175.11130	7.3
193.12262	26.8
211.13293	21.9
221.99602	1.0
267.15939	8.0
285.16980	100.0
377.63565	1.0
447.22229	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98007	1.5
51.29808	1.6
51.93923	1.7
53.03934	3.1
55.01851	2.6
55.05505	4.1
56.60441	2.0
56.96552	1.8
57.03440	4.2
61.02926	2.0
64.79594	1.5
67.05502	2.5
69.03434	8.2
69.07060	5.6
69.29147	15.0
70.06566	2.5
73.02913	3.4
73.14105	1.7
74.03972	1.4
78.12425	1.5
78.78130	1.5
79.05486	3.4
81.03428	2.7
81.07051	4.1
83.04971	5.0
85.02928	8.4
85.06523	2.1
87.04478	3.5
89.01106	1.5
91.05501	7.7
93.07041	5.8
94.07364	3.4
95.04969	4.3
95.08604	4.6
97.02901	8.0
97.06513	8.4
98.21609	2.0
98.97542	3.3
99.04424	1.9
99.08069	2.2
100.29335	1.5
103.05472	1.7
105.07017	3.2
107.08605	8.3
108.08911	5.2
109.10113	1.7
115.03923	5.7
115.05425	4.9
117.06987	2.7
119.04961	2.5
119.08582	1.8
121.10119	2.3
127.03945	2.6
128.06174	2.8
129.06985	4.6
131.08560	6.6
132.16302	1.7
133.04950	4.9
133.06462	4.0
135.11674	7.3
136.12030	3.7
140.67406	1.5
141.07025	13.1
142.07822	3.3
143.04913	1.7
143.08563	3.8
145.04907	2.2
145.06450	3.6
147.04402	7.9
149.05989	2.0
152.06200	4.3
153.12758	2.8
157.06558	3.0
157.10141	4.7
159.08087	3.9
160.05212	6.8
161.05977	21.1
163.03893	9.4
167.08562	8.6
169.06511	13.0
171.08041	3.4
173.05997	9.9
174.06728	3.6
175.03883	10.5
175.07524	5.0
177.05438	4.5
181.06468	2.8
184.05177	4.2
185.06003	5.9
185.09622	5.4
187.07542	45.1
189.05519	7.8
189.09119	24.2
195.08087	15.2
197.06000	16.2
199.07648	2.8
200.04686	5.0
201.05470	12.0
203.07008	2.5
203.10710	2.4
205.04854	2.2
213.05467	4.0
213.09117	19.0
214.63237	2.6
215.07027	100.0
215.10487	3.9
217.08591	4.7
219.13373	2.6
223.07568	22.4
228.13817	4.7
228.64043	1.9
231.10204	5.5
233.08131	4.0
237.14407	15.9
237.64624	2.2
241.08592	44.2
243.10173	16.6
246.14934	62.5
246.65126	11.9
247.09654	22.5
259.09723	24.1
273.11206	4.3
303.05032	7.3
303.19388	2.0
339.98215	1.7
359.00900	2.3
377.01782	10.7
403.04868	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01861	1.4
55.05511	6.3
57.03436	4.6
57.06732	0.9
57.14835	0.8
61.02922	2.6
64.54203	0.8
65.03876	0.9
67.05507	7.8
69.03423	3.0
69.07057	3.1
70.72540	1.7
71.04990	1.5
73.02888	1.3
79.05489	9.5
81.03417	39.5
81.07055	10.5
83.04977	8.5
83.08621	14.2
84.51711	0.8
85.02904	12.4
91.05480	14.0
93.07043	6.5
95.04962	14.3
95.08596	3.8
97.02915	2.7
97.06508	2.0
97.10157	2.0
105.07043	9.2
107.04935	2.8
107.08590	3.8
109.06481	2.6
109.10152	1.1
111.04445	1.4
111.08084	6.8
113.05992	2.3
119.08591	7.9
121.06504	0.9
121.10122	3.6
129.06987	5.2
130.22882	0.9
131.08583	6.1
133.06451	1.3
133.10152	4.8
137.09615	1.0
142.07759	1.4
147.08003	1.8
147.11688	9.5
149.09599	3.1
157.10138	8.0
165.12688	2.5
175.11163	9.9
193.12234	42.2
211.13289	38.8
223.45903	0.8
229.14320	2.5
267.15891	17.4
285.16956	100.0
286.17212	1.2
429.21277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82611	1.2
53.03939	4.6
55.01880	2.8
55.05512	7.0
57.03442	10.4
59.04985	2.4
61.02918	2.7
62.76661	1.3
65.03925	1.6
67.05515	7.2
69.03436	39.4
69.07061	4.8
71.04994	1.7
71.39872	2.7
73.02914	3.1
79.05496	15.2
81.03418	5.1
81.07059	11.7
83.04973	4.6
85.02441	2.1
85.02914	34.6
85.14851	1.2
87.04473	25.9
91.03968	2.1
91.05491	20.6
93.07052	94.5
95.04961	8.2
95.08614	18.7
97.02899	34.9
97.06523	13.3
99.04434	2.8
105.04514	2.7
105.07024	9.9
106.07108	1.3
107.08598	100.0
109.02856	1.9
109.06498	3.5
109.10139	4.6
109.83730	1.2
115.03944	42.0
119.06076	1.8
119.08605	5.6
121.06535	1.8
121.10152	8.0
123.11723	1.7
127.03902	5.4
129.07028	1.6
131.08592	2.9
133.04977	53.8
133.10133	5.5
135.11699	85.8
137.09631	1.7
137.13286	2.7
143.08548	2.1
145.04994	6.3
145.10170	2.6
147.08134	1.5
147.11690	2.9
153.12756	14.4
157.10121	1.8
159.11729	3.3
163.06047	3.0
163.07326	1.5
166.08623	1.4
175.11179	2.1
177.12735	7.8
179.02002	1.3
201.12675	2.5
211.13339	1.4
213.12663	1.9
215.07027	1.6
231.13747	3.1
241.07146	1.6
257.80353	1.3
259.08188	4.6
267.15912	11.1
285.17001	7.9
295.10217	5.8
297.17020	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51826	1.9
53.03928	3.2
55.01874	4.6
55.05492	5.6
57.03439	18.9
59.04987	4.2
60.12085	2.2
61.02920	2.9
67.05499	6.1
69.03093	2.8
69.03433	49.0
69.07062	5.3
69.35184	2.0
69.75331	5.7
69.75741	5.9
73.02917	13.0
77.42265	2.1
79.05486	12.1
79.21957	1.8
80.83930	1.9
81.03423	5.3
81.07057	21.9
83.04958	4.2
85.02386	2.4
85.02906	47.5
85.06551	2.7
87.04472	33.3
91.05489	19.5
93.07048	84.7
95.04951	5.9
95.08614	18.8
97.02892	48.7
97.06507	6.3
98.20811	3.9
105.04493	2.3
105.07033	8.9
107.08599	100.0
109.02897	2.2
109.06493	3.8
109.10137	6.0
115.03931	62.3
119.08593	5.2
121.10129	6.9
122.56194	2.2
127.03907	8.7
129.03247	2.1
133.04967	66.8
133.10110	3.7
135.11699	90.9
137.13240	8.4
145.04967	11.3
147.11627	3.1
153.12766	16.5
163.05974	5.1
174.84904	2.0
175.11269	2.0
177.12738	7.1
179.05504	4.1
184.07378	2.1
185.89229	2.3
201.12619	2.0
219.13857	3.6
241.07085	3.9
249.14909	3.1
249.94223	2.0
259.08154	7.5
267.15878	7.4
277.09119	2.1
295.10181	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44303	0.3
57.15953	0.3
57.80753	0.3
60.04525	6.2
67.05497	0.8
69.03464	0.5
69.32333	2.3
69.32750	0.8
70.06563	0.5
71.04998	0.4
73.02906	0.3
79.05491	0.8
81.02203	0.3
81.03403	0.4
81.07053	1.0
83.04981	0.7
84.08133	0.3
85.02917	0.4
86.09709	21.6
87.05073	0.5
87.05589	5.0
91.05521	0.7
93.07043	1.4
95.04954	0.5
95.08617	0.5
97.02872	0.5
98.05953	0.3
98.09683	0.5
103.05453	3.1
109.86613	0.4
111.04446	0.5
120.08108	100.0
121.10146	0.4
124.03912	0.4
128.10709	3.1
128.30188	0.4
133.10078	0.4
134.04509	0.8
135.11671	0.4
145.02849	0.5
145.10129	0.4
173.12865	26.7
177.05557	0.7
191.10684	0.3
201.12343	13.1
209.11763	0.4
233.16470	0.5
265.14331	0.5
281.11325	37.2
283.15356	2.2
301.16489	1.3
303.17111	2.2
348.19189	3.0
481.26544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98077	1.9
53.03942	4.1
55.01865	8.2
55.05513	23.7
57.03443	13.9
57.07080	2.3
58.71674	1.7
59.05001	1.8
62.99072	1.7
65.03941	5.4
67.05505	80.5
69.03422	9.1
69.07072	18.0
71.04656	1.6
71.04980	11.2
71.50763	1.7
77.10130	1.8
79.05496	44.2
81.03421	53.4
81.07059	70.0
83.04979	20.7
83.08627	18.2
85.02908	23.0
85.06549	9.3
91.05484	76.3
93.07049	33.2
95.04973	32.8
95.08617	19.0
97.02848	2.7
97.06516	9.9
97.10185	3.6
98.20795	4.1
99.04453	5.7
99.08099	3.2
102.78545	1.8
105.07034	72.7
105.57834	1.8
107.04955	6.8
107.08586	53.5
109.06535	9.8
109.10159	87.4
111.04444	5.4
111.08057	12.7
113.05995	6.4
117.07018	4.1
119.08598	21.6
121.06480	2.6
121.10168	10.9
123.08067	5.0
123.11691	11.0
125.09621	3.2
127.07545	4.3
128.06255	2.5
129.06973	9.0
131.08578	12.2
133.06493	3.1
133.10130	100.0
135.11678	4.2
137.06035	2.2
137.09631	3.4
142.07776	2.8
145.02792	2.2
145.10136	5.3
147.08058	3.4
147.11682	11.7
149.09634	7.1
151.11191	51.5
157.10173	13.8
161.09631	3.0
163.03943	17.1
165.12843	2.2
169.12248	16.0
175.11191	12.4
179.10692	3.4
181.12196	2.7
189.05594	5.3
193.12254	44.5
197.11717	2.1
211.13283	54.4
215.12848	6.5
253.14357	97.5
267.15915	14.0
271.15332	9.2
319.08151	2.4
358.77692	2.3
371.46228	2.1
430.65259	1.8
435.58295	2.1
463.26904	19.4
481.28003	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1681
Annotation	Bruceine B
Peak:m/z	Relative Intensity
57.03424	0.3
58.37728	0.2
58.73719	0.2
69.37096	2.2
79.05492	0.5
85.02911	0.5
93.07029	0.4
97.02834	0.2
98.20798	0.6
107.08579	0.3
117.03426	0.3
123.08009	0.3
127.03694	0.7
135.04373	0.4
145.10071	0.3
151.35635	0.3
163.03941	1.5
163.11209	0.7
164.11549	0.4
169.04729	0.4
173.04240	0.4
177.30234	0.3
186.06490	0.9
215.05235	1.0
227.12866	0.3
229.06877	0.8
245.06509	0.5
249.09726	0.2
251.08592	0.3
259.05692	0.5
266.72763	0.3
283.15408	2.0
284.15717	2.9
301.08728	0.3
317.08356	2.1
319.08820	0.3
349.12668	1.7
363.68381	0.3
481.16806	100.0
482.17105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00114	0.4
53.03933	0.5
55.01861	1.8
55.05508	3.2
57.03431	1.8
57.07065	0.5
58.65326	0.4
59.04990	0.4
59.05505	0.4
61.02921	1.8
63.20611	0.3
67.05501	4.0
69.03425	0.9
69.07059	1.6
69.97497	2.0
71.04981	0.7
73.02904	1.0
76.68767	0.3
79.05495	6.0
81.03426	1.8
81.07056	5.9
83.01334	1.0
83.04973	1.6
83.08614	4.3
85.02907	2.3
86.09697	0.7
91.03973	0.6
91.05471	2.2
93.07043	10.3
95.04958	1.6
95.08609	10.6
97.02865	2.1
97.06519	1.5
99.04446	1.4
105.07019	2.1
107.04968	2.7
107.08595	7.5
109.06510	1.5
109.10143	0.8
111.04437	1.0
117.07024	2.8
119.08598	3.5
120.36017	0.4
121.06516	1.7
121.10137	4.9
123.08041	1.2
124.99998	0.6
125.05992	1.3
127.03888	0.3
130.07784	0.6
133.10094	1.4
135.08049	0.8
135.11684	17.9
139.07512	1.0
141.45592	0.3
143.08597	0.4
145.10123	9.9
147.07936	0.4
153.12672	1.0
163.11177	27.4
173.09624	0.8
181.12222	6.3
184.07338	2.4
191.10678	0.9
209.11705	3.0
227.12776	36.4
251.08624	0.4
283.15387	100.0
284.15677	0.8
301.16388	4.5
302.88467	0.4
436.20523	0.4
445.20557	0.4
480.18893	2.1
481.16519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01864	1.4
55.05513	2.9
55.75633	0.4
57.03434	2.2
57.07065	0.4
61.02929	1.2
67.05507	3.9
69.03421	0.6
69.07062	1.4
70.84267	1.2
71.04991	0.8
71.95814	0.4
73.02925	0.7
78.98914	0.4
79.05499	6.6
81.03423	2.6
81.07058	5.9
83.01347	1.2
83.04973	1.7
83.08630	2.9
83.99436	0.5
85.02892	1.8
85.06527	0.5
91.03973	0.9
91.05484	2.6
93.06496	0.7
93.07053	10.0
95.04972	2.4
95.07995	0.5
95.08611	9.5
97.02880	2.5
97.06525	1.3
99.04446	1.6
105.07040	1.9
107.04963	3.6
107.08595	7.5
109.02869	0.4
109.06505	1.2
109.10157	1.2
111.04426	1.1
111.08080	0.6
117.06989	2.0
119.08597	3.5
121.06500	1.5
121.10148	4.1
123.08064	0.7
125.05984	0.8
128.98506	0.4
129.06999	0.4
129.61377	0.4
130.07780	0.4
131.08510	0.6
133.10143	0.6
135.04385	1.2
135.08087	0.8
135.11697	15.5
139.07475	0.7
145.02837	1.2
145.09065	0.8
145.10132	10.6
153.12723	1.2
163.03915	6.4
163.11192	25.6
173.09636	1.1
181.12241	5.6
191.10751	1.0
193.12238	1.0
194.12639	0.9
199.06114	0.8
209.11694	2.3
227.12791	31.6
267.15750	0.4
268.16412	0.7
274.10876	0.5
283.15402	100.0
286.17142	0.5
301.16467	1.0
317.06696	1.2
318.06934	2.2
319.07806	0.6
445.20535	1.6
480.17657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01872	4.7
55.05512	9.1
57.03431	5.0
57.04539	0.6
57.07066	1.0
59.04993	1.7
60.90334	0.8
61.02915	2.5
65.12715	0.7
66.15795	0.8
67.05506	6.6
69.03426	1.9
69.07059	1.8
69.41447	6.0
71.01343	1.1
71.04971	3.1
79.05492	9.6
81.03427	8.4
81.07047	10.5
83.01349	6.3
83.04977	6.9
83.08624	8.7
85.02914	5.7
85.06557	1.0
87.04487	0.8
91.03967	0.7
91.05466	5.4
93.07042	14.2
95.04946	2.3
95.08595	4.5
97.02878	3.9
97.06521	3.8
97.10166	1.3
99.04433	1.4
103.05508	0.7
105.07008	4.4
107.04372	0.8
107.04957	7.3
107.08591	7.6
107.43288	0.6
109.06493	4.0
109.10146	1.1
111.04443	3.0
111.08088	1.9
117.07037	3.9
119.08553	4.9
121.06497	2.0
121.10146	5.7
123.08043	5.1
125.05936	1.3
130.07776	0.8
131.08551	2.4
133.10207	1.1
133.98663	0.7
135.08026	0.9
135.11674	9.3
137.09619	0.9
139.07564	1.0
145.10124	10.6
147.08018	1.1
149.09561	1.0
153.12717	4.6
155.08589	1.3
163.11179	19.0
173.09621	3.5
181.12270	4.2
191.10620	5.3
201.54990	1.0
209.11732	8.5
227.12746	7.9
251.08617	6.1
251.58780	0.9
266.71265	0.8
279.26810	0.8
283.15405	100.0
285.56192	0.9
445.20441	1.0
481.16943	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	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82225	0.5
51.07500	0.5
52.53587	0.5
53.03932	1.0
55.01873	4.2
55.05515	7.0
57.03428	2.8
59.04993	0.9
61.02920	2.2
66.13654	0.5
67.05507	4.9
69.07066	1.5
70.59109	0.7
70.59449	1.0
71.01365	1.1
71.04986	1.3
73.02924	0.5
79.05492	5.5
81.03431	6.2
81.07061	8.2
83.01331	5.7
83.04982	6.2
83.08614	6.0
85.02905	4.5
85.06599	0.5
91.03951	1.1
91.05473	4.5
93.07050	10.8
95.04973	2.2
95.08624	2.8
97.02882	2.7
97.06527	2.7
97.10158	1.5
99.04459	1.3
105.07051	3.6
107.04959	4.4
107.08590	5.4
109.06505	2.6
111.04443	2.0
111.08064	0.9
116.00877	0.5
117.07018	3.4
119.08571	4.5
121.06493	2.0
121.10135	3.2
123.08060	3.8
125.06030	0.9
125.09543	0.5
129.07014	0.7
130.07750	0.6
131.08569	1.3
135.08049	1.1
135.11687	7.3
137.09605	0.7
145.10141	8.3
147.08070	0.9
149.09650	0.6
153.12712	3.4
155.08528	0.7
163.09866	1.1
163.11191	16.4
173.09656	3.3
181.12259	3.0
191.10709	5.4
199.60007	0.6
209.11726	9.7
227.12770	8.7
267.26096	0.5
283.15405	100.0
301.16373	2.5
483.11740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01877	8.1
55.05515	31.0
56.96562	4.4
57.03440	12.4
57.07071	2.9
61.02922	5.8
61.57701	1.7
63.91567	1.6
65.03942	5.3
67.05508	72.4
68.05822	1.8
69.03439	5.6
69.07060	22.5
69.12824	1.4
70.81202	3.9
71.04999	7.7
71.08631	4.6
73.02924	4.6
74.60825	1.4
79.05495	58.1
81.03420	43.3
81.03863	3.1
81.07058	93.1
82.07390	1.9
83.04989	17.6
83.08625	28.5
85.02908	24.8
85.06536	6.3
90.63039	1.9
91.03963	2.2
91.04907	2.7
91.05479	52.4
93.07046	63.0
95.04966	27.0
95.08606	25.7
97.02914	5.8
97.06525	15.8
97.10178	7.5
99.04458	1.9
99.08102	5.9
103.03950	3.1
103.05511	1.7
105.07035	36.2
107.04955	9.2
107.08601	33.6
109.02901	1.8
109.06521	9.9
109.10154	14.3
111.04489	3.7
111.08060	12.0
113.00018	20.8
113.06030	1.9
115.05453	2.2
117.07023	13.7
119.08582	22.1
121.06527	4.3
121.10145	25.5
123.08117	4.6
123.11714	4.5
125.09608	7.5
128.06223	2.3
129.07001	8.0
131.08572	20.2
133.06564	2.1
133.10129	29.4
135.08116	4.8
135.11676	10.8
137.09602	3.0
139.11263	2.3
140.72014	1.5
142.07846	2.8
143.08582	4.0
145.06552	2.0
145.10182	7.0
147.08041	3.6
147.11700	12.9
149.09680	7.6
149.13268	23.9
151.11229	6.2
153.09161	2.0
157.10126	11.1
159.11720	10.5
163.11250	5.1
165.00160	1.6
165.12743	3.4
169.02702	5.9
171.11752	2.9
175.11162	10.4
177.12799	4.0
179.98401	2.1
181.12317	1.8
187.03705	2.1
189.11272	2.0
193.12253	35.4
193.13892	2.6
195.13797	10.1
197.87988	1.4
211.13283	50.9
215.12738	1.7
227.12880	4.8
233.15448	2.1
253.14429	6.6
267.15933	11.9
269.17398	7.7
275.20041	9.2
283.08630	2.5
287.11444	2.4
293.21088	20.7
297.04837	1.9
323.10760	4.4
333.17593	2.0
349.23935	2.1
351.18597	4.6
351.23114	3.7
366.16495	2.7
367.24823	19.5
369.24106	3.8
387.25272	5.0
405.26437	1.8
435.27588	1.9
443.21884	5.8
443.27646	2.6
461.23117	2.4
461.28949	18.2
479.30191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.6
53.03942	8.4
55.01870	6.9
55.05510	29.2
56.96586	2.5
57.03440	16.6
57.07083	3.8
65.03953	4.0
67.05505	83.2
69.03435	4.9
69.07067	28.5
69.37729	14.2
70.30556	1.5
71.04978	8.8
73.02924	1.6
79.05112	1.5
79.05493	62.6
81.03419	34.8
81.07053	100.0
83.04988	16.0
83.08609	23.5
85.02916	14.6
85.06552	5.4
91.05479	55.8
91.06023	3.2
93.07042	65.4
95.04967	39.7
95.08609	31.5
97.02879	3.4
97.06520	15.6
97.10187	7.0
97.66103	1.9
98.97591	2.2
99.08087	3.5
105.07033	36.5
107.04977	7.7
107.08605	39.0
109.06531	9.7
109.10150	13.5
111.04462	2.7
111.08080	14.7
113.00023	28.8
115.05462	2.8
117.07015	12.4
119.08573	24.9
121.06541	5.9
121.10142	21.8
123.08103	4.7
123.11693	3.2
125.09652	5.0
128.53853	1.7
129.03304	2.1
129.06979	13.0
131.08565	23.3
133.06516	4.0
133.10133	22.8
135.08075	4.8
135.11702	13.9
137.09590	1.8
138.62137	1.7
139.11143	3.1
142.07735	2.3
143.08585	4.2
145.10127	11.6
147.08083	3.3
147.11693	13.8
149.09663	5.8
149.13249	30.8
151.11195	2.8
155.08557	2.7
157.10159	10.7
159.11679	17.6
161.09630	2.3
161.13293	2.6
163.11258	4.5
165.12785	3.1
169.02629	8.7
169.10225	2.8
171.11763	2.4
173.13248	4.0
175.11139	8.0
177.12808	5.8
185.77879	1.7
187.03775	2.5
189.05493	11.7
189.11314	3.2
193.12236	34.5
193.13844	2.2
195.13850	10.4
200.46448	1.9
211.13292	32.8
229.14349	1.6
249.15086	3.0
251.16502	3.1
253.14426	2.1
257.19238	2.1
267.09091	2.3
267.15897	13.6
269.17474	38.2
269.20126	3.0
275.17462	2.3
275.20013	11.9
307.11823	2.0
331.22903	3.0
343.22836	4.1
349.23895	11.1
361.23563	2.1
363.15933	2.0
367.24722	19.7
369.24158	5.3
387.25293	7.9
405.26114	3.0
435.27991	2.1
443.28027	2.9
461.28906	21.1
479.30170	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.8
54.46204	1.3
55.01862	5.0
55.05271	1.7
55.05515	22.4
57.03442	15.8
57.07067	2.2
59.04998	1.4
62.03571	1.4
65.03942	2.8
67.05506	73.6
69.03426	3.9
69.07068	26.1
71.04980	7.8
71.08587	1.5
71.55910	1.9
79.05492	57.0
81.03419	40.1
81.07056	83.5
83.04984	14.8
83.08615	28.4
85.02904	20.2
85.06547	4.5
91.05479	49.4
93.07045	66.6
95.04969	34.7
95.08615	26.3
97.02927	3.0
97.06521	13.0
97.10159	4.9
99.08079	2.8
103.23083	1.5
105.04520	2.3
105.07034	29.9
107.04946	7.5
107.08600	32.4
109.06511	9.3
109.10169	12.8
111.04455	2.1
111.08067	11.7
113.00027	12.1
113.06001	2.4
115.05518	2.5
117.07021	10.9
119.04962	1.6
119.08588	22.3
121.06499	6.0
121.10148	22.8
123.08061	3.9
123.11718	3.2
125.05978	1.4
125.09649	3.9
129.03340	2.0
129.07054	9.3
131.08571	23.0
133.06497	1.8
133.10130	20.3
135.08058	4.3
135.11676	7.6
137.09669	1.6
139.11234	3.0
145.10103	4.4
147.08080	2.7
147.11699	11.3
149.09619	4.9
149.13263	25.2
151.11172	3.0
153.09128	2.3
155.08618	1.8
157.10139	10.4
159.11703	13.6
161.09615	2.0
161.13295	1.6
163.11247	3.2
163.21211	1.8
165.12787	2.7
169.02614	1.9
173.09663	1.9
175.11165	10.2
176.04686	1.7
177.12756	7.3
181.18787	1.6
185.13301	1.8
189.05460	10.4
191.14404	1.7
193.12267	36.2
195.13771	7.1
201.12799	2.1
205.15718	1.8
211.13289	50.1
227.12888	2.4
229.14302	3.1
249.14838	1.9
263.16040	1.9
267.15918	11.6
269.17404	14.5
269.19693	1.5
275.20142	5.6
304.98663	1.6
309.20459	3.8
309.38495	1.5
343.22754	2.2
349.23755	4.7
367.24609	8.2
369.24606	2.9
387.25317	6.6
399.35001	1.4
435.27252	2.0
443.22382	1.7
443.27960	2.4
461.28864	20.4
479.30127	100.0
480.30618	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
53.03951	4.8
54.18866	0.8
54.47457	0.8
55.01870	5.0
55.05513	22.6
57.03442	9.5
57.07071	2.2
59.04991	0.9
65.03941	3.7
67.05505	61.9
68.05844	1.1
69.03419	3.0
69.07066	20.3
71.01353	0.9
71.05001	6.6
71.56563	1.1
73.02898	1.4
79.05494	51.9
81.03419	33.0
81.07056	78.7
82.07383	0.8
83.04985	14.5
83.08615	25.8
85.02913	17.2
85.06544	4.9
91.05482	45.5
93.07042	52.5
95.04972	21.4
95.08607	25.2
97.02898	3.0
97.06543	11.2
97.10175	3.8
99.04500	0.9
99.08077	3.2
102.48736	1.1
105.04514	1.5
105.07037	28.0
107.04955	6.8
107.08595	28.0
107.09312	1.8
109.06532	4.5
109.10127	6.7
111.04440	2.0
111.08076	11.0
113.06017	1.5
113.09649	1.1
115.05466	1.7
117.07013	9.8
119.07805	1.5
119.08591	18.0
119.09377	1.7
121.06525	4.0
121.10157	18.4
123.08009	4.2
123.11720	3.2
125.09632	3.2
128.06282	1.1
129.07021	11.2
131.08575	19.3
133.06525	2.3
133.09149	1.1
133.10132	16.8
135.04433	1.0
135.08084	2.5
135.11707	7.2
137.09630	2.3
139.11220	1.4
142.07820	2.7
143.08536	1.8
145.06506	1.1
145.10103	3.5
147.08083	2.7
147.11693	12.0
149.09607	4.4
149.13261	21.6
149.14384	1.4
151.11147	1.6
155.08569	1.9
156.03743	1.1
157.10138	10.5
159.11685	10.6
163.11217	1.0
165.12758	2.1
169.10036	1.4
171.11748	1.6
173.13275	0.9
175.11185	10.0
177.12772	4.1
185.13293	1.3
189.11183	1.4
193.12253	34.5
195.13791	11.3
199.14778	1.0
211.13280	43.2
213.14816	1.5
227.12822	1.4
229.14249	1.3
233.15486	1.3
249.14867	1.7
267.15930	10.4
269.17450	8.4
285.17035	1.4
307.28201	6.3
341.24945	1.3
343.22934	1.0
369.24210	3.2
387.25269	4.1
443.28064	2.7
461.29025	20.9
479.30066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94600	2.3
51.69621	2.0
53.03943	7.0
55.01867	4.2
55.05506	23.6
56.96562	4.0
57.03430	16.0
60.57554	1.9
61.97507	2.4
63.79705	2.4
67.05504	73.3
68.65005	1.9
69.03419	4.1
69.07056	20.4
70.97810	3.5
70.98148	3.0
71.04992	9.4
75.72820	2.0
79.05489	48.6
79.45732	2.0
81.03413	40.5
81.07055	83.2
83.04969	14.9
83.08612	29.5
85.02909	21.4
85.06548	4.7
90.09525	2.4
91.05471	45.8
91.06008	2.4
93.07038	63.6
95.04960	35.1
95.08603	24.9
97.06519	10.1
97.10178	6.4
99.08091	4.1
105.07027	29.0
107.04978	7.3
107.08583	29.3
109.06519	6.3
109.10176	8.2
111.04462	2.8
111.08063	13.9
113.05962	3.2
114.79097	2.0
115.05432	3.2
117.07026	10.0
119.08585	17.1
121.06505	2.4
121.10136	24.9
123.08058	4.4
123.11758	3.3
125.09641	2.9
127.07536	2.5
129.06996	8.1
131.08530	20.6
133.10143	15.5
135.11725	8.9
145.10152	4.9
146.10973	2.3
147.08080	2.7
147.11665	14.9
149.09639	5.2
149.13254	29.7
156.11130	2.1
157.09029	3.2
157.10091	14.4
158.55353	2.1
159.11655	11.5
165.12772	2.0
175.11215	8.0
177.01111	1.9
177.12782	4.4
189.05501	11.5
189.11302	2.0
190.03816	2.2
193.12257	43.4
195.13846	8.5
201.12988	2.6
211.13261	51.4
267.15900	12.3
269.17410	13.4
275.96603	2.1
324.11478	2.8
328.28549	2.3
332.68448	2.1
387.25436	6.3
435.27771	3.5
461.29007	23.9
479.30115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.0
53.03943	6.5
55.01864	4.5
55.05511	24.2
55.18744	1.0
55.89372	1.2
56.96561	3.2
57.03440	11.7
57.07070	2.1
59.04989	1.4
61.02922	2.1
61.72226	1.0
62.49884	1.0
65.03932	3.8
67.05507	68.1
68.05849	1.1
69.03432	4.2
69.07077	22.6
71.01342	1.5
71.05005	8.4
79.05497	46.7
81.03421	43.6
81.07059	77.5
83.04988	15.5
83.08624	25.7
83.09119	1.3
85.02908	25.8
85.06540	4.8
91.05483	43.6
92.13184	1.1
93.07049	62.1
95.04972	30.2
95.08608	26.3
97.02888	3.0
97.06541	13.8
97.10184	4.3
99.04436	1.6
99.08099	2.7
105.04536	2.0
105.07037	26.2
107.04956	4.5
107.08594	27.4
109.02859	1.4
109.06525	6.5
109.10173	5.8
111.04488	2.5
111.08076	12.2
113.06031	1.7
115.05457	1.8
117.07008	9.0
119.08593	20.8
121.06516	3.6
121.10155	23.7
123.08134	1.3
123.11752	2.8
125.09662	3.3
128.06221	1.0
129.07021	9.2
131.08578	17.6
131.09412	1.8
131.63994	1.1
133.06512	2.7
133.10139	13.0
135.08049	2.1
135.11678	6.5
137.06017	1.1
137.09694	1.4
139.11229	1.7
140.51289	1.1
142.07787	2.3
145.10161	3.5
147.06961	1.1
147.08081	4.8
147.11700	11.8
149.09634	7.0
149.13258	24.5
151.11243	1.4
157.10138	11.5
159.11690	11.5
162.57199	1.1
163.11258	1.4
165.12790	3.7
173.13214	2.7
175.11189	11.1
177.12758	5.2
185.04814	1.5
189.05647	1.2
189.11247	1.7
193.12253	44.8
195.13841	6.3
211.13297	54.3
213.14854	1.2
222.93159	1.2
255.93318	1.2
267.09088	3.9
267.15887	12.0
269.17459	11.2
285.10123	5.9
285.16925	2.5
293.17679	1.2
295.04135	1.2
324.11679	1.7
341.24802	1.4
343.22720	1.7
349.16772	3.0
351.23184	1.3
356.14999	1.2
365.15125	2.1
369.24405	4.2
387.25323	5.3
405.26105	1.5
443.27701	2.4
461.28845	19.4
479.30093	100.0
480.30341	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2105
Annotation	Rhodamine B
Peak:m/z	Relative Intensity
57.03432	0.5
61.58095	0.4
65.39259	0.3
66.89885	0.4
67.05501	0.8
69.03432	1.0
69.07062	0.7
69.35367	2.7
69.35775	0.6
70.06579	1.0
71.04979	1.0
74.65327	0.5
79.05546	0.5
81.07053	0.9
85.02907	1.8
86.09712	1.7
87.04483	0.5
91.05480	0.7
93.07040	0.7
95.08601	0.5
97.02930	0.9
98.20710	0.4
107.08624	0.7
109.10174	0.5
115.03989	0.4
119.08600	0.4
120.08121	1.5
121.10129	0.6
124.07564	0.9
127.03929	0.5
136.07564	6.3
137.06030	0.7
137.09595	0.5
138.06403	0.4
149.13336	0.5
152.07098	1.6
161.64421	0.5
164.07076	6.5
164.08391	0.5
167.14334	0.9
169.12180	0.6
185.11523	1.2
287.13901	1.7
347.16776	5.4
377.01840	0.5
479.21027	100.0
480.21277	1.2
502.21735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01867	0.4
55.05511	2.1
56.05836	0.5
56.96565	0.3
57.03421	0.7
58.22067	0.2
62.16498	0.2
65.03947	0.3
67.05172	0.3
67.05505	2.6
67.05848	0.3
68.05827	0.6
69.03428	0.5
69.07053	0.8
69.98187	0.4
69.98582	0.4
71.04996	0.5
75.02373	0.2
79.05493	2.8
80.05817	0.6
81.03411	1.0
81.07059	2.9
82.07392	0.4
83.04984	1.0
83.08621	1.1
84.08939	0.2
85.02898	0.3
85.06529	0.3
90.04696	0.2
91.05482	1.8
92.05796	0.3
93.07046	1.4
94.07307	0.2
95.04978	1.0
95.08587	1.0
96.05299	0.3
96.08920	0.2
97.02865	0.3
97.06525	0.8
97.10150	1.4
98.10514	0.4
98.21419	0.3
103.05466	1.6
104.68223	0.2
105.03429	0.3
105.07013	2.1
106.07346	0.3
107.04952	1.2
107.08588	1.5
108.05327	0.3
108.08897	0.3
109.06527	0.9
109.10158	0.4
111.08081	0.2
113.05999	0.3
117.07014	0.7
118.04144	0.6
118.07352	0.2
119.04945	0.2
119.08593	0.9
119.12752	0.2
120.08910	0.3
121.06503	0.9
121.10119	0.6
122.06847	0.2
123.08063	0.4
123.11716	0.2
125.09636	1.5
126.09959	0.5
129.03369	14.5
129.07001	0.4
130.04128	0.2
131.04933	2.6
131.08594	1.1
132.32597	0.2
133.06497	0.3
133.10124	0.7
135.08092	0.5
135.11707	0.4
141.07004	0.3
143.08607	0.3
145.02844	1.0
145.06493	0.5
145.10080	0.6
146.03619	0.6
147.04376	0.3
147.08134	0.3
147.11783	0.4
149.09627	0.3
153.01884	0.3
153.09123	0.2
157.10152	0.2
159.04414	1.7
159.08008	0.4
159.11641	0.3
161.05981	4.9
161.09641	0.3
163.07561	0.3
163.11217	0.2
170.10474	0.2
171.11627	0.3
173.13278	0.3
176.04701	3.9
177.05469	2.3
189.05467	100.0
190.05881	0.4
190.11505	0.3
191.06982	0.4
191.08537	0.4
193.12247	0.6
202.07762	0.3
211.10966	0.2
211.13231	0.3
213.12628	0.3
215.14279	0.3
218.07295	0.3
227.12888	0.4
231.08049	0.2
233.15434	0.3
234.15685	0.3
243.15839	0.3
247.07565	0.3
257.05963	0.2
257.15024	0.2
263.07211	0.3
267.15991	0.3
269.16602	0.2
275.07004	0.3
275.15372	0.4
277.08591	0.2
278.09192	0.2
279.10071	0.2
289.08698	0.9
299.43460	0.2
305.08179	0.2
317.08142	0.6
323.09326	0.3
335.09268	0.3
337.10580	0.4
338.11429	1.3
349.10794	1.9
351.22421	0.5
359.25143	0.3
366.11230	0.2
367.12289	0.2
367.22577	0.3
368.23053	0.6
369.23383	1.8
385.23676	0.6
386.24142	1.1
387.24402	3.1
405.25391	0.6
429.13293	0.4
433.16660	0.3
435.25845	0.2
443.27264	0.6
447.14148	0.3
460.27652	0.4
461.15967	0.3
461.28137	3.6
479.17609	0.5
479.29514	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	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.85052	0.3
53.03937	1.0
55.01857	0.8
57.03434	1.1
59.98003	0.3
61.02917	1.5
65.98391	0.3
66.95657	0.3
69.03425	3.4
69.47083	1.3
69.47499	1.0
71.04991	0.6
72.08133	0.5
73.02906	0.8
79.05487	0.4
81.03422	3.4
81.07050	0.6
82.10015	0.4
85.02904	10.1
85.47520	0.3
86.09687	0.6
87.04424	0.4
91.03954	0.6
91.05472	0.5
92.02608	0.7
92.23690	0.3
93.03408	1.4
93.07001	0.4
95.04955	0.4
97.02881	3.6
97.06486	0.5
99.04433	0.5
105.05353	0.3
107.08602	0.7
109.02881	1.4
111.08110	0.6
121.02856	0.8
126.03159	0.4
127.03910	1.7
133.10089	0.5
139.03886	0.8
145.04944	1.6
147.04375	0.5
151.03893	1.3
153.01823	7.3
173.05923	0.4
177.05521	0.7
193.12286	0.9
201.05472	0.7
203.03355	0.4
217.04953	0.8
218.05919	0.4
228.04150	1.1
229.04930	2.9
245.04500	1.2
246.05232	1.2
257.04471	2.5
260.03256	0.5
267.15964	0.4
273.03867	1.5
274.04706	4.1
284.02927	0.6
285.03909	3.6
285.16888	0.8
302.00754	0.8
302.04218	12.9
317.06561	100.0
318.06766	0.6
341.37073	0.4
479.87164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01867	0.5
55.05509	0.3
55.62860	0.2
57.03424	0.9
59.06117	0.7
61.02934	1.6
67.05493	0.6
68.05042	0.2
69.03435	3.2
69.07076	0.2
69.52945	1.1
69.53365	0.4
70.06580	0.4
71.04994	0.4
73.02911	0.6
73.16702	0.2
77.20176	0.2
79.05489	0.6
81.03423	4.7
81.07050	0.6
83.05009	0.3
83.08606	0.8
84.04475	0.2
85.02905	8.4
86.09718	0.4
87.04459	0.5
89.88638	0.2
91.03956	1.0
91.05472	0.8
92.02618	0.6
93.03413	0.8
93.07048	0.6
95.04980	1.4
95.08621	0.5
97.02904	2.8
97.06496	0.5
98.21497	0.3
98.97603	0.3
99.04465	0.8
105.07025	0.6
107.08589	0.4
109.02888	1.0
109.06519	0.2
109.07608	0.2
109.10149	0.4
110.07198	1.0
111.08064	0.4
115.06320	0.2
117.06995	0.2
119.01723	0.2
119.04911	0.4
119.08569	0.6
120.08131	0.2
121.02879	0.8
121.10117	0.4
126.03128	0.4
127.03933	1.6
129.07019	0.3
131.08560	0.4
133.10149	0.4
136.08705	0.3
137.08238	0.2
139.03951	0.6
145.04959	1.2
145.10118	0.3
147.04393	0.5
147.11647	0.2
149.08189	0.3
151.03931	0.9
151.09785	0.2
153.01836	6.4
157.10135	0.5
163.03972	0.4
164.07115	0.2
164.76855	0.2
165.01833	0.7
170.33899	0.2
175.09810	0.2
175.11201	0.6
177.05421	0.4
179.90486	0.2
189.05540	0.2
193.12244	3.3
201.05495	0.5
203.03455	0.3
211.13387	0.3
214.10872	0.2
217.04956	0.7
218.05795	0.5
228.04179	0.9
229.04947	2.2
231.02853	0.4
235.13074	0.2
239.53941	0.2
245.04465	1.1
246.05193	1.5
257.04434	1.8
261.07635	0.3
267.15912	2.3
273.04080	1.4
274.04724	2.6
284.03290	0.4
285.03940	3.0
285.16971	2.4
287.01926	0.3
302.04221	11.3
309.17032	0.3
317.06570	100.0
318.06839	0.8
323.54404	0.2
329.06577	0.2
359.07535	0.3
384.56592	0.2
429.20816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03939	0.8
53.81812	0.3
55.01853	0.3
55.05515	10.5
57.03440	6.8
57.07076	1.8
62.06076	0.4
65.03933	0.7
67.05507	23.1
69.07072	13.8
70.66708	0.8
71.04967	0.7
71.08625	0.7
77.03867	0.3
79.05498	6.7
81.07059	23.9
83.04974	0.8
83.08158	0.5
83.08622	7.3
85.06530	0.7
89.12028	0.3
91.05491	4.8
93.07045	6.3
95.04967	0.5
95.08609	17.0
97.06537	1.4
97.10175	3.2
98.98447	0.6
99.08071	0.5
105.07036	3.0
107.08591	3.6
109.10153	6.5
111.08107	0.6
111.11689	0.6
119.08591	2.8
120.70260	0.3
121.10149	2.3
123.08068	0.6
123.11713	2.5
124.01583	0.3
125.09670	0.3
133.10129	2.3
135.11702	1.8
136.60687	0.3
137.09583	0.3
137.13264	1.1
145.96088	0.3
147.11685	1.2
149.13275	0.6
151.14832	0.5
153.12866	0.3
161.13274	0.9
163.14844	0.5
165.12779	0.3
175.14801	0.6
198.05223	0.4
216.06308	0.9
245.22687	0.4
262.62082	0.3
263.23843	1.4
279.41907	0.3
306.27927	1.7
337.27368	100.0
338.27869	1.5
460.27524	0.3
478.28879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.01859	2.2
55.05510	14.5
57.03429	5.2
57.07071	2.1
57.64455	1.1
62.06095	29.9
67.05511	33.2
68.05847	1.2
69.07072	12.2
69.50504	8.3
79.05501	12.3
81.03417	2.2
81.07060	28.9
82.07336	1.6
83.04968	2.3
83.08609	6.9
85.02931	1.3
85.06538	1.6
91.05481	8.1
93.07057	14.9
95.04981	1.7
95.08611	21.6
96.62823	1.3
97.06539	2.8
97.10191	3.0
98.06013	1.7
98.98474	9.2
105.07025	4.5
107.08609	7.4
109.06528	1.4
109.10167	8.3
114.43434	1.5
117.07039	1.3
119.08570	4.7
121.10128	6.0
121.19579	1.3
123.11694	3.8
124.01599	3.0
124.77834	1.2
130.02628	1.4
133.10124	4.6
135.11678	4.7
141.70351	1.2
147.11668	4.2
149.13298	2.7
155.01054	6.8
157.10226	1.2
161.13295	2.3
175.14835	1.2
177.12698	1.5
198.05199	1.4
211.13321	1.8
216.06308	3.3
245.22607	1.8
263.23691	6.6
306.27930	23.7
337.27371	100.0
338.27179	1.5
417.23767	1.6
460.28220	6.2
478.28885	12.1
479.29919	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.0
56.96544	0.7
60.84023	0.3
61.02893	0.6
67.97156	0.3
68.98845	0.3
69.03436	1.5
71.04987	0.5
71.44719	0.6
79.75106	0.3
81.03399	0.3
81.06982	0.3
82.98157	0.3
83.08578	0.4
85.02910	2.0
85.85477	0.3
97.02862	1.0
98.97590	0.4
109.02915	0.4
127.03915	0.7
131.58841	0.2
142.06947	0.4
145.05000	0.6
145.26826	0.3
161.58963	0.3
166.01805	0.4
174.10358	2.1
178.09315	0.4
183.04352	0.3
183.10960	1.0
184.02809	0.4
187.09952	0.3
192.12386	0.4
201.05389	0.3
201.12711	1.1
205.62819	1.4
209.15372	0.3
210.13110	0.6
214.63333	3.4
215.06960	0.6
215.13449	0.5
219.13326	2.5
221.81122	0.3
223.63828	3.3
224.13957	0.8
228.13840	11.7
228.64030	1.4
235.14609	0.5
237.14360	26.1
237.64467	3.7
246.14899	100.0
246.65073	13.0
247.11266	0.5
247.15211	0.7
248.65187	0.6
257.65649	0.9
264.13712	0.5
265.12265	0.8
266.66214	0.6
280.42529	0.4
304.70172	0.3
305.57095	0.3
307.71722	0.3
355.18167	1.0
373.19101	0.7
377.01984	0.6
378.02393	0.3
389.22226	0.3
407.23434	0.4
425.24518	0.4
477.33176	14.9
478.33429	22.0
491.29013	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.9
55.01873	13.4
55.05272	3.3
55.05515	52.0
57.03439	13.6
65.03963	2.0
67.05506	53.2
67.47712	2.0
69.03423	7.3
69.07072	16.3
69.78699	10.8
71.04995	6.0
75.87397	2.1
79.05494	59.9
81.03417	71.8
81.07056	49.3
83.04967	13.5
83.08619	38.0
85.02911	6.1
85.06563	4.3
91.05486	47.1
93.07046	32.3
95.04968	31.4
95.08606	21.4
97.02882	5.9
97.06535	7.7
97.10162	45.9
98.20794	4.4
105.07030	35.8
107.04945	31.3
107.08591	29.1
109.06525	9.6
109.10149	12.6
111.08086	10.4
115.05453	3.9
117.07032	19.4
119.04972	4.7
119.08577	23.1
121.06504	34.0
121.07373	2.5
121.10130	10.6
123.04484	2.5
123.08080	8.9
123.11741	2.8
124.22953	2.0
125.06029	3.1
125.09642	34.7
128.06259	2.7
129.07022	23.0
131.04947	5.8
131.08569	23.5
133.06516	12.6
133.10146	13.5
135.08043	7.5
135.11732	3.0
141.07057	4.7
142.07808	2.7
143.08595	8.1
143.10698	2.1
145.06470	17.8
145.10150	11.1
147.04413	2.1
147.08061	10.0
147.11670	12.4
149.05966	2.3
149.09625	7.7
149.13217	3.8
153.09135	7.7
153.12756	3.5
155.08562	5.6
157.06522	2.9
157.10121	13.0
159.08102	5.9
159.11697	3.9
161.05965	3.2
161.09694	4.0
161.13290	2.2
163.11198	6.2
167.08609	3.7
169.10158	4.8
171.08058	5.0
171.10165	2.6
171.11688	6.1
173.06349	2.2
173.09599	6.0
175.11203	12.6
177.12756	3.4
179.08633	2.0
181.10188	2.8
182.10992	2.1
185.09680	4.5
185.13255	5.0
187.11275	2.6
187.14799	2.5
189.11272	18.9
189.12770	4.5
193.12239	33.6
195.11708	2.2
197.13179	2.7
199.11214	5.6
205.12230	4.9
211.11440	3.0
211.13249	11.0
215.14276	4.5
217.12192	2.8
227.12675	18.1
231.13863	3.3
233.15326	14.7
241.14366	4.9
249.14915	5.4
253.15688	2.4
255.13672	2.8
257.15271	3.0
267.15918	52.1
273.14880	12.8
287.16531	2.4
339.23187	7.3
341.21185	2.5
349.21658	14.0
357.24368	9.1
365.23456	2.6
367.22647	43.0
385.23712	73.8
385.28476	4.8
403.24884	20.6
415.24802	2.3
423.25601	3.0
433.25885	8.7
441.26346	6.7
459.27423	100.0
477.28555	76.5
477.35437	2.7
482.45563	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.285
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
54.07911	1.7
55.01866	9.1
55.05516	36.4
55.85736	2.2
57.03448	12.2
67.05181	2.9
67.05510	41.4
69.03424	5.0
69.07077	11.6
70.52604	6.2
79.05070	3.7
79.05498	48.5
81.03427	48.6
81.07061	32.8
83.04993	9.6
83.08624	23.8
85.02908	2.9
91.05495	37.9
93.07046	28.3
95.04982	29.4
95.08617	18.8
97.06543	3.4
97.10178	29.6
103.05441	3.3
105.03406	2.5
105.07044	25.0
107.04960	24.6
107.08588	21.4
109.06519	8.6
109.10172	11.4
111.08090	5.1
115.05468	3.7
117.06994	10.3
119.08588	20.1
121.06515	32.2
121.10133	6.7
123.08064	7.2
125.09637	22.9
129.07030	16.5
131.04955	4.9
131.08569	16.4
133.06497	8.4
133.10135	11.0
135.08069	13.5
141.06970	5.6
143.08591	9.5
143.09561	2.2
145.06508	18.9
145.10109	8.8
147.08090	9.5
147.11705	8.6
149.09622	7.4
149.13370	2.1
153.09109	5.9
155.08537	5.7
157.06555	5.3
157.10126	11.3
159.08023	5.6
159.11693	4.7
161.09598	3.7
161.13278	2.6
163.11205	3.7
165.12807	3.0
169.10101	4.6
171.08069	3.7
171.10242	2.2
171.11690	6.8
173.09605	5.1
173.13208	3.4
175.11214	8.3
181.10234	2.3
183.11650	3.1
185.13289	4.5
187.11221	2.4
187.14798	2.5
189.11209	13.4
189.12766	4.2
193.12267	25.6
197.09697	2.9
197.13237	3.6
199.11116	5.9
211.13242	2.7
213.12819	4.8
215.10741	2.0
215.14267	6.5
217.12268	2.1
227.12747	18.1
233.15320	15.3
241.14255	2.6
243.13795	2.5
245.15515	4.2
249.14830	3.8
267.15945	46.5
273.14856	8.4
287.16531	3.0
323.19937	3.8
339.23236	6.6
341.17477	2.3
341.21100	8.9
349.21527	11.3
357.24194	10.9
367.22720	34.4
385.23761	52.5
403.24808	27.3
415.24777	7.2
433.25919	24.1
441.26422	5.1
459.27469	100.0
460.27765	3.5
477.28519	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	477.2849
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
53.03941	6.9
55.01857	9.3
55.05271	3.8
55.05512	46.0
55.63817	2.6
57.03449	12.9
67.05505	41.7
68.05688	2.5
68.07957	2.3
69.03419	5.3
69.07056	10.2
71.04974	3.8
75.89951	2.4
76.47043	2.3
79.05491	46.7
81.03426	47.6
81.07057	33.3
83.04975	8.7
83.08621	25.9
91.05487	37.8
93.06545	3.3
93.07053	28.5
95.04974	24.4
95.08606	17.6
97.06520	7.5
97.10183	32.2
99.40771	2.4
105.04514	2.6
105.07036	27.2
107.04960	23.2
107.08597	24.6
109.06522	8.3
109.10155	8.8
111.08044	5.8
115.05481	2.6
117.07024	12.8
119.08571	16.4
121.06514	27.9
121.10098	11.9
123.08058	7.9
125.09634	25.7
128.06192	2.9
129.07030	18.0
131.04907	6.0
131.08591	16.7
133.06462	9.2
133.10121	10.3
135.08043	10.3
135.11736	4.2
141.06981	4.3
142.07748	2.8
143.08568	6.7
145.06512	17.6
145.10103	9.6
145.51172	2.8
147.04306	3.0
147.08012	9.6
147.11670	11.0
149.09621	5.4
153.09074	6.8
155.08563	7.0
157.06494	3.2
157.10132	12.6
159.08052	4.7
159.11740	5.0
161.05965	3.5
161.09563	5.3
163.11179	4.8
169.10124	6.7
171.07990	3.2
171.10216	4.8
171.11688	7.8
173.09612	3.3
175.11185	8.9
177.12828	2.7
181.10051	2.4
185.13162	5.0
187.11162	4.6
189.11243	11.4
189.12796	3.5
193.12247	21.6
195.11729	4.6
199.11221	4.5
203.14378	3.4
215.14325	4.4
217.12166	3.1
227.12633	11.9
233.15421	14.4
245.15363	2.9
247.13405	3.4
249.14902	4.4
255.13876	4.7
264.42560	2.4
264.67282	2.9
267.15915	45.4
269.15247	2.6
273.14755	11.8
316.35785	2.7
339.23544	5.4
341.20959	7.1
347.40421	2.7
349.21481	9.3
357.24136	8.9
367.22736	32.3
375.24905	3.1
385.23703	55.4
403.24850	21.3
415.24588	7.7
433.25842	23.3
441.26364	5.2
459.27426	100.0
460.27747	4.1
477.22134	4.4
477.28433	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02952	4.2
53.03194	5.5
53.03935	8.6
53.64733	2.4
55.01866	14.0
55.05269	3.2
55.05512	53.1
57.03424	11.0
59.04992	2.2
67.05508	53.8
69.03423	7.7
69.07076	17.7
70.95084	4.5
71.04995	6.3
79.05493	60.4
81.03419	68.2
81.07060	50.4
83.04990	12.1
83.08626	36.6
85.02917	7.6
85.06531	2.6
91.05481	53.7
93.07050	36.4
95.04970	31.0
95.08598	25.2
97.02915	2.5
97.06534	6.6
97.10159	38.2
105.07039	36.7
106.75552	2.3
107.04954	33.0
107.08599	27.6
109.06494	11.2
109.10177	12.6
111.04449	2.9
111.08078	7.9
115.05427	4.2
117.07034	14.4
119.04978	5.0
119.08594	29.1
121.06514	24.3
121.10107	12.2
123.08062	7.1
123.11726	4.2
125.09640	31.6
128.06236	3.1
129.07027	19.8
131.04955	4.3
131.08585	19.0
133.06509	10.5
133.10110	13.6
135.08069	10.5
135.11693	4.1
141.06984	5.2
143.08565	7.9
145.06473	16.2
145.10101	8.0
147.04401	2.5
147.08084	11.1
147.11699	16.3
149.09631	9.7
153.09097	6.2
153.12700	2.7
155.08533	6.8
157.06564	5.5
157.10133	22.8
159.08073	5.2
159.11740	4.3
161.09592	4.4
163.11209	4.6
167.08691	2.7
169.10193	6.9
171.08112	6.1
171.10211	4.2
171.11673	7.6
173.09662	6.9
173.13214	2.5
175.11162	14.0
178.70215	2.5
179.08595	2.5
181.10222	2.7
185.09636	4.6
187.11224	6.7
189.11250	15.7
189.12756	5.5
191.53952	2.6
193.12234	49.4
197.13277	4.1
199.11163	4.5
199.14827	3.0
205.12300	2.4
211.11456	3.8
211.13231	15.4
213.12567	2.4
215.14383	5.3
217.12314	4.6
223.11429	2.3
227.12611	11.9
231.13953	3.1
233.15382	15.6
235.13425	2.8
241.14369	3.6
249.14851	4.3
255.13815	3.2
267.15897	45.6
273.14911	16.7
291.15875	3.5
331.20505	2.5
339.23215	7.6
341.21252	4.3
349.21570	16.4
357.24341	12.3
367.22662	40.9
385.23767	71.0
386.24277	3.2
403.24704	25.0
415.24817	3.5
433.25888	11.9
441.26529	7.8
459.27408	100.0
477.28494	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	12.2
55.05514	45.8
57.03428	12.7
57.07076	1.8
65.03957	3.2
67.05503	37.3
68.88259	2.0
69.03423	9.4
69.07064	14.3
70.90626	3.2
71.04995	4.5
79.05496	49.7
81.03416	52.0
81.07051	38.6
81.36026	1.9
83.04978	11.5
83.08621	27.2
85.02918	3.6
85.06547	3.8
85.76279	1.7
87.59066	1.7
91.05475	35.8
93.05779	2.0
93.07043	29.3
95.04961	28.0
95.08605	18.8
97.06518	4.3
97.10172	33.9
103.05463	3.0
105.07031	27.3
107.04953	25.8
107.08588	23.5
109.06517	13.3
109.10173	15.2
111.04429	2.6
111.08061	6.6
115.05461	2.9
117.07011	14.7
119.04919	3.8
119.08578	18.4
121.06507	27.3
121.10168	8.5
123.04449	2.1
123.08032	9.8
123.11697	3.2
125.09622	31.8
128.06186	2.0
129.06998	17.0
131.04919	3.7
131.08589	18.3
133.06490	9.4
133.10141	8.7
135.04422	2.4
135.08052	12.3
135.11679	4.4
137.05984	2.4
141.06979	4.5
142.07814	2.3
143.08580	7.4
145.06488	19.9
145.10109	10.9
147.04364	2.7
147.08081	10.7
147.11732	9.3
149.05893	2.2
149.09599	5.2
151.07559	5.4
153.09097	5.5
155.08560	4.7
157.06563	3.7
157.10146	10.7
159.08072	5.6
159.11642	3.1
161.09570	2.7
163.11198	5.0
165.12753	2.6
167.14307	2.5
169.10126	5.0
169.12230	3.9
171.07970	2.9
171.11703	7.5
173.09671	5.1
175.11217	7.7
181.10120	2.5
183.11726	3.9
185.09572	2.3
185.13268	3.9
187.11223	3.8
189.11211	14.1
189.12794	4.5
193.12248	22.4
195.11642	4.5
197.09569	2.2
197.13342	3.1
199.11235	5.1
205.12219	3.5
209.13245	2.7
211.16992	5.5
213.12648	2.5
215.14404	4.4
217.12285	2.7
223.13292	2.8
225.12738	2.8
227.12730	18.8
229.18004	16.3
231.13826	3.2
233.15352	14.3
237.12608	3.4
239.14444	2.3
241.14331	3.6
245.15512	2.1
249.14870	5.3
255.13782	3.1
257.15338	2.1
259.13229	2.6
267.15924	42.2
273.14749	11.3
275.16400	2.3
323.20053	2.6
339.23141	7.6
341.21222	7.3
349.21692	13.0
357.24094	9.9
367.22656	34.8
385.23730	58.1
403.24802	26.7
415.24771	5.3
433.25827	23.3
441.26212	5.8
459.27411	100.0
477.28467	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10464	0.9
66.03604	0.8
69.03440	2.6
70.06603	1.7
71.04983	0.7
71.54913	1.5
72.08134	0.9
74.37054	0.9
81.03432	1.2
81.07080	1.2
81.15093	0.8
84.04496	0.9
85.02906	3.8
86.09719	1.6
87.04483	1.1
89.03918	1.3
91.05489	1.5
97.02927	1.6
98.97573	1.1
112.04150	0.9
115.03931	0.9
116.98649	0.8
119.04958	1.9
123.04450	1.0
127.03977	1.3
132.10258	1.3
132.62456	0.8
135.04471	1.9
147.04411	3.9
148.04776	1.0
153.13860	0.9
160.09081	0.8
162.54111	0.8
163.03926	9.4
165.05588	0.8
175.04103	1.0
183.05171	1.1
189.05440	1.5
196.96811	0.9
213.00558	1.0
237.02817	1.4
239.00160	0.9
262.11603	2.0
287.11060	2.8
297.04419	2.0
332.35809	0.9
335.09879	1.1
351.46402	1.0
419.15265	71.9
477.14368	5.3
477.19516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
61.71210	0.2
67.05484	0.3
70.84010	0.3
76.70087	0.2
78.94872	0.2
79.05489	0.3
79.68980	0.2
81.03413	0.3
81.07046	0.4
84.08147	0.8
86.09712	0.4
91.05491	2.1
93.07050	1.0
95.04969	0.3
97.02903	0.2
98.06053	0.4
98.45757	0.2
98.97596	0.2
103.05459	0.4
104.81420	0.2
105.07030	2.8
109.10144	0.2
115.05439	0.2
117.06995	0.3
118.06545	3.4
119.07326	8.7
120.08113	1.0
129.10226	0.7
132.08086	0.2
134.09654	100.0
135.09967	0.2
135.11661	0.2
146.05989	0.8
147.04453	0.2
153.12808	0.2
164.07103	0.3
169.66646	0.2
169.70410	0.2
174.05530	1.1
188.75806	0.2
190.05368	0.3
192.06586	0.9
195.13544	0.2
214.61719	0.2
215.07162	0.2
263.85999	0.1
283.15384	0.4
325.15506	2.1
326.17172	0.2
476.76218	0.2
477.20126	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	477.1033
Annotation	Isoscutellarein 8-O-beta-D-glucuronide 6''-methyl ester
Peak:m/z	Relative Intensity
53.03955	1.6
55.01874	1.9
55.05501	1.1
57.03430	1.5
59.04990	0.6
61.02937	1.2
65.03960	0.3
65.13504	0.3
67.05499	1.5
68.99789	0.7
69.03092	0.4
69.03435	6.9
69.07050	0.6
71.01360	0.3
71.04971	0.8
71.54007	0.4
73.02930	2.0
79.05500	1.3
81.03415	5.2
81.07051	1.1
83.04945	0.5
83.08604	0.7
85.02911	6.1
87.04472	0.3
89.02396	1.8
91.05473	1.5
91.26100	0.2
92.45140	0.2
93.07043	0.9
95.04945	0.5
95.08607	0.8
97.02890	2.4
97.06532	0.4
97.10159	0.7
98.97576	0.5
99.04478	1.9
101.02393	1.5
105.03429	0.5
105.07030	0.7
107.04943	1.4
107.08576	1.0
108.40620	0.2
109.02879	3.5
109.06484	0.4
109.10149	0.8
111.00777	0.6
111.08106	0.3
115.03941	0.3
117.07045	0.3
119.03413	0.5
119.08595	0.6
121.02876	2.4
121.06522	0.6
121.10138	0.7
123.04432	0.3
125.09637	1.1
127.03924	5.3
129.06993	0.5
131.08511	0.5
133.02834	0.4
133.04955	0.4
133.06519	0.4
133.10139	0.5
134.09677	2.1
135.08064	0.3
137.02327	0.6
141.07057	0.3
143.08597	0.4
145.04953	0.7
145.06531	0.4
145.10161	0.5
147.04416	1.2
153.01836	3.5
153.08961	0.3
155.08516	0.3
157.06445	0.6
157.10094	0.8
159.08028	0.3
163.03937	0.4
165.01846	1.6
165.09163	0.4
167.06970	0.3
171.11618	0.4
172.12030	0.3
173.04477	0.6
183.02919	0.7
185.06041	0.4
189.05501	0.5
189.11249	0.4
199.14787	0.7
207.02931	0.4
213.05473	1.0
231.06499	0.6
241.04993	0.8
241.09653	0.3
252.09805	0.3
255.11343	1.1
258.05276	0.9
259.05963	0.3
259.09689	0.5
267.15738	0.3
283.10672	0.3
283.15515	0.4
287.05511	100.0
288.05817	0.6
367.22684	0.9
385.23618	1.5
441.26190	0.3
459.27402	1.2
476.31424	1.5
477.14362	0.3
477.31808	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
51.32773	0.3
52.82349	0.2
53.03931	1.3
55.01853	0.4
55.05516	7.0
57.03448	6.2
57.07066	0.6
63.59760	0.3
65.03922	1.0
67.05512	25.0
67.96471	0.3
69.06736	0.5
69.07076	6.7
71.04999	0.6
79.05500	13.9
81.03438	0.4
81.07065	22.3
83.04974	0.9
83.08620	2.8
85.06545	0.6
87.85719	0.2
91.04918	0.3
91.05490	6.7
93.07053	15.5
95.04969	1.2
95.08620	19.2
97.06516	0.8
97.10188	0.9
98.06013	0.3
98.21535	0.7
98.98448	0.4
101.61544	0.4
105.07035	4.5
107.08608	6.4
109.06513	0.6
109.10163	5.9
111.08078	0.5
113.27254	0.3
117.07030	1.5
119.08593	3.1
121.06536	0.4
121.10160	5.3
123.08074	0.5
123.11732	1.3
124.01692	0.3
125.09559	0.3
131.08560	2.1
133.10156	1.8
135.08112	0.6
135.11719	2.9
137.09636	0.4
137.13271	0.4
145.10104	1.4
147.11700	1.0
149.13254	1.1
159.11673	0.6
161.13269	0.8
163.14795	0.3
173.13245	0.4
187.14848	0.4
200.58710	0.3
201.16435	0.3
216.06317	0.6
240.99298	0.3
243.21016	0.4
261.22086	0.7
288.73541	0.3
304.26279	1.7
335.25821	100.0
336.26199	0.8
370.52771	0.3
458.26398	0.7
476.27451	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24800	0.4
51.61546	0.3
54.79005	0.4
55.05512	2.4
56.05012	0.4
57.07079	1.8
59.04983	0.5
65.03915	0.4
67.05507	5.9
69.03441	0.6
69.07067	4.9
69.37306	3.0
70.06587	1.6
71.04995	0.5
73.10198	0.4
74.06062	0.4
79.05498	1.7
81.03422	0.8
81.07056	4.8
83.04982	0.4
83.08598	1.4
84.08105	0.5
85.02908	1.0
85.06526	0.9
86.09684	0.7
91.05490	4.9
93.07047	3.8
95.08608	16.9
97.02870	1.0
98.97572	0.6
99.04441	1.3
105.01849	0.5
105.03360	0.5
105.07037	9.4
107.08598	4.2
109.02882	0.5
109.06497	0.5
109.10162	19.0
117.07028	1.4
119.08584	36.0
120.08116	0.6
121.10150	2.6
123.08060	1.0
123.11699	1.3
127.03878	0.8
131.08583	1.0
133.10135	41.4
134.10901	0.7
135.11699	8.6
136.07593	1.3
137.09622	7.8
145.10097	2.6
147.04370	0.4
147.11694	11.1
149.13260	2.6
151.11252	0.6
151.14818	3.9
154.08624	1.1
160.12486	1.5
163.03906	0.8
173.13258	1.2
175.14828	100.0
176.15164	1.1
193.15880	31.2
227.16273	0.4
228.16844	0.8
229.15486	0.5
246.16592	0.4
301.07034	0.9
476.21118	0.6
476.32742	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01862	1.4
57.03437	22.5
59.05008	5.2
60.04509	2.8
61.02918	2.3
69.03429	74.4
69.63034	1.2
69.63424	4.1
71.01357	0.6
71.04966	0.8
73.02916	8.3
75.04486	1.1
81.03420	2.7
82.28094	0.7
83.04996	0.8
85.02906	56.8
87.04469	49.7
90.68508	0.6
91.03962	1.5
91.05486	0.9
97.02894	58.6
99.04463	2.1
101.02412	0.8
103.03967	0.7
105.07027	7.2
109.02863	2.6
115.03931	89.8
124.05207	11.3
127.03925	7.3
129.07047	0.9
133.04967	100.0
133.06395	5.1
135.08035	0.7
137.05975	16.5
144.06569	1.7
145.04953	10.6
150.07632	11.4
157.06537	1.4
162.07657	2.6
163.06035	2.4
165.09117	40.5
169.04980	2.2
177.05528	1.0
177.09157	2.4
180.08662	1.3
187.05997	0.8
189.09058	3.9
201.09074	3.4
207.10182	1.7
223.06032	1.3
229.07144	0.8
230.22290	0.7
231.10211	1.9
241.07057	3.8
243.10168	2.7
259.08160	4.4
261.11249	2.5
277.09146	1.7
295.10236	1.6
364.56693	0.7
428.05447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19492	0.6
55.01871	2.0
55.05509	0.6
57.03156	1.2
57.03437	22.6
59.04996	4.4
60.04523	3.2
61.02925	2.3
65.92631	0.6
69.03431	82.9
69.44812	3.8
71.01371	1.1
71.04974	1.1
71.48501	0.6
73.02925	4.3
74.51359	0.6
75.04486	1.6
75.16441	0.7
79.05494	1.4
81.03417	4.6
81.07052	0.8
83.04974	0.7
85.02908	62.7
87.04470	58.2
91.03970	1.1
91.05479	1.7
96.04501	0.6
97.02892	65.5
97.06557	0.8
98.06045	0.8
98.20796	1.1
98.97564	0.9
99.04458	2.2
103.03954	1.0
103.05426	0.7
105.03406	1.0
105.07035	8.0
107.04928	0.6
109.02889	3.3
111.04395	1.0
115.03932	90.9
117.07037	0.6
119.08559	0.8
123.04424	1.3
124.05210	11.6
127.03933	7.5
129.07002	0.9
131.04884	0.7
133.04967	100.0
133.06398	5.9
133.10162	1.0
134.09634	0.9
137.05978	16.6
139.03836	0.8
143.03419	0.6
144.06528	2.2
145.04970	9.6
145.06520	1.0
147.04384	0.9
147.08104	0.7
150.07626	9.8
151.03853	1.0
157.06479	1.9
162.07588	1.9
163.03897	0.7
163.06010	1.9
165.09117	35.7
166.06152	0.6
169.04948	1.9
171.08041	0.9
174.06734	0.6
175.06137	0.9
175.07504	0.6
177.05501	1.1
177.09053	1.6
180.08649	1.9
181.04915	0.9
187.06013	1.3
189.09129	3.8
199.07669	0.7
201.09123	3.9
207.10085	3.1
215.06960	1.2
215.10628	1.1
223.05896	1.1
229.07056	0.6
231.10129	1.7
241.07042	2.5
243.10123	2.9
259.07880	3.4
261.11258	1.9
277.09106	2.6
278.87549	0.6
283.08322	0.6
295.10098	1.8
312.12811	0.8
353.33514	0.6
363.39011	0.6
476.19934	0.7
476.33054	1.3
501.15759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06943	0.6
55.01859	0.6
55.05520	0.7
56.96553	1.4
57.03437	8.8
59.04985	1.5
60.04525	2.1
61.02936	0.9
62.38773	0.7
65.03942	1.3
67.05503	0.8
69.03430	27.4
70.06591	2.6
71.04983	1.1
71.16981	1.5
71.17329	0.8
72.08149	1.7
73.02915	1.2
74.45941	0.7
75.23976	0.7
79.05470	0.8
81.03423	1.1
81.07042	1.3
84.04491	1.0
84.08121	1.0
85.02906	21.7
86.09698	2.1
87.04475	19.0
91.05470	4.6
95.04967	1.3
95.06084	1.3
97.02892	26.2
98.97578	2.5
99.04440	1.5
103.70471	0.7
107.04927	0.7
109.02863	1.4
115.03935	32.5
116.98653	0.7
119.04943	17.0
121.10104	1.2
123.04429	1.1
127.03922	3.1
128.98555	0.9
133.04970	33.3
145.04947	3.4
147.04414	100.0
148.04822	0.9
150.07654	5.9
152.07079	1.8
159.04305	0.7
161.05957	1.6
163.03928	0.7
163.06062	0.7
165.05479	54.2
171.04442	2.5
177.05522	2.2
185.06113	0.9
187.06152	1.0
189.05495	7.8
197.06023	0.8
207.06544	10.5
240.67688	0.7
243.06656	3.9
259.08145	2.1
261.07584	2.6
272.05322	1.1
277.09039	0.9
279.08621	7.1
280.10776	1.3
288.10562	1.6
288.60742	0.9
289.11169	2.3
295.10339	1.2
296.05197	1.1
309.09775	2.0
314.06204	0.7
469.40292	0.8
476.17709	4.4
476.25702	2.9
486.16159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.01860	4.3
55.05510	17.8
57.03423	5.0
57.07075	5.0
59.04976	3.3
67.05506	38.5
69.03423	17.2
69.07078	19.2
69.62059	19.8
71.04984	6.1
74.61758	2.7
78.25321	3.2
79.05492	28.4
80.56760	2.5
81.03397	5.1
81.07057	59.9
83.04995	37.6
83.08625	17.4
85.02891	7.9
85.06542	7.7
90.91582	3.0
91.05479	39.0
93.07054	60.2
95.04961	9.4
95.08611	100.0
97.06512	9.8
97.10155	7.0
103.05412	3.3
105.07033	61.1
107.04922	3.0
107.08588	77.6
109.06549	16.3
109.10160	37.3
111.08069	16.8
113.06014	7.1
115.05461	3.1
117.06982	15.1
119.07808	4.9
119.08582	63.7
121.06499	6.8
121.10146	42.9
123.08052	12.1
123.11697	11.1
125.09609	11.1
127.07557	67.2
128.06245	3.4
129.06996	10.9
129.09146	23.3
131.08549	31.4
133.06442	5.5
133.10133	53.7
135.08057	8.5
135.11691	28.1
137.09612	8.7
142.07762	3.6
143.08553	21.7
144.09212	4.1
145.10121	45.9
147.08020	7.1
147.11670	46.6
149.09566	13.0
149.13260	15.6
153.09068	4.3
155.08560	6.1
157.10115	24.5
159.11703	45.4
161.09619	9.5
161.13269	29.5
163.11110	8.2
163.14816	7.8
165.09074	4.1
165.12796	3.1
167.10695	7.2
168.68558	2.8
169.08572	11.9
169.10117	8.5
171.11705	13.8
173.13309	31.9
175.11151	10.8
175.14836	22.8
177.12787	5.6
177.16391	4.0
179.10678	5.4
181.12202	9.0
183.10182	3.2
183.11700	9.0
185.13232	23.7
187.11125	4.2
187.14822	19.9
189.05484	21.1
189.12720	10.1
189.16405	6.8
191.14359	6.7
193.12314	4.9
195.11786	3.4
197.13284	9.9
199.14893	17.6
201.12709	9.4
201.16368	10.1
203.14275	15.5
205.15897	6.5
207.13824	8.5
209.15283	5.9
211.14848	4.9
213.16388	11.9
215.14311	3.6
215.18004	4.7
217.15909	10.3
219.13811	5.1
219.17485	3.9
221.15378	15.2
223.16885	6.5
225.16344	4.8
229.15875	3.9
231.17566	5.4
233.15309	5.7
235.16882	13.6
239.06966	3.7
243.17528	3.9
247.16910	5.7
249.18549	7.5
261.18433	5.1
269.11487	4.3
295.23883	3.8
309.22037	3.1
311.23651	7.1
313.25040	3.5
315.23047	3.8
329.24768	24.8
365.05161	3.1
377.10248	6.4
383.21753	4.2
403.29910	8.1
409.30887	3.8
421.30948	34.7
427.32181	5.2
439.32074	59.1
443.14429	5.2
457.16388	5.2
457.33130	85.4
475.17197	11.9
475.26733	9.4
475.33960	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	475.3421
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
53.03938	5.3
55.01857	8.1
55.05515	15.3
57.07052	3.2
67.05505	33.9
69.03423	7.4
69.07080	14.4
69.38671	5.2
69.39075	19.4
79.05497	27.5
81.03416	4.7
81.06662	3.8
81.07068	44.2
83.04959	5.6
83.08608	12.2
85.02907	5.1
85.06535	9.1
87.04458	3.3
91.05482	27.4
93.07055	57.9
95.04975	8.6
95.08615	100.0
97.06521	7.0
97.10156	4.1
105.07032	52.2
107.04933	6.4
107.08598	64.0
109.06517	6.8
109.10166	29.3
111.08106	5.9
117.07024	19.5
119.08589	70.8
121.06456	3.5
121.10152	41.1
123.08080	8.7
123.11695	9.9
125.09695	4.2
127.07619	4.9
129.06958	12.2
130.07834	4.6
131.08569	31.9
133.06514	3.0
133.10129	45.8
135.08038	9.1
135.11699	31.7
137.13309	4.2
142.07797	7.2
143.08578	22.5
144.09331	4.3
145.10129	78.0
147.08018	4.6
147.11681	35.1
149.09601	11.2
149.13309	18.2
151.11186	3.7
155.08519	5.8
157.10182	19.4
159.11678	45.5
161.09618	11.5
161.13266	27.3
163.11172	21.6
163.14810	6.4
165.09085	4.0
167.10704	8.8
169.08649	7.0
169.10081	6.3
171.11734	16.1
173.09616	4.0
173.13275	23.0
175.11195	12.5
175.14867	14.0
175.86079	3.0
177.09166	3.2
177.12724	13.8
179.10703	3.3
181.12259	7.2
183.11696	11.3
185.13295	19.6
187.14862	16.3
189.12726	9.4
189.16402	9.7
191.10709	3.9
191.14233	8.6
193.12332	4.1
193.15845	3.2
195.13721	7.0
197.13248	10.9
199.14825	12.2
201.12691	4.0
201.16344	7.6
203.14308	16.7
203.17996	4.3
205.15891	7.8
207.13914	5.0
209.15323	6.3
211.14798	5.4
213.16377	9.4
215.14377	7.2
215.18069	3.4
217.15831	9.4
221.15361	12.9
223.16982	9.0
225.16325	3.0
227.18045	4.9
229.15984	4.3
231.17474	7.2
233.15381	6.5
235.16934	12.9
239.17902	4.3
247.17009	4.1
249.18506	8.1
253.19432	4.7
255.17352	3.5
295.24197	3.8
304.26395	5.8
309.22165	4.0
329.24683	9.4
331.26257	13.1
341.24582	3.9
345.25681	3.3
355.26276	4.7
363.26706	10.1
369.27649	6.8
371.29318	4.6
381.27911	41.8
383.22345	5.0
399.23914	3.6
399.28940	45.7
403.29855	7.0
409.30618	3.2
417.29956	23.1
421.31000	23.1
427.32071	4.6
439.32083	50.0
457.26794	4.1
457.33136	68.8
475.26831	15.3
475.33945	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	475.3419
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
53.03927	4.7
54.69685	3.9
55.01849	5.2
55.05504	20.9
57.03427	6.3
67.05505	38.6
69.03431	55.7
69.07061	22.7
71.04976	8.9
71.56268	4.3
71.56724	5.0
77.20396	4.3
79.05489	35.7
81.03420	11.6
81.07056	60.3
83.04966	13.8
83.08609	13.1
85.06561	6.6
87.21165	5.2
91.05467	37.4
93.07050	58.4
95.04959	12.9
95.08604	100.0
97.06544	9.2
97.10170	8.5
99.08095	5.8
105.07022	81.2
107.04927	4.9
107.08587	65.9
109.06502	11.8
109.10152	37.3
113.05986	22.2
117.07008	11.9
119.08576	63.8
121.10155	37.6
123.08044	12.2
123.11711	10.0
127.07539	13.9
129.07027	11.3
131.08540	29.8
133.06483	6.3
133.10118	55.7
135.08029	8.1
135.11699	24.4
143.08575	18.4
145.10095	35.5
147.08061	6.4
147.11681	70.6
149.09581	10.1
149.13242	16.1
151.61131	4.0
152.59145	3.9
153.09181	4.4
155.08507	5.2
157.10130	21.6
159.11673	27.3
161.05930	4.5
161.09555	9.0
161.13226	33.4
163.11243	8.6
163.14801	7.1
169.08675	7.5
169.10152	10.2
171.11667	18.8
173.09811	4.3
173.13252	22.0
175.11157	12.1
175.14807	15.1
177.12762	7.0
179.10756	6.2
181.12193	7.3
183.11681	8.7
185.13286	24.3
185.48450	4.1
187.14830	18.0
189.05492	21.2
189.12810	5.9
189.16331	8.7
193.12212	10.4
195.13774	5.8
197.13188	5.2
199.14771	14.7
201.12714	4.9
201.16370	10.2
203.14334	15.6
207.13805	7.5
209.15448	5.9
211.14955	5.1
215.14275	7.6
217.15923	12.9
221.15424	15.8
223.16985	4.9
227.12724	5.3
231.17555	7.8
233.15137	5.2
235.16916	17.7
247.16893	9.2
249.18497	6.7
289.14514	5.4
311.23587	7.8
329.24738	37.6
331.26291	11.1
347.25751	10.0
383.22195	21.1
383.29517	11.5
401.23065	9.2
403.29776	5.4
421.31052	35.3
427.94370	4.3
439.32153	61.2
457.26105	12.6
457.33130	83.6
475.27045	41.6
475.33371	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	475.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56626	0.9
53.03946	3.3
55.01867	2.1
55.05508	7.1
57.03436	17.8
57.07076	39.1
61.02928	42.7
64.72636	1.0
67.05507	16.4
69.03435	19.8
69.07068	9.2
71.01357	2.9
71.04980	2.9
71.08633	32.3
73.02917	25.0
73.95004	1.2
75.04460	2.2
75.56020	1.0
79.05494	3.6
81.03425	13.0
81.07064	17.8
83.04961	3.0
83.08629	12.9
85.02905	45.8
85.10188	18.7
87.04478	2.1
89.06046	1.1
91.03956	32.1
91.05479	3.4
93.07050	2.4
95.04980	1.1
95.08605	26.6
97.02892	38.9
97.03523	1.9
97.10182	6.4
98.21543	1.7
99.04454	9.0
101.02388	10.3
103.03957	5.6
105.07038	1.4
107.04919	1.6
107.08596	3.0
109.02876	10.5
109.06538	1.4
109.10151	14.3
111.04428	1.8
111.11710	1.8
115.03932	3.3
116.27941	1.2
117.05460	2.8
119.08591	2.5
121.10139	1.5
123.11726	6.0
125.13294	1.5
127.03916	19.3
129.05472	4.4
133.10120	1.1
135.11705	1.3
137.13242	3.4
145.04970	7.8
145.10097	1.5
159.06520	2.2
170.65129	1.0
183.06557	6.0
189.05560	2.5
191.60159	1.2
201.07573	4.0
221.22617	3.0
227.12772	1.3
239.23703	32.3
257.24792	2.8
313.27365	100.0
314.27789	2.0
341.26947	3.5
355.28326	2.2
383.22186	1.8
383.27875	2.1
400.40955	1.0
457.31613	5.1
475.26920	2.7
475.32779	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	475.2517
Annotation	Val Asn Asp Lys
Peak:m/z	Relative Intensity
57.83864	0.4
64.35493	0.3
67.05521	0.4
69.03432	0.6
70.06587	0.3
70.92907	0.3
70.99282	0.4
70.99620	0.5
71.05003	0.3
71.93199	0.3
81.03446	0.5
81.07053	0.6
85.02902	1.0
86.09711	5.0
91.05478	0.5
93.07032	0.7
95.08589	0.5
95.23949	0.4
97.02902	0.9
97.06544	0.3
98.97591	0.8
99.08104	1.0
100.09827	0.3
105.07037	0.6
107.08595	0.5
109.06496	0.4
110.97544	0.4
117.03390	1.0
127.03959	0.5
138.09132	0.7
145.02844	2.5
147.04436	0.3
149.05977	0.6
151.07486	0.3
156.10214	0.3
158.89641	0.3
158.99750	0.4
163.03886	0.6
163.11182	0.4
166.08621	0.4
177.05461	5.9
179.07076	1.5
193.15898	0.6
197.08044	0.4
201.12341	2.1
203.05273	3.0
209.15485	0.6
229.11813	2.1
247.13029	1.0
249.02969	0.4
271.69388	0.4
280.10721	1.3
283.12320	0.3
295.18808	11.0
296.19644	0.4
313.19827	2.4
475.25232	100.0
476.25598	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.269
Annotation	Lucidenic acid I
Peak:m/z	Relative Intensity
53.03940	2.8
55.01880	5.9
55.05514	18.2
55.83760	0.8
57.03439	6.0
64.19674	0.9
65.03946	1.9
67.05182	1.7
67.05511	22.7
69.03428	1.6
69.07059	3.8
69.45893	7.3
71.04966	1.6
71.96319	0.9
79.05494	20.9
81.03408	8.1
81.06590	1.4
81.07056	18.2
83.04979	3.1
83.08618	9.3
91.05483	14.6
93.07046	12.7
95.04972	9.6
95.08608	9.6
97.06512	2.3
97.10170	12.9
98.21581	1.8
105.03378	1.4
105.07027	9.9
106.61783	0.9
107.04949	9.5
107.08579	8.4
109.02879	3.6
109.06531	2.4
109.10166	6.9
111.08084	1.3
115.05437	2.2
117.07034	7.7
119.04926	3.1
119.08598	6.7
121.02834	2.0
121.06517	5.8
121.10174	2.8
123.04427	2.3
123.08075	2.6
125.02361	2.0
125.09633	7.1
128.06213	1.2
129.07011	7.5
131.04930	3.4
131.08557	9.2
133.06482	5.7
133.10130	3.2
135.04440	2.6
135.08023	3.4
135.11664	1.7
137.06047	2.2
141.06970	2.6
143.08562	4.5
145.06497	8.8
145.10136	7.7
147.04439	4.9
147.08052	4.2
147.11682	1.7
149.06007	1.6
149.09624	3.9
153.09114	2.3
155.08583	4.6
155.10646	1.2
157.06511	4.2
157.10133	3.3
159.08055	4.3
159.11696	1.9
160.05199	3.4
161.05989	19.9
161.09610	2.1
163.07565	1.3
163.11221	5.7
165.07021	1.7
167.08580	2.2
169.06569	2.4
169.10165	4.1
171.08067	3.4
171.11771	2.4
173.06018	4.3
173.09602	4.9
175.07510	2.8
175.11201	2.3
179.08624	1.0
181.10156	1.6
183.08102	2.8
183.11696	1.6
185.09674	2.4
185.13319	1.4
187.07584	3.8
187.11281	1.9
189.09239	2.0
189.11269	3.0
191.10631	2.0
193.10187	2.2
193.12294	2.8
195.08139	1.3
195.11679	1.8
197.09622	1.7
199.11220	1.5
201.09123	1.2
203.14264	1.2
205.12299	1.2
207.11778	1.4
211.11250	2.9
213.12770	2.4
219.09932	1.1
225.12764	2.4
229.12268	1.5
231.13841	3.8
237.11084	1.3
239.10701	1.2
243.13821	4.2
253.12306	1.3
257.15338	1.4
259.13312	1.1
269.15393	2.8
271.13336	4.5
273.14941	4.7
285.14719	1.4
287.16534	1.5
289.14304	13.2
291.42212	1.1
303.15857	2.2
323.16437	1.0
337.21536	2.4
347.20197	1.2
355.22620	5.9
365.21121	10.9
373.23825	1.5
383.22171	54.0
401.23218	22.8
419.24246	4.2
421.23752	2.8
431.24435	5.2
439.24786	7.0
457.25873	49.1
475.26938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01872	1.1
55.05508	4.2
57.07082	1.0
61.02919	1.7
67.05518	1.3
69.03433	7.9
69.07056	2.5
69.93642	0.7
70.99684	1.7
71.00025	1.3
71.04992	2.0
73.02917	1.1
75.41458	0.9
81.03416	4.9
81.07050	3.7
83.01344	3.1
83.04959	2.6
83.08610	1.6
84.50909	1.0
85.02912	16.9
85.06538	1.3
87.00811	5.2
91.05477	6.0
93.07030	3.8
95.08600	2.8
97.02881	2.7
97.06530	3.5
99.04465	4.8
99.08095	13.7
101.06009	3.7
103.05466	2.0
105.01872	3.0
105.07029	1.9
107.08586	7.4
109.02868	5.1
109.06509	3.0
109.10158	4.0
111.08079	1.7
113.06021	0.9
118.06549	7.1
119.06823	1.3
119.08582	1.5
120.08118	9.4
121.08440	3.2
121.10159	10.5
123.08044	1.3
123.11738	1.5
125.09620	4.3
127.03905	8.9
129.01906	1.5
131.04933	1.6
131.08582	1.8
133.10133	6.9
135.08075	2.4
135.11717	2.1
136.07568	1.6
137.09576	5.0
137.13202	1.1
139.07555	3.1
139.11176	3.5
145.04924	2.7
146.05995	16.2
147.06351	7.1
147.11612	1.0
149.09630	12.9
149.13269	4.6
151.11180	6.6
153.09154	2.9
159.02934	1.7
163.14844	4.3
173.13252	6.2
181.15785	4.3
191.14340	12.1
209.15369	100.0
227.16429	18.5
231.05077	1.9
266.13715	1.9
271.11407	1.0
293.12924	2.1
294.13092	3.4
336.15063	0.9
475.21384	8.1
475.32556	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01872	1.1
55.05508	4.2
57.07082	1.0
61.02919	1.7
67.05518	1.3
69.03433	7.9
69.07056	2.5
69.93642	0.7
70.99684	1.7
71.00025	1.3
71.04992	2.0
73.02917	1.1
75.41458	0.9
81.03416	4.9
81.07050	3.7
83.01344	3.1
83.04959	2.6
83.08610	1.6
84.50909	1.0
85.02912	16.9
85.06538	1.3
87.00811	5.2
91.05477	6.0
93.07030	3.8
95.08600	2.8
97.02881	2.7
97.06530	3.5
99.04465	4.8
99.08095	13.7
101.06009	3.7
103.05466	2.0
105.01872	3.0
105.07029	1.9
107.08586	7.4
109.02868	5.1
109.06509	3.0
109.10158	4.0
111.08079	1.7
113.06021	0.9
118.06549	7.1
119.06823	1.3
119.08582	1.5
120.08118	9.4
121.08440	3.2
121.10159	10.5
123.08044	1.3
123.11738	1.5
125.09620	4.3
127.03905	8.9
129.01906	1.5
131.04933	1.6
131.08582	1.8
133.10133	6.9
135.08075	2.4
135.11717	2.1
136.07568	1.6
137.09576	5.0
137.13202	1.1
139.07555	3.1
139.11176	3.5
145.04924	2.7
146.05995	16.2
147.06351	7.1
147.11612	1.0
149.09630	12.9
149.13269	4.6
151.11180	6.6
153.09154	2.9
159.02934	1.7
163.14844	4.3
173.13252	6.2
181.15785	4.3
191.14340	12.1
209.15369	100.0
227.16429	18.5
231.05077	1.9
266.13715	1.9
271.11407	1.0
293.12924	2.1
294.13092	3.4
336.15063	0.9
475.21384	8.1
475.32556	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01872	1.1
55.05508	4.2
57.07082	1.0
61.02919	1.7
67.05518	1.3
69.03433	7.9
69.07056	2.5
69.93642	0.7
70.99684	1.7
71.00025	1.3
71.04992	2.0
73.02917	1.1
75.41458	0.9
81.03416	4.9
81.07050	3.7
83.01344	3.1
83.04959	2.6
83.08610	1.6
84.50909	1.0
85.02912	16.9
85.06538	1.3
87.00811	5.2
91.05477	6.0
93.07030	3.8
95.08600	2.8
97.02881	2.7
97.06530	3.5
99.04465	4.8
99.08095	13.7
101.06009	3.7
103.05466	2.0
105.01872	3.0
105.07029	1.9
107.08586	7.4
109.02868	5.1
109.06509	3.0
109.10158	4.0
111.08079	1.7
113.06021	0.9
118.06549	7.1
119.06823	1.3
119.08582	1.5
120.08118	9.4
121.08440	3.2
121.10159	10.5
123.08044	1.3
123.11738	1.5
125.09620	4.3
127.03905	8.9
129.01906	1.5
131.04933	1.6
131.08582	1.8
133.10133	6.9
135.08075	2.4
135.11717	2.1
136.07568	1.6
137.09576	5.0
137.13202	1.1
139.07555	3.1
139.11176	3.5
145.04924	2.7
146.05995	16.2
147.06351	7.1
147.11612	1.0
149.09630	12.9
149.13269	4.6
151.11180	6.6
153.09154	2.9
159.02934	1.7
163.14844	4.3
173.13252	6.2
181.15785	4.3
191.14340	12.1
209.15369	100.0
227.16429	18.5
231.05077	1.9
266.13715	1.9
271.11407	1.0
293.12924	2.1
294.13092	3.4
336.15063	0.9
475.21384	8.1
475.32556	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71867	0.5
55.05503	0.8
55.31588	0.6
56.96574	1.1
57.03451	1.1
57.42710	0.6
61.02888	0.7
67.05516	1.1
68.27316	0.7
69.03424	2.9
69.07086	0.9
70.06615	1.5
71.04997	0.8
71.55153	0.9
72.08172	1.3
73.02944	1.1
79.05522	1.7
81.03435	2.9
81.07054	4.0
83.05005	1.1
84.04501	0.5
85.02914	3.8
85.06580	1.3
86.09734	2.6
87.04528	0.5
89.03912	2.8
89.06055	1.7
91.05528	1.7
93.07078	2.4
95.04972	0.9
95.08638	1.8
96.08147	0.7
97.02927	2.5
98.97560	3.8
99.04504	0.9
99.08100	6.0
105.07040	3.9
107.08632	2.0
109.02911	1.6
109.06549	1.7
109.10194	1.5
110.09714	0.9
110.97620	2.0
115.03934	0.8
116.98643	1.4
117.03379	8.6
119.08640	0.8
120.08120	1.2
121.02937	0.8
121.06498	0.9
121.10186	1.6
123.08130	1.0
127.04012	1.7
128.98665	1.0
131.08611	0.6
133.06549	2.9
133.10188	2.2
134.03723	1.2
135.04437	1.4
135.11707	1.4
137.09642	0.7
138.09210	1.4
141.63608	0.6
145.02852	25.3
147.04471	1.3
149.05978	4.5
151.07581	2.9
153.09166	0.6
155.00284	0.7
158.99663	1.0
161.05949	3.1
163.03946	1.5
163.11227	0.6
166.08722	2.1
167.07117	0.6
170.99657	1.3
173.13255	1.0
175.14951	0.8
177.05482	55.7
179.07031	15.2
181.12227	0.7
184.02679	0.6
189.00703	0.9
191.14426	0.6
193.15855	3.9
195.06613	2.5
196.65068	0.6
197.08086	4.8
203.05295	2.9
204.09641	0.6
209.15479	1.3
212.07057	0.6
215.09302	0.8
231.01808	0.7
237.02905	0.7
249.02843	4.9
266.10587	0.8
280.10889	0.8
281.11441	5.6
291.03894	4.3
292.18173	0.6
295.18814	10.0
313.19983	2.6
321.09949	1.1
339.10751	3.2
439.16196	1.4
457.17355	0.8
474.72043	0.6
475.25354	100.0
476.25864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71867	0.5
55.05503	0.8
55.31588	0.6
56.96574	1.1
57.03451	1.1
57.42710	0.6
61.02888	0.7
67.05516	1.1
68.27316	0.7
69.03424	2.9
69.07086	0.9
70.06615	1.5
71.04997	0.8
71.55153	0.9
72.08172	1.3
73.02944	1.1
79.05522	1.7
81.03435	2.9
81.07054	4.0
83.05005	1.1
84.04501	0.5
85.02914	3.8
85.06580	1.3
86.09734	2.6
87.04528	0.5
89.03912	2.8
89.06055	1.7
91.05528	1.7
93.07078	2.4
95.04972	0.9
95.08638	1.8
96.08147	0.7
97.02927	2.5
98.97560	3.8
99.04504	0.9
99.08100	6.0
105.07040	3.9
107.08632	2.0
109.02911	1.6
109.06549	1.7
109.10194	1.5
110.09714	0.9
110.97620	2.0
115.03934	0.8
116.98643	1.4
117.03379	8.6
119.08640	0.8
120.08120	1.2
121.02937	0.8
121.06498	0.9
121.10186	1.6
123.08130	1.0
127.04012	1.7
128.98665	1.0
131.08611	0.6
133.06549	2.9
133.10188	2.2
134.03723	1.2
135.04437	1.4
135.11707	1.4
137.09642	0.7
138.09210	1.4
141.63608	0.6
145.02852	25.3
147.04471	1.3
149.05978	4.5
151.07581	2.9
153.09166	0.6
155.00284	0.7
158.99663	1.0
161.05949	3.1
163.03946	1.5
163.11227	0.6
166.08722	2.1
167.07117	0.6
170.99657	1.3
173.13255	1.0
175.14951	0.8
177.05482	55.7
179.07031	15.2
181.12227	0.7
184.02679	0.6
189.00703	0.9
191.14426	0.6
193.15855	3.9
195.06613	2.5
196.65068	0.6
197.08086	4.8
203.05295	2.9
204.09641	0.6
209.15479	1.3
212.07057	0.6
215.09302	0.8
231.01808	0.7
237.02905	0.7
249.02843	4.9
266.10587	0.8
280.10889	0.8
281.11441	5.6
291.03894	4.3
292.18173	0.6
295.18814	10.0
313.19983	2.6
321.09949	1.1
339.10751	3.2
439.16196	1.4
457.17355	0.8
474.72043	0.6
475.25354	100.0
476.25864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06578	1.8
71.55796	1.3
72.08135	1.2
84.08155	0.9
86.09707	1.1
89.84403	0.5
111.05570	3.6
117.45329	0.6
119.04951	0.6
120.04465	2.2
126.06665	1.0
132.04454	23.3
132.34248	0.7
134.06032	4.5
137.04675	1.2
144.12898	0.8
147.04431	0.8
151.06146	8.1
194.06749	3.8
202.09735	1.8
216.11409	0.7
230.09206	1.3
242.09271	4.7
255.08759	0.7
257.10284	4.4
259.11914	9.3
284.11432	4.7
302.12476	13.4
327.11865	3.3
345.13058	100.0
346.13300	1.8
430.62460	0.7
456.16345	1.9
474.17355	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	474.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.2
57.03439	7.8
57.06831	0.6
57.07074	6.4
59.04993	0.9
60.04530	0.6
61.02921	1.3
63.20077	0.4
69.03432	15.6
69.98737	0.9
69.99133	1.3
70.06604	0.6
73.02923	9.0
81.03434	1.1
83.08615	2.5
85.02908	12.6
86.09702	1.8
87.04464	9.4
89.06031	21.0
91.05483	0.5
97.02894	14.7
98.20927	0.7
99.04447	0.8
101.09658	8.6
107.07069	23.6
109.02901	0.7
115.03930	16.7
117.65380	0.5
127.03924	2.4
133.04964	12.0
145.04964	2.3
147.04375	1.6
150.07661	1.1
163.13297	100.0
171.78435	0.5
237.88904	0.4
240.03795	0.9
241.07121	0.9
259.08252	1.0
297.03741	0.4
382.50369	0.5
474.20316	3.1
474.23813	8.1
474.30844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3626
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
55.05506	17.6
65.03942	4.0
67.05511	23.1
69.07073	28.3
79.05488	18.6
81.07056	67.0
83.04975	4.5
83.08624	16.7
85.55379	3.4
91.05476	24.7
92.26949	3.6
93.07042	53.2
94.25520	3.5
95.04983	6.9
95.08607	100.0
97.06517	5.4
97.10168	9.3
98.20612	7.5
99.52835	4.0
105.07034	50.6
106.77248	3.4
107.04958	5.1
107.08591	88.0
109.10161	63.8
113.09676	3.5
117.06999	6.4
119.08578	86.5
121.10136	88.8
123.08076	5.8
123.11739	22.4
125.09621	7.9
128.06232	4.0
131.08556	30.6
133.10127	73.2
135.11690	54.7
137.09521	5.0
137.13268	6.4
143.08546	9.4
145.10124	38.8
147.11687	43.8
149.13242	26.7
157.10126	5.4
159.08015	4.5
159.11702	30.4
161.13246	35.2
163.14818	45.3
167.66158	4.0
171.11723	4.2
173.13287	24.8
175.14793	24.9
177.16414	25.0
179.14296	4.8
183.11618	4.7
185.13214	5.2
187.14839	88.3
189.16402	40.1
191.17952	88.6
191.19606	5.6
192.18314	3.7
199.14880	5.6
201.16350	44.9
203.17952	54.6
207.17433	9.0
215.14288	4.3
215.18066	7.5
217.19492	27.2
219.17546	9.1
221.19072	7.4
227.17947	7.7
229.16255	4.6
229.19687	4.7
231.21069	4.8
237.18501	6.4
243.53992	3.9
247.16922	6.4
275.55783	3.7
302.24667	4.4
355.30011	4.7
381.20480	8.6
391.33734	18.0
409.34659	50.5
411.36340	19.5
427.35675	34.2
437.34482	18.7
455.35196	71.0
473.14496	26.4
473.25546	15.9
473.36124	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	473.3627
Annotation	HEDERAGENIN
Peak:m/z	Relative Intensity
52.71264	3.5
55.01895	4.5
55.05510	18.1
59.72491	3.8
67.05508	36.9
69.03433	20.9
69.07071	24.2
69.33163	37.0
70.13020	4.0
75.11514	3.5
79.05489	26.6
81.07060	58.8
83.04978	7.3
83.08631	13.4
85.06538	9.7
90.85316	3.7
91.05486	38.3
93.07042	52.2
95.04910	4.7
95.07990	5.6
95.08606	95.9
97.06516	8.8
97.10156	4.4
99.08072	13.2
105.07037	79.4
106.28968	4.0
107.08595	93.7
108.89694	4.3
109.06538	7.1
109.10164	76.1
111.08047	4.6
113.06033	7.6
117.07010	16.3
119.08582	100.0
121.06535	6.1
121.10142	59.7
123.08062	6.9
123.11674	20.6
123.88742	4.3
127.07549	9.4
129.06998	7.5
131.08568	42.5
133.10132	69.8
135.08054	5.6
135.11702	38.9
137.13292	5.8
143.08578	16.6
144.09129	3.6
145.10132	49.8
147.07986	8.6
147.11676	75.0
149.09735	6.4
149.13231	26.3
153.09137	4.8
155.08554	6.9
156.09306	4.3
157.10133	14.7
159.11684	47.8
161.09596	7.9
161.13255	37.5
163.07541	4.9
163.11267	5.1
163.14856	19.8
169.10150	6.0
171.11691	19.8
173.13301	33.8
175.11191	7.4
175.14859	16.3
177.09079	6.8
177.16400	5.8
179.10664	5.4
185.13272	15.4
187.11249	5.5
187.14833	46.0
189.12770	6.5
189.16412	16.9
191.14404	7.7
191.17957	79.3
197.13304	12.2
199.14844	14.3
201.12776	11.5
201.16386	44.9
203.17993	32.0
207.13773	8.9
213.16400	5.2
215.14450	7.3
215.18034	11.0
217.16008	5.7
217.19597	21.0
219.13893	7.9
219.17455	8.8
221.15340	8.4
223.04538	4.2
227.18039	6.6
229.19484	5.0
231.13698	6.1
231.20999	5.6
233.15427	15.1
245.15375	5.4
247.16968	9.6
267.77628	4.0
306.90393	3.9
327.23196	13.0
329.24963	5.2
331.75595	4.4
355.26306	11.6
381.27872	5.4
391.33902	5.4
399.29169	4.5
404.69034	4.6
409.34821	33.6
419.29453	11.7
427.35965	5.9
437.30518	17.6
455.36145	45.7
473.31702	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	473.363
Annotation	HEDERAGENIN
Peak:m/z	Relative Intensity
53.03936	4.1
55.05514	9.8
56.96560	5.9
57.03423	5.9
57.07056	2.6
61.02933	11.3
61.97844	2.1
65.18739	1.9
67.05511	18.2
69.03411	5.8
69.07080	13.3
70.59776	3.2
70.60123	3.3
71.05001	3.1
73.02908	5.7
79.05492	19.6
81.03402	7.7
81.07059	32.8
83.04951	5.4
83.08617	11.2
85.02892	11.3
91.03945	5.6
91.05486	14.4
93.07046	30.4
93.65466	2.2
95.08614	55.5
97.02905	11.1
97.10149	3.4
98.97609	4.8
101.02402	1.8
105.07019	25.6
106.73470	2.3
107.08595	53.9
109.06543	2.2
109.10159	25.3
111.08036	4.8
113.45809	2.0
117.06999	2.8
119.08588	32.6
121.10150	37.3
123.08061	2.0
123.11681	6.7
125.09614	2.8
127.03863	3.6
131.08537	9.6
133.10132	33.7
135.08070	3.3
135.11700	21.0
137.09595	3.2
143.08537	3.9
145.10132	21.0
147.11708	19.5
149.09561	2.9
149.13252	10.0
151.11124	2.2
157.10121	4.1
159.11714	13.7
161.13269	15.0
163.11183	20.3
163.14803	9.0
167.10675	2.3
171.11617	3.0
173.13234	7.5
175.14812	21.4
177.16411	26.1
179.14369	3.3
185.13277	2.8
187.14822	22.7
189.16385	42.4
191.17909	5.2
199.14769	3.1
201.16338	10.6
203.17975	31.3
205.15889	100.0
205.19144	3.7
205.19505	4.6
207.17377	15.7
213.16472	2.0
215.17935	5.6
217.07487	2.0
217.15845	3.0
217.19371	2.5
221.15421	2.2
223.06444	3.1
235.16922	4.3
241.07465	6.7
243.08952	2.4
247.16983	4.0
249.18642	10.6
259.08521	6.2
267.09027	8.4
285.10068	11.5
295.24316	3.5
311.10721	4.3
311.25937	4.1
313.25198	7.5
315.10941	8.4
324.11444	7.8
324.61389	4.3
325.10263	3.2
329.24554	3.2
337.27289	2.5
350.16644	3.3
359.97879	1.9
391.33624	4.6
409.34695	41.4
419.32809	2.1
427.35529	5.6
437.34268	21.6
455.23029	9.0
455.35382	13.3
455.73846	2.1
464.23590	2.2
473.36456	3.0
499.32489	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3623
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03927	2.5
54.59911	1.5
55.01865	4.4
55.05505	14.1
57.03430	1.8
57.07067	2.6
59.60419	1.5
65.03941	3.5
67.05134	2.5
67.05500	38.9
69.00238	1.8
69.03408	2.4
69.07067	17.5
71.04980	4.8
79.05487	29.2
81.03437	2.1
81.07053	59.3
82.31010	1.7
83.04988	2.3
83.08602	11.8
85.02889	3.5
85.06520	3.4
91.05473	32.9
93.07038	67.5
95.04959	5.1
95.08602	100.0
97.06530	4.1
97.10175	4.1
98.77818	1.9
99.08118	3.0
103.19389	1.7
103.96254	1.8
105.04546	1.5
105.07026	56.4
107.08590	66.7
109.06509	6.4
109.10156	62.2
109.10916	2.3
111.08074	10.2
113.09655	3.2
117.07000	10.7
119.08573	59.0
121.06523	3.5
121.10143	49.6
123.08038	10.2
123.11714	11.4
125.09652	5.1
127.11213	2.1
129.07001	6.4
129.09099	2.1
131.08574	25.6
133.06445	2.6
133.10124	43.4
135.08040	5.4
135.11687	29.3
137.09573	4.8
139.07553	1.8
143.08562	13.7
144.09370	3.5
145.10118	46.0
146.10873	1.9
147.08047	4.6
147.11685	38.7
149.09653	8.9
149.13245	21.3
151.11087	3.6
153.09084	5.1
155.08521	3.3
157.10159	12.9
159.11682	38.7
161.09610	6.7
161.13248	25.2
163.07413	2.4
163.11189	6.0
163.14859	8.7
165.09137	2.5
165.12677	2.5
167.10672	6.6
169.08603	9.2
169.10112	4.3
171.11687	11.7
173.13251	23.5
175.11243	10.6
175.14806	13.6
177.12755	5.2
177.16325	4.2
179.10663	2.3
181.12234	7.1
183.10170	2.1
183.11633	2.9
185.13336	10.5
187.14828	16.0
189.12729	4.6
189.16382	10.5
191.14297	4.4
191.17911	1.8
193.12277	5.0
193.15825	2.3
195.11748	3.5
195.13675	3.2
197.13271	2.9
199.14803	13.8
201.12712	3.1
201.16379	22.1
203.14313	5.8
203.17924	8.6
205.12276	2.1
205.15868	3.8
207.13834	5.9
209.13402	3.3
209.15419	7.1
211.14833	4.4
213.16394	7.4
215.14391	3.2
215.17996	13.1
217.15846	6.3
217.19560	2.9
219.13846	3.7
219.17445	7.9
221.15395	9.5
223.16985	3.1
225.16472	2.0
227.17897	3.3
229.19464	5.2
231.17383	4.9
233.15356	4.6
233.19016	5.6
235.16869	8.7
243.20917	2.1
247.16937	2.8
249.18443	4.6
261.18579	3.3
281.22528	2.1
283.20395	1.9
289.21567	2.1
311.23676	5.3
313.25143	2.3
315.23370	2.3
317.24802	2.4
327.26749	2.9
329.24744	23.9
331.26416	3.0
347.25821	8.8
355.26309	2.6
381.27786	3.3
395.29358	2.4
397.31409	2.6
401.31607	1.9
419.33063	7.6
425.33932	5.9
437.34137	35.8
443.35205	3.5
455.35214	63.5
473.30106	2.5
473.36389	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30412	3.6
53.03949	3.8
54.09536	3.1
55.05520	22.0
57.03426	6.6
57.07061	4.1
66.71395	3.5
67.05513	34.6
69.03429	7.0
69.07067	31.1
71.04971	5.0
71.56023	7.1
75.38800	3.0
79.05499	30.0
81.03399	6.0
81.06594	4.4
81.07057	75.4
83.04971	8.5
83.08624	14.1
85.06560	5.0
91.05477	37.0
93.07043	69.1
95.04996	11.5
95.08614	93.7
97.06522	8.3
97.10184	9.3
99.08067	3.5
103.05466	3.5
105.06394	6.3
105.07038	67.6
107.04955	5.2
107.08596	92.2
109.06509	11.8
109.10167	54.4
111.08085	6.9
117.07021	12.2
119.08583	100.0
121.06538	8.0
121.09335	7.3
121.10150	93.4
123.08064	10.9
123.11735	31.3
125.09656	7.1
127.07579	4.3
129.07025	8.6
129.45030	3.2
131.08583	27.6
133.06450	5.1
133.10129	86.6
135.08029	9.4
135.11699	48.4
137.09637	6.4
137.13252	5.4
141.06880	4.2
143.08556	17.4
145.10135	48.6
147.07916	4.1
147.11703	49.7
149.09608	8.4
149.13235	24.4
153.09111	7.6
155.08604	5.7
157.10110	19.1
158.10878	5.4
159.08060	5.3
159.11694	44.5
161.09627	5.6
161.13275	38.3
163.07549	4.9
163.11189	10.7
163.14809	34.6
165.12782	10.4
168.09471	3.3
169.10129	7.8
171.11717	12.7
173.09642	6.1
173.13257	33.5
175.11212	6.0
175.14880	23.3
177.12798	7.3
177.16367	15.1
178.54694	3.4
179.10762	3.7
179.14246	7.4
183.11719	6.0
185.13289	13.9
187.11252	4.6
187.14835	83.2
189.09062	7.3
189.12793	5.4
189.16422	33.6
191.14352	7.6
191.17970	62.4
193.12245	4.6
195.11795	3.8
197.13341	5.2
199.14845	7.5
201.12749	6.0
201.16402	32.8
203.10785	3.5
203.14337	7.1
203.17989	29.3
205.19472	4.5
207.17458	7.6
209.13290	4.0
209.60300	3.6
211.14769	4.1
211.66750	3.9
213.16380	10.2
214.16879	3.7
215.14348	5.8
215.18045	8.5
217.15839	6.9
217.19434	17.6
219.13789	13.0
219.17369	6.5
221.13380	4.4
221.15361	8.4
221.18982	6.7
227.14391	4.6
227.17961	9.4
229.19579	6.5
231.13855	6.1
231.21114	8.7
233.15472	8.6
233.19051	6.0
235.17079	4.7
237.18509	4.6
243.21049	4.3
245.12012	4.0
247.16982	18.1
247.20613	4.0
256.45428	4.1
355.26169	7.1
363.26901	4.9
381.20465	12.9
381.27893	24.8
391.33511	14.1
399.29044	6.2
409.34793	51.5
411.36362	13.0
419.29544	6.2
427.36148	18.6
437.30273	10.7
455.35507	55.6
473.14032	10.1
473.24536	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	473.3262
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
53.03941	4.2
55.01862	3.2
55.05506	12.0
55.89362	2.6
56.96560	5.5
61.02902	4.5
65.03925	2.9
67.05504	33.9
69.03085	3.7
69.03429	52.9
69.07064	13.0
69.85544	2.4
70.86588	7.3
71.04958	4.0
73.02888	3.4
79.05488	31.4
81.03401	3.5
81.06586	3.6
81.07053	56.6
83.04957	6.1
83.08620	3.3
85.02883	5.3
85.06542	5.3
91.03934	3.6
91.05486	41.1
93.07041	56.1
95.04970	6.1
95.08607	100.0
97.02838	5.3
97.06496	8.8
97.10168	2.5
99.08068	4.7
99.19241	2.7
101.02359	4.1
101.56493	2.8
105.07030	74.4
107.08592	60.5
109.06491	8.4
109.10145	27.8
111.08107	3.9
113.06014	21.1
115.05402	3.4
117.07008	13.9
119.08576	80.7
121.06508	5.6
121.10140	31.6
123.08054	7.2
123.11680	6.7
125.05985	2.9
125.09638	3.0
127.03874	3.0
127.07571	12.8
128.06197	3.9
129.06973	10.5
130.07770	2.9
131.07736	3.4
131.08571	43.0
131.75304	2.4
133.06435	3.2
133.10123	56.9
135.08020	7.0
135.11694	19.6
136.93097	3.9
137.09622	4.5
142.07784	4.4
143.08559	20.8
145.10117	59.1
147.08022	9.4
147.11685	61.2
149.09586	8.5
149.13280	13.4
153.09099	3.8
154.94160	9.7
155.08514	10.8
156.09361	5.0
157.10129	25.0
158.10934	3.4
159.08046	4.0
159.11688	46.1
161.09579	7.8
161.13239	30.3
163.11194	5.9
163.14792	7.1
165.09122	5.3
167.07034	3.7
167.10672	3.7
169.08795	3.4
169.10130	10.5
171.11682	22.4
172.95193	9.3
173.09648	4.0
173.13258	42.5
175.11183	8.7
175.14761	14.5
177.12715	3.8
177.16321	3.5
179.10597	3.5
183.11652	9.7
185.13231	21.3
187.11134	5.2
187.14792	21.6
189.12706	8.8
189.16367	9.7
190.96236	3.1
191.14265	5.6
191.17899	3.0
193.12204	5.6
195.11777	3.8
197.13158	13.3
199.14835	13.8
201.12759	11.6
201.16350	11.2
203.14349	10.8
203.17935	6.3
205.12251	3.6
205.15894	3.7
207.13737	6.2
211.14784	6.7
213.12726	4.5
213.16273	5.0
215.14296	10.9
215.17915	3.3
217.15903	8.5
219.13753	11.4
221.15395	14.5
225.16304	3.7
227.17860	3.1
229.15820	6.6
231.13811	6.1
233.15349	22.6
233.18974	2.5
235.16942	10.1
243.09041	2.4
247.16962	10.5
255.10216	2.7
259.08472	3.1
259.16766	2.5
267.08902	6.0
285.09985	6.1
291.21030	4.0
293.22620	3.1
309.21881	3.1
311.23538	2.6
324.11264	4.7
324.61566	5.7
327.23239	21.3
329.24655	8.6
341.24792	2.6
345.24182	7.4
355.68887	2.4
379.26553	3.9
381.27844	7.8
399.29047	4.5
401.28366	4.3
409.30295	3.5
409.34921	4.4
413.30515	3.3
419.29312	20.7
427.32175	11.1
437.30316	44.1
455.17755	2.7
455.31482	50.2
473.19559	10.2
473.26230	4.1
473.32590	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91354	0.4
62.98598	0.4
69.03424	0.5
69.07052	0.4
70.75385	0.4
71.55829	0.5
72.08154	2.3
78.78089	0.4
79.05499	0.4
82.80363	0.4
83.14735	0.4
85.02905	0.5
86.09706	3.5
86.77418	0.4
91.05490	0.7
93.07049	1.3
95.08604	0.4
103.28727	0.4
105.07041	0.8
109.02866	0.4
119.08565	0.7
121.10201	1.0
123.08026	0.6
125.09686	0.4
147.04489	0.4
149.09630	0.9
161.13257	0.6
163.03940	1.1
184.01231	0.7
185.16534	0.6
189.12836	0.5
197.04250	1.3
207.13838	1.3
213.15868	0.4
215.05348	0.5
261.14447	0.9
281.07724	0.6
299.08932	5.7
307.16214	0.5
307.19641	0.5
411.14191	1.2
411.23328	0.5
427.13681	6.6
455.13147	16.1
473.14218	100.0
473.20825	4.4
474.14636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3269
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
53.03930	5.3
53.26607	1.8
55.01867	5.2
55.05513	16.1
56.96557	2.2
57.03431	3.7
57.07100	2.8
61.02908	2.1
62.45570	1.8
65.03934	2.4
67.05181	3.2
67.05507	42.2
69.03434	39.0
69.03815	2.5
69.07068	17.1
69.23760	18.2
69.60600	1.9
71.04997	4.4
73.02919	2.2
78.07147	1.7
79.05500	32.9
81.03420	8.3
81.06591	3.9
81.07059	68.1
83.04986	11.4
83.08617	8.7
85.02895	4.5
85.06532	8.1
91.05489	38.1
93.07044	63.1
93.07648	3.2
95.04969	8.4
95.08611	100.0
97.06522	8.0
97.10135	4.1
99.04439	2.3
99.08068	3.9
103.05473	3.1
105.07036	80.0
107.04925	2.0
107.07874	4.0
107.08596	60.0
109.06535	11.0
109.10159	34.8
111.08076	9.9
113.05988	11.8
113.09688	2.5
117.07010	15.2
119.08583	67.8
120.08922	2.2
121.06518	5.8
121.09332	3.8
121.10146	41.5
123.08086	12.4
123.11691	9.7
125.05988	2.4
125.09634	3.8
127.07550	10.2
127.11143	2.3
128.06184	2.6
129.06999	9.7
129.09111	3.7
131.04967	1.9
131.08577	42.6
133.06548	3.6
133.10138	53.2
135.08070	7.6
135.10742	2.4
135.11705	22.9
137.09616	5.1
137.13199	2.0
138.59787	1.9
139.07610	3.5
140.88185	1.8
141.06981	2.9
142.07787	4.4
142.53748	1.8
143.08577	25.4
144.09369	4.5
145.10132	55.9
147.08066	8.9
147.11697	55.7
149.09625	8.4
149.13249	13.0
153.09113	3.3
155.08537	6.1
156.09364	3.2
157.10133	26.1
158.10698	2.1
159.08063	4.6
159.11702	42.4
161.09624	12.9
161.13278	25.1
163.11206	7.7
163.14847	6.9
165.09134	5.4
167.10739	3.9
168.09364	3.3
169.08586	6.3
169.10159	6.1
171.08191	2.1
171.11703	25.0
173.09639	6.5
173.13277	36.5
175.11183	8.6
175.14883	11.6
177.09024	2.3
177.12776	5.8
179.10725	6.5
181.10083	3.2
181.12270	3.0
182.10916	3.2
183.10263	3.2
183.11673	9.5
185.13261	20.4
187.11253	5.5
187.14842	17.6
189.12747	8.2
189.16391	7.4
191.10666	1.8
191.14288	5.6
191.17976	2.2
193.10400	2.6
193.12245	6.7
195.11765	4.1
195.13763	3.4
197.13234	7.0
199.11163	3.4
199.14793	14.0
201.12744	7.7
201.16425	13.9
203.14316	10.9
203.17981	5.8
205.12297	3.9
205.15895	5.3
207.13860	10.5
209.13330	3.0
209.15193	2.5
211.14833	5.2
213.12683	4.8
213.16386	5.8
215.14290	6.8
217.12358	3.0
217.15898	9.5
219.13847	9.4
219.17374	4.4
221.13522	2.7
221.15385	14.7
223.14868	2.8
225.16245	3.7
227.17885	3.3
227.28070	2.0
229.15947	4.6
231.13823	5.0
231.17461	2.7
233.15343	11.9
235.16946	7.3
239.17892	3.1
245.15402	4.0
247.16933	8.6
249.18500	3.5
253.19626	1.9
261.18344	2.9
289.21701	2.3
293.22653	2.2
309.22208	3.5
311.23764	3.1
315.23199	3.1
315.26605	2.7
324.61630	2.6
327.23325	13.3
329.24808	12.1
345.24182	3.7
355.26233	2.3
363.26926	2.6
367.26099	2.4
379.26123	3.9
381.27747	5.5
391.29660	2.1
395.29639	2.7
397.27289	5.9
399.29053	3.5
401.28406	3.1
409.31070	2.9
411.28857	2.1
413.29785	2.0
415.28000	4.3
419.29129	11.8
427.32065	6.9
437.30002	30.5
455.30621	28.8
473.32666	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.0
57.07063	0.3
64.23394	0.4
65.24104	0.4
67.05502	0.9
69.03422	0.7
69.07073	0.7
70.06586	1.5
70.41583	0.4
70.85386	0.9
71.04976	0.4
72.08146	0.4
73.02921	0.4
73.24841	0.4
74.06071	0.6
77.46658	0.4
79.05514	0.4
80.72910	0.4
81.03450	0.4
81.07046	1.0
82.06572	1.1
83.04987	1.2
83.08618	8.1
84.08150	0.9
85.02918	0.8
85.06553	0.7
86.09712	1.1
87.44906	0.4
87.83509	0.4
91.05491	0.8
93.07067	0.8
95.04993	0.8
95.08624	0.8
97.02914	0.6
98.09731	1.1
98.97595	1.3
100.07612	3.3
100.11259	66.3
105.07027	0.9
107.08604	0.8
109.06541	0.7
110.06081	1.1
111.04446	4.8
112.07623	0.8
117.03438	0.4
117.13937	1.5
119.08587	0.8
123.08169	0.5
124.07591	0.5
126.09193	1.1
127.08692	0.8
128.07068	3.6
139.08679	1.4
140.07092	1.5
145.02910	0.4
147.04404	0.9
147.11702	1.1
149.09618	0.5
161.02869	0.4
163.02748	0.4
163.04015	1.1
170.99858	0.4
177.05539	1.3
182.15413	15.2
192.13913	0.5
207.13863	0.6
209.16501	12.5
210.14903	20.6
213.88086	0.4
223.06093	0.9
226.19128	1.6
227.17513	2.9
228.16061	2.2
245.18570	1.9
249.02924	0.6
277.10983	0.7
279.09943	1.5
280.10800	0.8
291.04080	0.6
326.27994	1.2
336.22479	0.5
337.21033	1.0
343.30820	1.5
435.33511	1.1
453.34265	3.6
471.17410	3.8
471.35452	100.0
472.19583	1.1
472.35870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	Karavilagenin D
Peak:m/z	Relative Intensity
50.07782	2.1
51.51083	2.2
53.03949	5.0
55.01867	3.2
55.05509	16.3
56.96583	2.8
57.03406	2.4
57.07067	3.9
59.82578	2.6
64.00416	2.1
65.03944	2.5
67.05512	38.1
69.03433	7.6
69.07063	13.7
69.90815	4.0
69.91212	5.8
71.04977	7.0
76.56094	2.2
79.05494	30.3
81.06600	3.5
81.07063	62.8
83.04978	6.8
83.08610	9.9
85.02894	7.6
85.06525	2.9
91.05488	33.5
93.07054	67.2
95.04959	3.7
95.08611	100.0
97.06539	6.2
97.10162	2.7
99.04472	3.2
99.08092	3.7
103.05471	2.7
105.07035	68.7
107.04970	2.8
107.08601	77.5
109.06517	8.2
109.09483	4.5
109.10161	58.6
109.18503	2.5
111.04485	2.8
111.08096	8.7
113.09644	6.4
115.03882	2.7
117.07012	15.7
117.07761	2.1
119.08590	73.8
120.58811	2.2
121.06537	5.5
121.10152	39.6
123.08086	15.3
123.11702	15.4
125.05984	2.9
125.09658	5.1
127.11182	2.9
128.06177	3.4
129.06981	6.8
130.07797	4.5
131.08572	43.8
133.06488	2.5
133.10139	53.9
135.08049	7.4
135.11690	21.5
137.09630	3.8
137.13300	4.0
139.07475	2.8
142.07771	4.9
143.08598	20.9
144.09309	4.7
145.10129	49.1
147.08098	7.3
147.11707	42.8
149.09654	6.0
149.13223	12.2
151.11185	2.5
155.08575	8.0
156.09369	5.6
157.10133	29.3
158.10825	5.8
159.08057	3.1
159.11710	52.1
159.13028	3.1
160.12157	2.7
161.09595	10.6
161.13258	28.0
163.03886	22.0
163.11133	4.4
163.14804	7.7
165.09077	6.0
167.10670	3.7
168.09474	2.3
169.08649	8.8
169.10150	8.4
171.11736	19.6
173.09685	4.5
173.13275	34.9
175.11208	4.0
175.14867	13.6
177.09140	2.6
177.12766	4.2
177.16344	2.6
179.10652	7.4
181.10091	3.7
181.12119	2.6
183.11685	11.5
185.13263	18.2
187.11305	3.4
187.14838	19.4
189.12782	3.1
189.16388	7.2
191.10611	2.5
191.14244	2.8
193.12241	4.6
195.11769	4.6
197.13231	11.1
199.11337	2.5
199.14835	15.1
201.12653	11.7
201.16393	25.4
203.14330	8.7
203.17953	6.6
205.12239	5.8
205.15970	4.9
207.13791	5.6
207.17467	2.5
209.13271	3.3
211.14864	6.7
213.16383	10.2
215.14351	6.0
215.18008	10.9
217.12270	4.3
217.15909	5.7
219.13812	8.3
219.17433	10.8
221.15359	9.7
223.14870	3.9
225.16374	5.8
227.14302	4.6
227.17932	4.5
229.15880	3.7
231.13818	4.9
233.15359	8.7
233.19073	5.3
235.16972	3.5
239.18025	3.4
241.15955	3.4
247.16974	4.5
263.16498	3.8
269.12637	4.7
273.18613	4.3
281.22635	2.3
291.08658	3.5
309.22159	3.3
327.23175	18.4
329.24924	4.2
345.24240	9.5
367.26221	3.2
379.26343	2.6
395.29285	3.7
405.27679	3.5
407.33182	4.0
413.30103	3.9
417.32159	4.3
425.33948	6.1
435.32889	26.9
453.33832	46.3
471.34946	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	471.3469
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
53.03923	4.5
55.01863	5.3
55.05511	17.7
56.96551	3.2
57.07074	4.0
64.02396	2.6
67.05187	3.3
67.05506	42.4
69.07063	15.2
71.04983	4.1
78.39961	3.0
79.05499	35.6
80.71371	3.1
81.07064	65.1
83.04948	5.8
83.08609	12.1
85.01171	2.8
85.06543	3.6
91.05471	31.8
93.07047	60.9
95.04955	6.8
95.08610	100.0
97.06506	5.9
97.10157	4.0
98.97557	3.1
105.07033	66.4
107.08598	86.7
109.06487	4.2
109.10152	59.6
111.08090	9.5
114.78889	3.1
117.07000	12.1
119.08589	78.1
121.06508	6.0
121.10143	38.4
123.08067	11.4
123.11703	11.5
125.09611	11.7
127.11169	3.7
128.06250	3.2
129.06995	7.0
131.08580	32.2
133.10136	53.7
135.04413	4.9
135.08022	8.6
135.11681	25.0
135.69804	3.2
142.07739	3.3
142.86751	3.1
143.08536	16.4
144.09267	4.2
145.10117	55.4
147.08075	5.8
147.11684	40.1
149.09598	6.9
149.13278	16.4
155.08527	6.8
157.10121	21.1
158.10896	4.1
159.10457	4.7
159.11696	49.1
161.09584	8.0
161.13229	26.7
163.03906	34.7
163.11160	4.0
163.14801	11.3
165.09082	4.2
171.11690	19.6
173.09618	3.8
173.13278	33.9
175.11165	5.4
175.14806	24.0
177.16406	8.2
179.10744	5.9
179.14313	3.0
180.94165	3.0
181.10117	3.5
183.11627	4.7
185.13301	16.7
187.14816	28.5
189.12816	3.9
189.16382	20.8
191.10741	3.4
191.14279	7.5
191.17992	5.3
193.15900	4.3
197.13254	11.7
199.14749	16.2
201.12718	7.1
201.16393	37.3
203.14294	10.3
203.17996	16.3
203.44084	3.3
205.15807	6.9
207.13895	3.3
211.14894	7.0
213.16461	10.9
215.14189	3.4
215.17964	17.3
217.12126	4.4
217.15794	7.2
219.13812	7.0
219.17455	16.8
221.15334	8.6
225.16248	5.5
227.17975	6.8
229.19431	5.2
231.13783	3.9
231.17401	6.0
233.15314	9.0
233.18956	5.7
235.16945	5.4
243.21065	4.8
245.15393	3.9
247.17062	6.9
251.17992	2.9
259.16953	4.6
261.18478	4.9
267.21008	4.9
309.21732	4.7
327.23071	14.0
329.24670	4.6
345.24200	9.3
407.32980	11.3
417.31360	4.2
423.32181	6.8
425.34302	7.3
435.27737	3.1
435.32727	24.2
453.33670	42.7
471.34744	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.347
Annotation	Karavilagenin D
Peak:m/z	Relative Intensity
53.03919	3.1
55.01867	4.1
55.05509	14.6
57.07027	2.1
64.74445	2.2
65.03941	2.4
67.05192	3.0
67.05507	39.7
69.07067	15.8
70.43128	4.9
70.43485	6.1
71.04984	6.1
73.02911	2.2
73.16972	2.2
79.05491	29.2
81.06599	4.2
81.07056	65.1
83.04971	6.6
83.08599	8.4
87.54463	2.5
91.05480	33.2
93.06483	4.3
93.07047	59.5
94.93479	2.2
95.04978	5.7
95.08608	100.0
97.06521	6.7
97.10162	3.4
99.04412	3.4
101.02383	2.2
105.07030	60.9
107.08595	61.8
109.06506	6.2
109.10152	43.1
111.08064	10.3
113.09623	3.4
117.07038	13.3
119.08582	68.2
121.06510	4.5
121.10146	38.0
123.08061	7.6
123.11710	8.7
125.05972	5.1
125.09649	5.1
128.06157	3.8
129.07013	8.5
131.08565	36.4
133.06528	2.7
133.10129	43.9
135.08015	3.4
135.11703	19.6
137.09592	3.1
137.13237	2.3
142.07744	2.7
143.08549	16.7
144.09352	3.1
145.10118	47.8
147.08037	6.2
147.11702	36.7
149.09604	8.6
149.13226	12.3
153.09100	3.6
155.08557	6.1
156.09366	2.7
157.10120	24.3
159.08018	4.0
159.11702	42.8
161.09631	9.7
161.13260	22.1
163.07315	2.3
163.11194	3.1
163.14766	7.2
167.07077	4.1
167.10672	4.1
169.08672	3.8
169.10092	6.4
170.10919	2.4
171.11687	20.5
173.09541	3.0
173.13235	24.9
175.11209	5.4
175.14806	9.4
177.09090	2.9
177.12674	3.6
179.10764	3.5
183.10179	2.7
183.11687	6.4
185.13251	8.8
187.14827	14.9
189.12708	5.2
189.16313	10.8
191.10699	2.5
191.14153	2.6
195.11783	4.7
197.13255	7.1
199.14857	8.6
201.12764	4.3
201.16394	18.8
203.17917	7.0
205.12303	4.4
207.13783	5.2
209.13190	3.0
211.14812	3.2
213.12756	2.9
213.16422	5.2
215.14255	3.1
215.17924	8.4
217.15750	5.0
219.13850	8.2
219.17436	5.2
221.15318	7.0
227.18059	3.1
231.13771	4.7
231.17467	2.8
233.15419	10.8
233.18916	4.0
239.17828	3.1
245.15312	3.2
247.16870	7.2
313.21817	3.7
327.23074	10.3
345.24240	3.7
367.26053	4.0
395.29553	3.5
417.31421	4.4
425.34201	6.3
435.32605	18.0
453.33652	39.3
471.24576	4.1
471.34830	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	Kuguacin A
Peak:m/z	Relative Intensity
53.03938	5.3
54.49065	2.6
55.01865	4.7
55.05512	17.9
56.96564	4.1
59.04995	4.3
66.75996	2.5
67.05174	4.6
67.05511	37.8
69.03410	8.6
69.07078	17.8
69.48749	21.5
71.04977	7.8
73.46703	3.3
79.05492	37.7
81.06590	4.2
81.07056	65.4
83.04950	6.5
83.08592	10.5
85.02876	3.3
85.06528	4.8
91.05482	33.5
91.09345	2.6
93.07047	67.9
95.04956	6.0
95.08613	100.0
97.06532	7.6
97.10130	3.8
99.04391	2.8
102.59921	3.0
105.07030	62.9
107.08602	72.2
109.06541	6.7
109.10167	48.2
111.08083	10.9
113.09638	3.8
117.07047	17.0
119.08584	66.1
120.79727	3.0
121.06550	3.8
121.10146	39.1
123.08061	5.0
123.11711	10.5
125.06009	3.1
125.09628	6.2
129.06992	7.4
131.08586	35.8
133.10136	48.1
135.08076	8.4
135.11691	24.0
136.93115	3.6
139.12544	2.5
142.07793	3.9
143.08560	19.3
143.10695	4.5
145.10118	46.4
147.08022	5.8
147.11690	45.5
149.13245	13.2
154.94194	6.9
155.08534	8.2
157.10143	19.4
159.11713	44.0
161.09657	7.7
161.13277	25.5
163.11214	5.5
163.14844	4.1
167.07088	3.7
167.10696	4.4
169.08807	3.6
169.10156	9.5
170.10808	3.4
171.11667	15.6
172.95255	5.4
173.09624	7.6
173.13275	26.3
175.11259	8.0
175.14859	16.5
177.09215	3.4
177.16508	3.7
179.10687	5.4
181.10092	4.7
181.12062	3.3
183.11713	6.7
185.13234	9.9
187.14803	14.3
189.12758	5.2
189.16348	8.5
191.14366	4.1
193.12189	3.4
195.11826	3.3
197.13246	9.8
199.14911	13.9
201.12811	3.8
201.16353	16.9
203.14253	4.1
203.17993	7.5
207.13750	3.9
211.14851	4.9
213.12730	4.5
213.16330	6.0
215.18025	7.0
217.12294	5.3
217.15862	5.3
219.13710	8.3
219.17383	7.0
221.15337	4.4
225.16386	4.0
229.15984	3.8
231.13823	4.6
231.17455	4.2
233.15308	11.9
233.18898	7.3
235.17003	3.8
243.21011	3.1
245.15556	3.1
247.16840	5.1
283.08536	5.5
287.20236	3.6
291.21002	3.8
311.23764	3.3
313.21509	3.4
317.17670	5.7
323.10690	4.9
327.23196	17.2
329.24634	5.4
345.24200	5.5
367.25903	3.4
379.25705	3.1
395.29352	4.8
413.30264	3.9
423.32571	3.5
425.34177	7.1
435.32748	29.2
453.16791	5.6
453.33615	39.2
471.18066	5.5
471.24207	5.0
471.34802	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
54.41984	2.7
55.01865	4.5
55.05514	27.6
56.96549	10.2
57.03418	3.4
57.07074	4.6
60.78381	2.7
61.02918	6.4
62.68614	2.4
65.03925	5.1
67.05178	3.8
67.05508	52.9
69.03428	19.7
69.07063	29.1
71.01342	3.0
71.05000	6.5
73.02905	5.1
79.05502	43.3
81.03422	6.7
81.06587	5.5
81.07056	90.5
83.04992	25.1
83.08598	11.8
84.41810	2.7
85.02895	11.2
85.06549	5.6
91.03944	3.9
91.05482	50.0
92.44646	2.7
93.07043	77.8
95.04961	20.0
95.08606	100.0
97.02882	12.9
97.06508	19.0
97.10156	5.2
98.97573	2.9
99.04459	5.6
99.08071	5.8
101.02364	3.9
103.05449	3.6
105.07029	88.6
106.07351	4.3
107.08598	94.8
108.08875	3.1
109.02895	5.0
109.06540	15.7
109.10162	74.6
111.08063	10.9
115.03927	6.5
117.07031	20.0
119.08579	99.6
120.08902	3.5
121.06503	10.4
121.10148	54.3
123.08068	22.5
123.11730	22.8
125.05951	6.3
125.09621	11.2
127.03887	2.6
127.11279	3.2
128.06201	6.3
129.06985	11.1
130.07784	5.4
131.08568	55.0
133.06522	5.1
133.10136	51.8
135.08047	10.0
135.11687	40.7
137.09575	6.5
137.13255	7.6
141.06998	4.8
142.07822	4.5
143.08569	30.7
144.09282	4.0
145.06477	4.6
145.09085	5.1
145.10138	72.6
146.10478	3.0
147.08023	10.8
147.11693	48.2
149.09627	12.3
149.13254	22.1
151.07458	2.7
151.11227	3.6
151.99301	2.7
153.09045	3.6
154.07759	4.0
155.08527	14.0
156.09309	7.6
157.10136	37.9
158.10872	3.6
159.08002	7.4
159.11691	66.5
161.09599	11.3
161.13269	45.1
163.11183	5.5
163.14804	7.7
167.07045	4.4
167.08513	5.6
169.08582	9.0
169.10138	13.0
171.11678	26.9
173.09569	6.5
173.13289	35.9
175.11201	9.4
175.14873	15.8
177.09099	3.4
177.12715	7.7
177.16364	5.4
179.10706	4.3
179.14285	4.4
181.10104	5.3
181.12239	3.4
182.10934	3.8
183.10239	3.2
183.11618	16.5
185.13284	27.0
187.11169	6.4
187.14822	24.1
189.12694	9.0
189.16388	10.4
191.10628	3.9
191.14301	6.0
191.17746	3.0
193.12228	5.7
195.11700	10.1
195.13765	4.1
197.13345	14.5
199.11226	4.0
199.14886	19.0
201.12741	13.9
201.16415	19.1
203.14310	21.9
203.17868	4.1
205.12291	4.9
205.15788	4.4
207.11812	4.8
207.13670	5.1
208.12520	2.9
209.13177	7.3
211.11214	3.0
211.14856	13.7
213.12675	3.6
213.16362	5.4
215.14278	9.2
215.17928	8.8
217.15936	6.2
219.13799	9.0
219.17328	7.4
221.13319	4.3
221.15372	6.9
223.14832	4.5
225.16357	6.6
227.14430	5.0
227.17868	6.5
229.15788	7.9
229.19336	6.6
231.13832	5.0
231.17261	4.1
233.15382	10.9
233.19020	6.2
235.14864	4.0
235.16957	6.7
237.16412	4.5
239.17802	3.8
247.17030	4.9
247.20390	2.8
249.16522	3.4
251.17995	4.5
253.15927	4.3
255.08968	3.9
265.19431	6.3
267.09109	6.1
269.10501	7.8
281.22525	3.2
285.10034	12.9
309.22238	3.3
323.10751	4.4
323.60809	4.6
324.11459	10.6
327.23108	8.9
329.24576	3.5
334.17978	3.2
345.24179	5.7
349.16846	7.4
355.26248	5.8
379.26276	5.7
397.26837	3.3
405.27869	9.0
407.33231	7.5
417.31696	3.2
423.28629	8.1
425.33960	11.1
435.33380	16.5
453.34015	39.3
462.22357	4.4
471.35168	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.3
55.01884	5.4
55.05499	30.8
56.96542	5.7
64.46104	5.2
67.05502	54.2
69.03441	25.9
69.07047	19.0
71.04977	13.4
79.05497	48.2
81.03403	7.2
81.07054	67.3
83.04988	29.4
85.02889	17.6
85.06543	8.0
91.05476	49.7
92.05805	4.7
93.07047	75.8
94.07368	7.1
95.04955	12.4
95.08608	90.0
97.02875	12.2
97.06520	18.6
98.20721	11.1
105.07031	100.0
107.08595	88.0
109.02834	8.0
109.06512	19.0
109.10172	54.7
111.04421	8.4
115.03932	22.4
115.05355	6.1
117.07021	33.8
119.08585	93.2
119.53142	5.5
121.06499	23.2
121.10139	62.6
123.08076	15.4
123.11690	13.9
124.08270	5.8
125.09559	6.0
127.07526	10.0
127.11166	6.3
128.06172	10.7
129.05553	5.9
129.06998	18.1
131.08571	81.5
133.10136	65.2
135.08031	23.2
135.11681	37.0
137.09589	9.0
137.13199	5.2
141.07001	10.3
142.07761	12.5
143.08566	52.4
145.10132	80.5
147.08046	18.0
147.11699	53.5
149.09624	12.2
149.13231	21.4
155.07166	9.4
155.08524	30.9
156.09334	12.2
157.10130	76.8
158.10641	5.0
159.08000	10.6
159.10664	5.6
159.11707	59.7
161.09616	14.1
161.13283	28.1
163.11182	9.7
163.14822	7.4
167.08476	7.3
168.09195	6.9
169.10115	40.8
169.11514	9.6
170.10915	17.6
171.11708	54.7
173.09613	12.6
173.13255	56.6
175.11240	18.9
175.14804	23.2
177.12733	23.5
181.10135	15.0
181.12285	6.3
182.10887	9.1
183.11679	47.6
184.12370	5.8
185.13260	71.1
186.10400	6.5
187.11208	19.1
187.14862	32.5
189.12723	20.9
189.16359	16.2
191.14317	7.8
191.17953	8.0
195.11667	17.4
196.12421	6.1
197.13268	27.4
199.11272	5.5
199.14822	31.6
201.12711	57.1
201.16382	19.7
203.14349	45.4
207.11821	8.7
209.13249	18.7
211.14824	37.1
213.16277	10.5
215.14371	9.1
215.17871	8.1
217.15848	14.9
223.14754	19.8
225.12675	7.1
225.16368	23.9
227.17908	5.7
229.15862	23.2
233.15364	10.3
235.14793	6.8
237.16327	14.1
239.18138	6.7
247.17032	6.7
249.16377	13.2
251.18016	10.7
259.17038	7.4
321.25800	7.4
331.24255	7.2
355.25870	6.4
387.26703	21.9
405.27921	62.8
417.27859	17.3
423.28680	44.0
435.28671	19.9
435.33221	11.0
453.34216	33.3
471.28378	15.0
471.34927	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01861	7.4
55.05521	21.7
56.96558	17.3
57.03435	6.2
57.07082	4.5
61.02934	7.7
65.03936	6.2
67.05508	41.7
68.70466	4.5
69.03423	30.4
69.07079	21.5
69.78351	4.7
71.01355	8.5
71.04992	10.6
73.02896	4.8
79.05500	48.6
81.03407	9.3
81.07054	63.1
82.07389	4.8
83.04975	14.2
83.08620	7.3
83.22305	3.9
85.02918	30.6
85.06526	4.4
87.04485	4.7
91.05484	57.2
93.07045	76.0
95.04965	18.3
95.08607	82.2
97.02896	29.0
97.06525	15.9
97.57166	4.2
98.21638	8.2
98.97605	6.0
99.04451	6.4
101.91048	4.3
105.07033	74.1
107.08590	97.9
109.02885	18.5
109.06534	15.1
109.10166	47.0
111.04451	10.3
111.08121	10.4
115.03203	5.3
115.03932	26.8
116.06187	4.4
117.07020	22.8
119.08582	100.0
119.15649	3.9
121.06511	18.7
121.10152	60.8
123.08082	17.4
123.11705	16.8
125.09605	6.4
127.03927	7.4
127.07589	6.0
128.06186	9.0
128.98674	5.3
129.07004	16.8
130.07724	5.7
131.08574	68.2
131.95596	5.2
133.06493	7.7
133.10133	68.3
135.08043	19.2
135.11690	30.0
137.09592	6.8
137.13271	7.7
141.07013	7.3
142.07759	12.0
143.08562	41.9
145.10124	88.3
147.08043	9.6
147.11687	51.5
149.09579	12.6
149.13295	26.6
151.11160	5.9
155.07344	5.0
155.08527	27.7
156.09300	12.7
157.10147	60.8
159.08128	9.8
159.11696	68.7
161.09619	20.5
161.13246	40.8
163.11143	9.1
163.14799	9.8
167.08574	11.7
168.09373	7.2
169.10092	42.0
170.10898	9.1
171.11682	37.7
172.08850	6.0
173.09612	10.8
173.13292	48.8
175.11212	18.4
175.14822	28.6
177.12764	15.2
177.16376	6.6
181.10110	12.4
182.10950	8.3
183.11740	53.9
185.09741	4.9
185.13271	82.2
187.11172	14.9
187.14825	38.7
189.12798	13.9
189.16373	14.9
194.10802	7.1
195.11728	12.0
197.13345	24.1
199.11285	5.1
199.14813	27.9
201.12782	40.0
201.16422	24.5
203.14337	64.0
203.17996	4.7
205.15915	5.9
207.17632	6.5
209.13330	13.1
211.14827	39.2
213.12730	6.9
213.16353	14.5
215.14330	17.9
217.15933	8.7
221.13277	9.4
223.14879	23.8
225.16406	12.4
227.14325	10.7
227.18077	12.2
229.15916	27.8
229.19536	5.3
233.15318	6.4
235.14787	8.9
237.16342	17.3
239.17940	7.7
247.16907	5.3
249.16422	9.5
251.17941	10.8
261.16397	7.4
267.09091	14.0
269.10733	7.5
283.08304	5.6
285.10101	23.5
305.22760	4.7
316.11755	7.8
321.25616	10.9
324.11569	6.8
361.25336	5.7
367.17819	7.2
387.26889	22.9
399.26657	5.1
405.27841	57.6
407.32916	16.5
417.27884	20.1
423.28961	41.1
425.34161	26.4
435.28372	30.0
453.28693	6.0
453.33502	24.4
471.35443	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	471.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44344	3.5
53.03946	9.5
55.01866	6.0
55.05521	17.4
57.07079	5.4
65.03953	4.3
67.05508	34.0
69.03436	31.7
69.07059	20.8
69.47113	18.2
71.01355	11.3
71.04990	5.9
75.89766	2.9
79.05502	34.7
81.07058	60.7
83.04966	13.7
83.08624	5.6
84.54675	2.7
85.02900	23.3
91.05484	45.2
93.07046	53.8
95.04977	9.8
95.08613	68.5
97.02901	25.9
97.06517	10.5
97.10178	4.0
98.20742	4.3
99.04465	5.6
103.05544	4.3
105.07040	75.9
107.04975	4.2
107.08599	76.9
109.02897	16.1
109.06551	19.3
109.10156	52.9
111.04465	7.4
111.08082	7.2
115.03929	37.9
115.05479	4.5
117.07027	19.2
119.08589	82.0
121.06514	21.7
121.10140	52.1
123.08066	15.8
123.11700	11.5
127.03970	9.8
127.07529	7.0
128.06239	9.6
129.05490	3.7
129.07013	22.5
130.07770	4.7
131.08565	49.5
133.06488	6.2
133.10150	58.6
135.08038	17.7
135.11693	22.0
137.06020	4.8
137.09590	6.8
137.13200	3.5
141.07002	10.9
142.07779	11.8
143.08565	48.3
144.09337	9.8
145.06497	8.4
145.10126	72.2
147.08069	19.6
147.11685	38.4
149.09639	9.1
149.13275	13.6
154.07722	3.9
155.07202	7.0
155.08572	31.1
156.09399	16.5
157.10136	55.0
158.10905	9.0
159.08066	14.0
159.11711	55.6
161.09637	27.9
161.13254	34.7
163.11211	11.0
163.14893	5.5
165.06920	6.0
167.08597	11.6
168.09323	11.5
169.10129	47.5
170.10912	25.1
171.11696	46.2
173.09669	16.8
173.13255	40.3
175.11191	20.9
175.14842	6.0
177.12776	17.7
179.08498	4.6
180.09328	4.0
181.10100	26.0
182.10896	12.2
183.11707	70.2
185.09708	5.4
185.13278	100.0
186.10422	8.6
186.86984	3.3
187.11226	14.3
187.14865	28.7
189.12769	23.6
189.16347	4.7
191.10574	4.0
191.14316	6.4
193.10161	7.9
193.12083	3.3
194.10938	10.5
195.11765	21.2
196.12457	7.7
197.09552	4.1
197.13269	32.8
198.14085	5.1
199.11252	11.0
199.14877	25.3
201.12759	64.2
201.16351	16.1
203.14319	75.0
203.18063	3.8
205.10193	3.8
207.11662	11.8
207.13818	11.2
208.12450	5.4
209.13235	24.0
211.14819	47.0
213.12737	8.5
213.16454	6.5
215.14333	19.1
215.17906	3.5
217.15866	8.5
219.11745	7.2
219.13715	7.2
221.13263	11.1
221.15250	3.9
222.14018	5.0
223.14864	23.5
225.16371	22.7
227.14308	10.8
229.15857	39.7
233.13274	4.4
233.15555	3.9
234.14102	4.4
235.14819	6.6
237.16394	14.4
239.17912	10.4
243.17278	4.4
245.15428	5.1
249.16383	14.0
251.18028	9.7
253.15910	5.3
261.16248	3.6
263.17963	9.2
265.19531	4.7
267.09052	9.8
267.17368	4.1
275.17993	3.8
285.10092	14.0
289.19525	5.5
291.21271	3.8
299.18085	3.9
307.20468	3.6
307.24072	5.8
311.20212	4.6
319.24063	6.7
321.25772	12.2
322.22873	4.8
324.11328	6.4
331.24329	5.0
349.25449	4.9
361.25439	6.6
377.28250	5.9
387.26868	30.5
399.26501	4.3
405.27917	81.6
407.29141	5.3
417.27832	27.9
423.28876	57.6
435.28720	53.1
453.29874	14.1
453.34946	5.1
471.34613	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	471.2202
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
50.98928	0.1
55.05494	0.2
61.76173	0.1
63.84011	0.1
67.05502	0.2
69.03435	0.2
69.07059	0.2
71.13068	0.1
71.53754	0.2
79.05488	0.3
79.58795	0.1
81.07037	0.3
91.05491	0.3
93.07056	0.2
95.08603	0.4
97.06524	0.6
105.07026	0.3
107.08629	0.2
109.10187	0.2
118.25187	0.1
119.08568	0.4
121.10183	0.2
123.04466	0.1
128.46165	0.1
133.10162	0.4
135.04442	0.2
135.11687	0.2
142.25400	0.1
145.02798	0.2
149.13213	0.2
161.13275	0.1
163.03935	1.2
164.04237	0.2
185.04160	0.3
189.16438	0.2
191.18002	0.3
215.07129	0.2
236.68239	0.1
254.01439	0.1
259.09769	0.4
260.10144	0.2
261.10211	0.3
271.10995	0.1
273.29471	0.1
279.11401	0.2
309.16739	2.3
329.02023	0.2
471.22040	100.0
472.22458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.22
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.6
69.07054	0.6
69.39060	3.2
74.65743	0.5
81.07053	1.3
93.07004	0.6
95.08632	0.5
97.06530	1.5
115.03854	0.5
115.82645	0.5
150.82231	0.6
162.99208	0.5
163.03874	1.0
173.02365	0.9
177.05544	0.5
185.09517	0.5
201.03740	1.3
202.57288	0.4
203.05360	1.0
205.12321	0.5
215.07028	0.6
259.09729	1.1
260.09976	0.9
261.10263	1.0
275.07330	1.1
277.10794	0.5
324.11691	0.6
333.07916	44.2
335.03333	0.5
335.09488	23.4
471.22028	100.0
472.22263	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46067	0.2
67.05508	0.3
69.07043	0.2
70.69888	0.5
71.04983	0.3
76.01137	0.2
79.05490	0.2
81.03345	0.2
81.07049	0.5
85.02914	1.0
91.05491	0.2
95.08604	0.4
97.02901	0.4
97.06535	0.7
105.07058	0.2
109.10188	0.3
119.08559	0.4
121.10114	0.3
129.05479	0.3
133.10149	0.3
145.04961	0.2
147.06639	0.2
153.91968	0.2
163.03941	0.6
164.04294	0.2
203.05296	0.9
259.07846	0.7
260.09933	0.2
261.10306	0.4
296.36285	0.2
309.16702	1.6
333.07977	0.9
335.09451	0.5
383.86197	0.2
388.03128	0.2
471.22031	100.0
472.22488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29826	7.2
57.03429	11.6
61.02907	11.0
69.03425	18.9
70.20066	18.6
70.20478	23.6
81.87756	7.5
85.02899	49.9
85.98232	7.4
86.06023	8.8
91.05487	10.6
97.02878	31.2
101.00874	41.0
113.00866	22.4
115.02451	10.8
119.01910	53.4
119.04904	13.2
121.01681	10.7
127.02379	13.8
127.03893	16.9
131.01883	41.0
133.03427	19.3
139.53908	8.3
143.01901	43.5
143.59688	7.6
145.01662	17.4
145.03450	37.1
145.04933	14.9
147.03262	8.4
147.04419	28.5
153.03154	13.5
155.01904	38.1
157.03488	35.5
161.02995	53.6
161.04164	7.3
163.02673	19.3
169.03299	9.0
171.05008	9.5
173.02985	48.5
174.03735	9.4
175.02560	14.3
175.04341	13.6
177.00754	8.8
177.03983	11.4
185.02931	22.7
187.04514	30.8
189.05637	8.2
195.05164	17.6
197.06653	10.8
199.04495	21.6
201.05951	9.5
203.04002	40.3
204.04807	10.2
205.03618	12.4
205.05487	14.8
207.05020	21.7
209.06773	9.4
211.04565	15.2
219.01878	9.9
219.05118	14.6
219.07056	12.0
221.05031	56.7
221.06874	15.1
223.04634	15.6
223.06670	26.9
227.02112	9.5
229.03424	9.7
229.05547	11.2
233.06398	11.6
237.06247	9.6
245.05063	18.5
247.04297	100.0
259.06711	13.1
265.07819	38.3
277.07736	60.5
279.07019	49.7
285.07297	10.7
289.07669	72.5
291.09277	36.7
297.08148	67.1
305.10843	15.5
307.05533	13.5
307.08719	32.2
309.04657	18.2
321.10361	59.9
322.10257	9.4
323.06149	30.1
323.10156	21.7
336.11771	8.8
337.07925	13.6
349.07654	25.4
367.08588	19.2
393.06674	15.5
411.10953	71.9
429.08829	43.3
471.13174	37.7
471.20895	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	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03942	8.1
55.01853	3.4
55.05508	26.0
55.95322	3.0
57.07069	3.0
58.42593	3.2
67.05510	33.1
69.03438	8.0
69.07075	18.3
71.04965	4.0
71.55374	3.3
79.05499	33.1
81.06581	5.8
81.07056	60.7
83.04989	13.1
83.08613	10.2
85.06543	5.1
91.05482	41.0
93.07046	56.1
95.04981	11.5
95.08605	69.2
97.06538	9.7
97.10170	4.3
99.08109	13.4
105.07034	69.2
107.08594	85.6
109.06535	10.1
109.10155	33.8
111.08074	8.8
117.07048	17.8
119.08583	100.0
121.10150	42.4
123.08071	12.0
123.11722	15.7
125.09612	5.9
127.07539	3.3
128.06258	4.1
129.07010	9.2
131.08566	56.2
132.09320	4.3
133.10141	59.3
135.08046	5.4
135.11690	25.3
137.13271	3.3
139.62788	3.4
142.07782	8.1
143.08557	30.9
144.09337	5.7
145.10127	71.6
147.11682	40.9
149.09656	4.6
149.13254	14.4
155.08565	9.1
156.09286	4.4
157.10138	43.2
159.07973	3.9
159.11714	53.1
161.09660	4.8
161.13234	31.1
163.07600	5.0
163.11191	4.8
163.14838	11.6
168.09396	3.8
169.10109	15.1
171.11778	28.4
173.13269	39.1
175.11168	5.1
175.14821	30.7
177.12827	6.0
177.16341	6.6
181.10132	5.4
183.11694	17.2
185.13295	21.7
187.11288	4.8
187.14832	58.2
189.16415	16.8
191.14366	3.4
195.11725	7.8
197.13269	16.0
199.14796	31.3
201.16396	49.0
203.14319	8.0
203.17946	7.8
205.15916	10.5
209.13289	12.1
211.14807	11.8
213.16306	21.7
215.14401	4.9
215.17967	7.2
217.15816	15.6
219.17322	3.8
221.13327	5.3
221.15358	4.4
223.14886	7.8
225.16412	15.2
227.17938	9.7
229.19272	3.9
231.17511	10.9
233.15456	6.6
235.14948	4.3
237.16476	4.4
239.18013	12.4
241.19514	4.8
245.15448	7.9
247.16992	9.0
253.19539	5.3
255.17807	3.3
265.19482	7.7
267.09015	4.1
279.21069	7.9
281.22736	6.0
285.10101	6.9
291.21176	3.7
321.21777	4.1
325.21625	4.5
327.23270	7.1
327.26852	3.8
349.48444	3.4
351.26892	6.2
387.30322	11.5
405.26675	4.5
405.31580	49.7
423.32687	42.7
433.31039	22.6
451.32291	37.6
469.27551	5.3
469.33365	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	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03966	0.8
54.52654	0.7
55.05273	1.1
55.05519	15.2
57.07064	1.6
62.23392	0.7
67.05506	5.4
69.07078	11.0
70.00010	3.0
71.08661	0.8
79.05489	4.8
81.07066	16.3
83.04989	100.0
83.08624	2.1
85.06535	1.0
91.05481	5.3
93.07053	13.1
95.04967	1.5
95.08616	14.9
97.10165	1.2
98.21379	1.1
99.08116	1.3
105.06329	1.0
105.07037	21.1
107.08601	18.8
109.10157	14.1
111.11744	0.9
114.39139	0.9
117.07047	3.4
119.08596	11.8
121.10156	30.4
121.11053	1.5
123.11724	13.3
125.09634	1.9
129.06993	3.9
131.08580	14.1
133.10143	10.0
135.11697	8.6
137.13303	1.4
142.07773	1.5
143.08586	10.0
144.09370	1.0
145.10143	13.3
147.08142	1.0
147.11694	13.2
149.06010	1.3
149.09645	1.6
149.13277	4.7
151.11115	0.9
155.08565	5.1
157.10127	9.9
159.11710	15.5
159.62129	1.0
161.09564	1.0
161.13298	6.0
163.11157	2.1
163.14827	9.8
167.08597	0.9
169.10179	5.6
171.11667	6.1
173.09540	1.5
173.13243	4.9
175.11221	1.4
175.14890	2.8
177.09154	1.5
177.16287	0.9
181.10219	1.1
182.10883	0.9
183.11711	3.4
185.09709	0.9
185.13261	8.0
187.11368	1.7
187.14886	5.8
189.16434	1.6
191.10805	0.9
195.11745	1.8
197.13243	8.5
199.14819	6.5
201.09097	1.0
201.12746	1.3
201.16455	4.1
203.10696	1.5
203.14360	1.8
203.17932	0.8
205.12224	3.7
205.16052	1.4
209.13370	1.7
211.14847	3.2
213.16460	1.2
215.10699	2.3
215.14409	1.3
215.18102	1.1
217.12335	1.6
219.17461	3.0
223.15022	1.0
225.12744	1.2
225.16412	2.1
231.13820	4.7
231.17548	1.0
237.16368	2.0
239.17937	1.6
243.13834	4.6
245.15358	2.7
249.14731	1.1
251.17909	1.0
253.19582	1.0
257.15350	1.5
261.14951	2.6
265.19391	0.8
267.21060	2.1
275.16351	1.3
279.21136	1.6
283.17203	0.9
303.19672	1.0
307.24188	7.8
309.25827	3.5
325.22009	1.2
325.25238	4.3
335.23734	1.5
353.24799	17.0
369.24179	1.6
369.28223	1.4
371.25854	30.0
371.30576	1.6
377.24863	1.1
405.31656	3.9
407.32852	1.7
423.32870	2.7
433.31149	2.3
451.32092	9.7
469.33215	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	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.25837	2.9
51.72892	3.3
53.85461	2.6
55.05512	11.3
57.07065	3.6
62.96553	3.0
67.05511	15.8
68.08617	3.2
69.07072	33.1
69.45362	22.4
79.05509	23.1
81.07057	35.0
83.08609	14.2
91.05482	17.6
93.07055	29.9
95.05001	4.6
95.08612	41.8
97.02919	3.3
97.06535	84.1
97.10187	3.3
98.06861	3.0
99.08102	3.1
105.07031	44.9
107.08594	46.3
109.06525	5.0
109.10156	24.6
111.08061	5.5
117.03342	3.9
117.07021	6.8
119.08585	65.2
121.10149	28.7
123.08083	3.2
123.11708	9.0
128.06168	3.3
129.07042	5.8
130.07829	3.2
131.08560	43.2
133.10130	48.4
135.04436	11.7
135.08005	3.5
135.11688	10.6
137.13263	4.3
142.07776	5.0
143.08551	17.1
145.02892	7.2
145.10127	43.3
147.11685	32.1
149.09669	5.0
149.13297	14.3
151.11166	3.6
155.08557	8.0
157.10121	28.9
159.04420	9.1
159.11725	34.8
161.02394	22.3
161.13264	43.2
163.03915	56.6
163.14838	11.8
169.10114	16.2
171.11664	16.8
173.02348	50.2
173.13290	25.8
175.14841	31.9
177.16364	17.2
179.14308	12.3
181.09993	3.7
183.11688	11.1
184.12529	4.3
185.13295	20.7
187.14792	26.4
189.16394	19.9
191.14278	7.1
193.15923	16.1
195.11661	4.9
197.13298	15.1
199.14789	15.8
201.16383	45.4
203.14340	12.6
203.18025	11.7
205.15852	15.5
211.14836	9.2
213.16350	22.0
215.07039	72.3
215.14127	4.0
215.17949	10.1
216.07359	9.4
217.15871	13.9
219.11790	3.8
219.17412	24.2
223.14821	3.6
225.16441	8.0
227.17953	4.5
229.15761	4.3
231.13853	3.9
231.17424	36.4
233.19026	10.8
237.16461	24.2
239.17972	7.7
245.15454	4.8
247.16985	7.0
249.14827	12.8
251.17845	5.4
253.19536	6.9
259.09662	100.0
260.09982	20.0
261.14798	5.5
269.19061	3.2
275.16821	3.3
277.10718	92.0
279.21237	4.6
283.16782	3.7
305.22623	3.7
319.24014	3.7
338.18393	2.9
387.30423	9.1
389.32074	4.4
405.31631	42.9
407.33206	4.1
411.28625	4.4
423.32559	18.0
433.31174	17.0
445.96063	3.4
451.32126	67.3
469.33319	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01871	2.7
55.05505	4.3
57.03426	2.2
65.03925	3.0
67.05507	9.2
69.03447	12.1
69.07063	7.1
70.06607	1.9
71.01360	2.5
71.04977	2.4
71.55146	2.2
73.02900	5.3
74.06093	1.6
78.65242	1.5
79.05482	7.9
81.03413	2.5
81.07060	14.8
83.04964	5.0
85.02913	11.5
90.89173	1.4
91.05476	17.1
93.07050	15.0
95.04959	11.3
95.08607	12.9
97.02905	10.0
97.06535	4.0
98.93114	1.6
98.97598	1.8
99.04408	1.5
100.11288	2.4
103.05459	3.5
105.07034	19.9
107.04940	2.3
107.08597	17.1
109.02892	4.3
109.06511	7.3
109.10182	11.0
111.04428	6.8
111.08116	1.8
115.03922	12.3
115.05456	3.0
117.06979	6.7
119.08586	22.9
120.08149	9.8
121.06507	6.1
121.10168	10.7
123.04419	6.3
123.08039	5.7
125.06019	2.0
127.03876	2.5
128.06190	3.6
129.06989	7.0
130.06538	2.3
131.08560	15.7
132.04501	1.7
133.06465	3.5
133.10153	11.9
135.08104	8.8
135.08961	2.3
135.11670	3.6
137.05960	3.7
137.09674	2.5
137.44391	1.7
137.52867	1.5
141.06970	4.4
142.07764	7.0
143.08583	15.4
144.09261	3.9
145.06459	3.4
145.10121	15.7
147.04370	2.4
147.08043	6.3
147.11679	6.5
149.06009	2.2
149.09628	2.8
153.06979	5.0
154.07738	3.6
155.07068	4.2
155.08545	9.6
156.09377	8.3
157.06497	1.7
157.10161	14.8
159.08043	5.2
159.11716	19.1
161.05988	8.2
161.09593	7.2
161.13261	3.9
163.03918	5.0
163.07523	2.1
163.11183	3.2
165.06979	6.3
166.07774	4.4
167.07228	2.2
167.08580	8.4
168.09395	9.8
169.10126	16.8
170.10843	4.1
171.08025	3.9
171.11702	14.6
173.06038	3.2
173.09592	4.7
173.13203	9.2
174.06755	2.3
175.03925	2.1
175.07523	6.2
175.11172	6.4
175.14880	2.4
177.09044	2.2
177.12773	3.4
179.08566	7.1
180.09306	3.4
181.10141	35.5
182.10867	5.6
183.06569	4.8
183.11700	100.0
185.09576	4.6
185.13231	5.6
187.07535	4.8
187.14832	4.5
189.05519	2.7
189.09128	7.8
189.12720	6.2
191.07001	6.4
191.10605	2.5
191.14293	4.7
192.09355	2.7
193.10173	4.1
194.10928	3.4
195.08006	5.1
195.11716	15.5
197.13243	13.9
199.07520	4.4
199.11201	7.2
199.14835	12.6
201.09018	4.2
201.12694	5.4
203.07069	3.8
203.14388	4.6
205.12082	2.4
206.11053	1.8
207.11668	5.8
208.12474	2.5
209.13290	12.3
211.14873	3.1
213.09074	11.0
213.12538	4.0
215.07066	3.3
215.10730	1.8
215.14409	3.5
217.08638	7.6
219.11812	3.0
220.12427	3.2
221.13235	6.7
223.14818	4.4
227.14207	4.4
231.10130	6.0
233.08047	3.0
234.13820	2.3
235.09636	4.7
235.14787	4.4
239.14319	2.2
241.08485	3.6
241.15762	1.8
245.13130	2.4
246.14240	1.8
247.09579	2.0
247.14699	2.7
249.16380	5.7
251.17871	2.4
259.09714	8.9
261.09940	3.5
261.16254	3.5
263.17923	2.0
277.10727	47.7
289.15518	3.1
293.18823	2.3
317.08508	2.2
319.18875	2.4
319.24133	2.5
329.22595	2.2
359.23502	2.2
385.25494	7.6
387.26721	2.4
397.25424	3.6
403.26300	20.7
415.26401	8.2
421.27502	14.1
433.27374	12.6
451.28387	5.0
469.11981	5.0
469.17792	20.8
469.29391	6.8
469.34824	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.3
56.96551	2.3
61.02897	2.0
67.05499	11.1
69.03436	9.8
69.07063	6.2
69.25893	19.3
70.06597	1.8
71.01369	2.4
79.05499	11.0
81.07062	16.6
83.04971	5.7
84.93143	2.1
85.02921	4.4
85.06513	2.2
90.71181	1.9
91.05483	15.3
93.07037	16.3
95.04981	4.1
95.08609	13.7
97.02880	6.2
97.06522	5.9
98.21513	5.0
105.07017	23.0
107.04946	2.6
107.08590	19.2
107.94632	1.9
109.06509	5.7
109.10148	8.8
115.03955	5.9
117.07028	7.5
119.08588	20.9
121.06493	3.3
121.10133	16.0
123.08049	6.8
123.11699	3.7
128.06116	2.6
129.06998	3.0
131.08534	14.8
133.10121	13.3
135.08093	2.7
135.11690	10.1
141.06996	3.3
142.07744	3.6
143.08549	11.1
145.10115	19.4
147.08105	3.0
147.11694	13.3
149.09619	2.0
149.13225	4.3
153.06998	6.4
155.08499	7.7
156.09338	7.8
157.10129	14.3
158.10831	2.3
159.08023	5.5
159.11699	16.4
161.09627	3.9
161.13293	6.3
163.11224	4.1
165.06981	7.7
166.07771	5.9
167.08580	5.2
168.09331	13.1
169.10133	20.0
171.11621	13.5
173.13258	8.1
175.11261	4.6
175.14838	4.3
179.08534	4.5
180.09328	2.7
181.10112	41.9
182.10909	3.4
183.11685	100.0
185.09660	4.1
185.13213	9.5
187.11247	2.5
187.14764	4.9
189.12715	4.5
189.16351	2.9
193.10184	5.2
195.11693	16.0
197.13271	8.6
199.11148	7.0
199.14722	5.1
201.12752	4.3
201.16409	2.4
206.10944	3.5
207.11696	5.6
209.13271	9.6
211.14871	3.1
213.12726	5.4
213.16405	3.2
213.60910	2.5
215.14342	4.6
221.13266	7.3
223.14787	4.5
225.12851	3.3
227.14369	3.2
233.13335	4.1
233.15407	3.5
235.14813	3.0
247.14706	4.4
249.16388	2.5
293.22723	3.0
385.24973	4.2
403.26382	20.1
415.26074	5.3
421.27332	9.1
423.32462	4.5
433.27380	6.2
451.32004	7.1
469.33878	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	469.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01849	2.7
55.05516	4.8
56.05029	1.3
56.96566	1.7
57.03431	2.9
61.02904	0.8
65.03938	1.3
67.05504	5.3
67.42828	0.8
69.03430	9.7
69.07069	14.2
69.92125	0.9
71.01356	0.9
71.04973	2.3
71.55954	1.2
73.02900	0.9
74.06089	4.4
79.05484	6.9
81.03405	2.3
81.07059	7.2
83.04967	3.6
83.08595	3.0
85.02906	7.5
86.09713	0.8
89.03901	2.3
91.05471	8.3
93.07043	7.1
95.04960	4.4
95.08597	5.9
97.02888	6.5
97.06528	54.2
97.10183	1.1
98.97581	0.9
99.04440	1.1
105.04508	0.9
105.07024	11.0
107.04958	1.9
107.08579	6.3
109.02873	2.8
109.06505	2.2
109.10147	3.0
111.04443	2.7
111.08045	1.1
115.03970	5.6
115.05454	1.3
117.03409	3.9
117.07019	3.1
119.04968	1.6
119.08591	11.3
120.08089	1.7
121.06525	3.3
121.10136	6.1
123.04402	1.1
123.08047	1.6
123.11711	0.9
127.03901	2.3
127.07487	1.0
128.06212	2.0
129.05470	1.6
129.06992	3.3
130.06531	7.2
131.04872	0.8
131.08557	9.0
132.04485	1.2
133.02847	1.5
133.06512	1.7
133.10132	7.3
135.04433	6.1
135.08055	3.2
135.11694	1.9
137.05956	1.1
137.09586	1.3
138.05510	0.9
139.03914	1.5
141.06953	4.1
142.07713	2.1
143.08554	6.4
144.09320	0.9
145.02834	5.9
145.06502	1.1
145.10121	8.4
147.04344	2.1
147.06529	1.1
147.07985	2.2
147.11656	4.6
149.05927	0.9
149.09564	1.5
149.13281	1.1
151.07503	0.9
151.11021	0.9
153.06949	3.4
154.07681	2.0
155.08531	5.1
156.09341	3.7
157.05045	0.9
157.06450	1.2
157.07619	3.0
157.10138	9.0
157.15886	2.2
158.06018	2.1
159.04411	7.0
159.08000	3.2
159.09218	1.5
159.11676	8.8
161.02319	15.3
161.05898	1.4
161.09630	3.3
161.13219	2.4
163.03897	39.6
163.11183	1.5
165.07050	2.6
166.07771	3.2
167.08588	5.9
168.09320	6.3
169.06445	2.1
169.10110	8.9
170.10854	2.0
171.11705	6.4
172.08876	1.1
173.02347	26.6
173.09616	1.3
173.13254	5.3
175.03883	2.8
175.08740	1.2
175.11191	2.8
177.05450	2.4
178.07784	0.9
179.08517	2.7
180.09302	2.6
181.10107	22.5
182.10866	3.5
183.11693	49.7
185.05928	2.0
185.09599	2.3
185.13176	4.1
187.03850	1.2
187.07391	4.1
187.11171	3.6
187.14864	2.5
188.07895	1.0
189.05499	5.4
189.12727	2.9
190.05762	1.2
191.14328	2.8
193.04892	1.1
193.07076	1.0
193.10141	2.7
194.11003	1.0
195.08041	2.3
195.11691	10.0
196.12492	1.0
197.05923	4.7
197.13176	5.2
199.11174	5.1
199.14813	7.0
200.04552	1.7
201.12697	2.4
201.16362	0.9
203.14282	1.9
205.08511	1.0
205.12132	1.3
206.10902	1.4
207.11687	2.8
208.12369	1.3
209.13312	4.9
211.14815	1.4
213.09161	1.9
213.12642	1.4
215.07022	68.9
215.14328	3.8
216.07381	5.6
217.15807	1.1
219.11702	1.2
221.13263	4.0
223.14790	2.9
225.12697	1.0
227.14285	2.2
231.13777	1.3
232.10527	1.1
232.12598	1.2
233.13181	2.2
235.14957	2.0
237.16313	1.8
239.14430	1.2
241.08653	2.0
241.15938	1.3
247.14810	1.8
249.16319	2.3
251.11325	1.0
251.17902	1.0
252.09344	1.3
257.96954	1.0
259.09641	28.8
260.10016	8.1
261.16415	2.4
267.17438	1.7
269.09341	1.8
269.12494	2.4
275.17804	1.3
276.13480	1.6
277.10703	100.0
278.10934	1.7
287.05469	5.4
288.05814	2.2
303.21088	1.2
304.12958	3.3
319.24237	1.5
324.99857	1.1
343.01312	1.3
350.15128	1.4
359.23819	1.0
361.02319	7.5
362.02576	1.8
379.03308	2.5
385.25183	5.0
397.25015	1.4
403.26285	10.0
415.26559	3.8
421.27353	6.7
433.27112	5.1
451.28506	4.5
469.19717	1.3
469.29266	3.4
487.05444	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.6
57.03423	0.4
58.99860	0.4
69.03419	1.0
70.06599	0.4
70.25023	0.3
71.35193	0.3
77.00918	0.4
79.05489	1.2
81.03441	0.7
82.99449	0.3
82.99866	1.5
84.96037	0.6
85.01341	0.3
85.02920	1.8
87.04436	0.4
89.00896	0.5
91.05490	2.4
97.02872	1.4
98.97587	6.9
101.00890	12.2
102.00951	0.4
103.00678	0.7
103.02448	0.7
110.97601	1.9
112.99138	1.0
113.00865	1.0
115.00629	0.4
115.02426	1.0
116.07152	0.3
116.98682	2.1
119.01929	19.9
119.04947	3.4
126.97020	0.4
127.02390	0.5
128.98624	1.7
129.03354	0.6
131.00130	0.6
131.01881	2.8
131.04955	0.6
133.01698	0.7
133.03465	1.2
134.99875	1.9
136.07648	0.7
137.02968	0.9
143.01903	54.0
144.02023	0.5
144.98174	0.7
145.03464	2.2
145.04996	0.5
146.99632	0.5
147.01385	0.7
147.04401	2.9
155.01918	2.0
157.03487	1.5
158.99683	2.2
159.03239	0.5
161.02963	70.4
161.05896	1.5
162.03058	0.8
162.99373	3.0
163.02481	0.5
165.05449	0.6
170.99698	1.4
171.05054	0.5
173.01608	0.5
173.02972	3.4
175.02684	0.8
175.04134	1.3
177.00821	2.5
177.04176	0.5
177.05522	0.5
179.04085	0.4
181.03450	3.9
183.01421	0.9
184.04559	2.3
185.01503	0.7
185.02975	1.5
186.30862	0.3
186.99388	0.9
187.02692	0.5
189.00856	2.0
189.03998	0.9
189.05507	3.8
190.05930	0.6
190.98792	0.4
191.02469	0.7
193.03645	0.4
197.01418	0.5
197.03033	0.5
201.00891	3.8
203.02452	1.8
203.04030	22.7
204.04166	0.6
205.00444	1.1
205.03494	3.8
205.05423	0.6
207.04936	2.9
207.06772	1.6
213.00963	0.9
215.02338	3.4
217.03876	2.3
219.01845	7.7
219.04993	0.8
221.05052	2.6
223.04584	2.3
223.06674	1.0
225.00952	1.2
225.07796	0.5
227.02409	2.7
229.03900	1.7
231.01813	0.5
233.03073	6.9
235.04584	2.5
237.02847	5.5
237.06070	1.0
239.02493	2.6
241.03946	1.0
243.01993	6.2
245.03564	1.4
247.04591	6.7
251.04291	1.9
253.04086	1.2
257.03503	10.0
258.03479	0.4
259.04901	0.5
261.02899	1.1
261.06186	0.7
263.04541	1.5
265.05759	1.6
265.08099	0.7
267.04028	0.5
269.03568	1.5
271.05078	3.2
273.04544	0.6
275.04074	7.5
277.05859	3.6
281.05585	0.9
283.05063	0.8
287.04260	3.6
289.05518	2.8
293.05212	1.4
295.07025	9.1
301.06113	2.6
302.07333	0.4
303.06985	0.5
305.05682	18.9
306.05783	0.4
307.06613	13.0
313.06268	0.9
317.05472	0.7
319.07217	7.4
325.07513	1.6
331.07324	2.4
333.07822	0.6
337.08029	0.6
343.06940	0.5
349.07678	20.1
360.03705	0.3
361.07690	0.5
367.08151	0.5
377.07651	0.5
391.09097	0.6
394.37430	0.4
395.08206	1.0
409.10361	100.0
410.10422	1.9
427.11050	1.0
469.13022	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01862	2.1
55.05507	9.6
56.96564	27.2
57.03442	12.9
57.07082	55.1
59.05000	3.3
61.02932	18.9
67.05508	36.4
68.05840	6.7
69.03427	8.1
69.07058	8.9
69.61503	14.0
71.04996	4.3
71.08636	34.0
73.02922	15.8
73.06554	5.1
79.05482	6.4
81.03426	25.7
81.07056	19.7
82.07375	2.7
83.04977	3.5
83.08631	12.2
84.96046	4.5
85.02916	21.0
85.10181	26.1
87.04482	3.4
89.06039	100.0
91.03931	11.1
91.05495	11.0
93.07059	4.8
95.04962	5.5
95.08624	15.6
96.08955	4.4
97.02895	18.3
97.10160	6.4
98.97593	34.3
98.98523	2.7
99.04457	3.8
101.02386	4.5
105.07028	9.4
107.08598	7.1
109.02893	3.4
109.10167	25.4
110.10498	7.2
110.97576	9.7
111.04430	3.0
111.08044	2.3
112.99142	3.0
116.98627	6.7
117.07027	3.0
119.08607	3.6
120.08913	2.6
121.10124	3.4
124.99095	3.5
127.00795	2.2
127.03931	4.6
128.98608	7.7
131.00171	8.2
131.08519	3.5
133.08612	50.6
135.11681	2.9
136.11949	2.6
140.00230	2.9
140.98631	3.0
143.00157	7.3
145.87279	2.2
146.99692	4.5
147.03148	3.3
147.11717	3.7
149.01253	3.2
149.09599	2.5
156.03687	3.4
157.10121	2.6
158.01184	2.1
158.99666	18.9
161.01239	4.4
170.99672	13.3
171.23817	2.1
173.11714	2.1
175.11188	3.2
177.00726	7.1
177.11241	22.0
183.06616	2.9
185.04893	5.9
189.00716	5.8
191.02336	2.5
191.03857	3.4
193.12250	7.3
195.12299	2.6
201.00681	6.7
202.54691	3.2
203.02190	2.7
203.05917	5.8
213.22128	2.8
219.01810	4.9
219.05307	4.0
223.06335	2.7
228.05690	4.3
228.56262	2.3
231.10818	3.4
233.03497	2.5
239.14929	2.2
239.23711	4.3
240.23848	2.5
243.08957	2.9
249.07970	5.5
257.24768	9.9
259.09933	5.6
267.09039	50.5
267.15939	4.6
268.09268	3.6
283.12512	2.4
283.17508	38.9
285.10135	34.3
287.09558	4.7
290.10645	7.3
299.11691	11.7
301.27576	6.2
308.11719	3.5
313.20502	6.2
313.27332	16.9
314.27765	8.1
315.10959	72.2
315.61032	7.5
317.12744	10.2
321.04828	3.0
324.11581	18.8
331.12247	8.5
335.62302	6.7
338.16617	16.3
340.12729	13.3
347.17178	4.7
358.68216	7.9
362.20261	5.5
370.18381	2.3
387.22244	4.0
443.23029	89.1
443.73215	19.5
451.36395	29.0
459.24313	4.9
468.31387	4.1
468.37689	32.0
475.32590	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	468.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71328	0.2
56.05031	0.6
57.03435	0.7
57.36749	0.3
58.06607	0.6
60.07886	0.4
60.08170	6.1
66.85914	0.3
67.05500	0.5
69.03428	1.5
70.57743	0.4
70.58062	0.4
71.07370	2.5
73.02892	0.4
78.63558	0.3
81.03426	0.5
81.07066	0.6
85.02903	1.9
86.03238	0.3
86.09711	29.0
87.04465	0.5
91.05451	0.3
93.07056	0.6
95.04946	0.5
95.08611	1.7
97.02879	0.7
98.21400	0.4
98.98476	1.9
104.10744	2.9
111.04400	0.3
115.03909	0.5
121.10146	1.2
125.00012	18.7
129.07010	0.4
133.04974	0.5
136.07535	0.4
137.02286	0.3
139.11192	4.5
157.12257	11.3
164.07072	0.4
184.07350	100.0
185.07690	0.3
197.05992	0.4
200.04610	0.3
215.07085	1.3
230.05400	0.3
259.09583	1.7
303.04941	1.0
304.05344	3.7
305.05521	3.1
306.05850	5.2
450.22470	1.2
468.23605	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	468.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
55.05506	0.9
55.14233	0.4
56.05031	1.1
57.03433	1.3
58.06601	1.6
60.08166	16.0
61.02917	0.5
65.73418	0.4
66.82674	0.3
67.05497	1.2
69.03438	1.8
69.07048	0.4
70.03766	0.5
70.79832	1.1
71.04978	0.9
71.07371	5.9
73.02924	0.5
79.05479	1.8
81.03407	1.7
81.07049	1.4
83.04980	0.8
85.02902	4.0
86.03245	0.8
86.09708	44.4
87.03326	0.6
87.04461	0.5
91.05477	1.4
93.07030	0.8
95.04965	1.4
95.08611	1.1
97.02892	1.8
97.06518	0.5
98.98478	3.3
104.10747	100.0
105.07021	1.1
105.11058	0.7
107.08617	0.8
109.02823	0.5
109.06528	0.7
111.11750	0.5
115.03904	0.4
119.08597	0.7
121.10126	0.4
125.00006	28.2
127.03916	0.6
127.92477	0.4
131.08511	0.6
133.10107	0.4
137.02333	0.7
139.11221	0.5
141.06989	0.5
147.04419	0.4
147.11722	0.6
153.01877	0.5
154.02194	0.5
157.12274	1.4
159.08041	0.6
161.53815	0.4
163.01532	0.8
163.03957	0.5
169.06468	1.5
173.06105	0.6
175.03870	0.9
179.81358	0.4
184.07346	86.8
187.07597	1.0
197.06015	1.2
198.06807	0.4
200.04713	1.6
215.07030	4.1
229.04994	0.5
230.05356	0.8
241.08617	0.5
241.19772	0.4
257.04266	0.5
258.11023	0.6
259.09689	7.9
303.05084	4.4
304.05334	9.3
305.05502	8.0
306.05826	12.5
361.02426	1.0
369.54163	0.4
433.14484	0.5
450.22519	8.3
468.23615	44.6
469.23981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01862	2.6
55.05501	2.1
67.05490	4.9
69.07073	10.4
70.52765	1.8
70.53094	2.6
79.05503	11.8
81.03412	1.7
81.07056	3.2
83.04958	1.9
85.36418	1.2
89.03892	5.0
89.25111	1.4
91.05466	2.0
95.04958	4.6
97.02870	2.2
97.06536	22.9
105.07015	1.6
107.04945	1.9
117.03365	7.0
119.08543	1.4
133.10121	1.2
134.03641	4.1
135.04413	13.3
145.02869	13.4
148.29330	1.4
159.04279	1.6
163.03911	95.5
167.08557	2.3
173.02444	1.8
184.05223	1.6
195.08064	2.5
213.09055	1.7
215.07007	1.6
217.04970	1.7
241.08604	71.7
259.09680	100.0
267.95532	2.3
285.14355	1.5
436.96326	1.7
468.30911	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30877	0.9
55.01882	1.7
55.05510	1.9
67.05493	3.8
69.07057	3.1
69.46355	7.2
71.01347	4.1
77.97274	0.9
79.05479	2.7
82.33250	0.8
83.04974	4.4
86.09698	1.1
90.47571	0.9
92.22013	0.9
95.04967	13.5
97.06536	19.2
111.04426	3.0
115.05436	1.9
120.00838	0.9
123.04439	1.2
129.05482	1.5
131.08582	1.4
135.04451	1.9
139.03946	1.4
141.06963	3.6
143.08539	1.8
145.02869	1.1
147.04361	1.6
149.05972	1.9
157.10141	1.2
160.05211	7.5
161.05995	23.2
163.03908	29.9
165.05457	2.0
167.08600	2.2
169.06491	4.4
171.08073	2.1
173.05977	6.3
175.03880	4.1
175.07478	2.1
184.07382	2.0
185.06013	1.9
185.09593	2.1
187.07539	3.3
188.99945	1.0
189.05496	1.9
189.09117	33.6
195.08102	5.4
197.05969	1.8
200.04637	3.0
202.06296	1.1
203.10677	1.3
209.04485	1.7
213.09120	7.9
215.07031	43.3
215.10457	1.5
217.05020	1.4
217.08594	8.0
231.10191	5.1
233.08107	2.0
241.08527	3.8
249.11266	2.3
259.09662	100.0
277.10675	11.3
343.86554	1.0
433.15118	1.4
448.31305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.9
55.05515	10.6
56.96563	1.4
57.03424	4.0
57.07077	37.4
59.05000	2.4
61.02902	1.0
63.67519	0.9
65.03928	1.7
67.05503	88.9
69.07076	7.9
71.04982	2.8
71.08239	1.3
71.08630	24.7
71.55659	1.3
79.05480	3.0
81.03377	0.9
81.07058	25.5
83.08620	14.2
85.06533	2.3
85.10188	14.3
89.06048	1.5
91.05477	4.9
93.07040	3.6
95.08611	21.9
97.10186	7.4
98.98475	7.0
99.11726	1.2
107.08596	3.0
109.10158	65.8
111.08075	1.9
111.11737	1.1
119.08589	4.1
123.11670	2.8
133.10156	3.4
137.09619	1.8
137.13271	1.5
139.24107	0.8
153.22151	1.0
155.01028	9.2
155.10666	3.1
173.11749	21.2
221.22562	1.2
228.20490	1.5
239.23683	8.1
267.08994	2.1
275.33789	1.0
313.27356	23.7
315.10837	1.0
449.26685	3.8
467.37357	100.0
468.38049	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88684	0.6
55.05514	10.3
55.76904	0.5
57.03437	1.7
57.07078	29.4
59.04996	3.9
61.55526	0.7
65.03945	1.9
67.05505	80.0
69.07076	7.5
71.05002	3.2
71.08634	20.7
76.34647	0.7
79.05498	2.1
81.07057	23.3
83.08620	14.1
85.06547	2.4
85.10184	11.8
88.58173	0.5
91.05479	4.9
93.07043	2.8
95.08608	21.2
97.10178	4.1
98.20728	1.3
99.11750	0.9
105.07062	0.9
105.21431	0.6
107.08618	2.5
109.10161	61.3
110.10555	0.9
110.23661	0.6
111.08102	1.9
119.08570	3.8
123.11716	2.6
125.09649	0.6
125.13345	0.8
137.09627	2.6
137.13281	1.7
155.10660	3.9
169.32079	0.6
173.11731	18.0
191.60388	0.6
213.87996	0.6
239.23720	7.3
467.37378	100.0
468.37714	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82259	1.9
55.05502	9.6
57.03427	2.5
57.06839	2.1
57.07079	30.4
58.87502	1.9
59.04986	4.6
59.28436	2.2
67.05506	91.9
69.07075	9.7
71.04985	2.3
71.08631	22.4
71.55505	1.8
71.55932	2.8
79.80922	1.9
81.07063	30.9
83.08630	12.2
85.02917	3.3
85.06552	3.5
85.10194	15.8
89.06019	2.2
91.05472	6.8
93.07028	4.4
95.08613	23.4
97.02825	2.2
97.10146	4.0
105.07011	3.3
109.10157	70.4
111.08092	3.5
117.17004	2.2
119.08603	5.9
123.11716	5.4
124.93804	3.0
133.10156	2.5
155.10690	4.1
156.96431	2.1
173.11745	25.7
197.60101	2.1
221.41475	2.0
234.13403	1.9
239.23763	6.7
255.09029	6.1
260.62350	2.4
265.07501	4.0
273.10049	3.0
283.08453	6.2
313.27353	5.6
315.11273	2.4
323.10660	3.2
339.12100	7.5
467.21741	9.1
467.37338	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
54.83877	0.5
55.01867	1.0
55.05499	0.7
57.03427	0.7
59.71958	0.5
61.02935	1.3
66.96960	0.5
67.05518	0.9
69.03439	4.0
70.06578	0.6
70.99364	0.5
77.03954	0.5
81.03418	2.4
81.07076	1.9
85.02908	8.1
86.03238	1.2
86.09708	0.6
87.03302	0.6
87.04466	0.7
91.03947	0.7
91.05490	2.8
93.07050	2.3
94.06552	0.7
95.04983	1.2
95.08610	1.0
97.02888	3.2
97.06598	0.5
98.03258	0.6
98.97563	0.6
99.04465	1.1
108.04401	0.6
108.08134	1.5
109.02898	3.0
111.04470	0.5
121.02911	0.8
122.06039	3.5
124.07611	9.0
126.05544	0.9
126.09187	0.8
127.03915	1.9
133.10168	0.5
136.07584	97.0
137.02332	1.5
137.07961	0.7
138.02708	0.9
138.09152	0.8
140.07117	0.7
145.04956	1.7
149.05899	0.5
152.07074	23.9
152.08305	1.2
153.01848	1.7
154.02158	0.8
155.02251	0.5
159.11809	0.6
163.03850	0.8
163.44965	0.6
164.07076	100.0
165.01848	1.0
165.07503	0.5
166.08617	0.8
170.08173	0.7
177.05493	1.0
182.08133	4.0
184.07358	1.7
201.05446	0.9
212.09119	0.8
215.07108	0.7
224.09192	1.9
229.04980	1.2
230.05148	0.8
231.05565	1.0
241.73781	0.5
244.09720	0.6
244.71194	0.5
255.11134	0.7
257.04596	1.1
259.05002	1.1
259.09549	0.7
260.09067	0.6
272.09171	1.0
275.09351	0.5
276.05322	0.5
287.13925	27.0
303.05011	21.9
304.05365	20.2
305.05560	44.5
305.14883	3.4
308.11072	1.6
326.12201	0.6
347.16061	7.9
395.16098	2.6
413.17059	4.0
431.18341	3.4
467.15085	3.1
467.21472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01884	0.6
56.96569	0.6
57.03444	0.7
58.55151	0.5
61.02950	0.8
65.03957	0.6
67.05513	1.6
69.03435	2.3
71.21819	1.0
79.05490	1.4
81.03434	2.6
81.07053	2.4
85.02921	2.9
86.09728	1.2
91.05483	2.9
93.07056	2.0
94.06557	0.9
95.04964	2.1
95.08604	1.7
96.08141	1.3
97.02893	1.7
97.06576	0.9
99.04473	0.8
105.06985	0.9
107.08585	1.1
108.08128	1.3
109.02905	2.7
109.10129	1.1
119.08556	1.3
120.08129	1.0
121.02857	0.8
122.06042	3.9
123.04440	0.8
123.08121	0.7
123.16291	0.6
124.07597	11.3
126.05531	1.1
127.03967	2.0
133.05023	0.6
135.04446	0.6
136.07584	93.2
137.02351	2.3
137.05981	0.8
140.07040	1.3
143.08664	0.9
145.10138	0.8
149.02345	0.6
150.05545	0.6
152.07068	26.1
159.11642	1.0
163.03914	1.1
164.07071	100.0
165.05466	0.6
165.07365	0.7
166.08600	0.8
170.08144	1.9
181.04965	0.7
181.10222	0.6
182.08154	4.9
183.11726	0.9
184.07327	0.8
198.96869	0.6
240.77417	0.6
260.09232	0.7
269.12909	0.9
272.09280	0.7
275.09091	1.3
278.10107	0.8
287.13916	22.3
287.17151	1.2
296.11169	1.1
303.04868	1.9
305.14990	6.2
308.11243	2.2
314.12234	0.8
326.12180	0.8
347.15796	1.4
369.74475	0.5
413.17020	3.7
431.18073	4.5
449.19223	2.8
467.15125	11.5
467.21652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.316
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03934	3.0
55.01869	2.5
55.05510	15.6
57.07056	5.6
65.03933	4.2
67.05502	23.1
69.03426	11.1
69.07076	13.5
69.19150	19.1
70.17836	1.8
79.05480	19.7
81.07057	43.1
83.04986	22.4
83.08612	5.1
87.10451	1.9
91.05476	26.3
93.07042	46.4
95.04960	17.0
95.08607	43.0
97.02879	3.3
97.06518	5.0
98.20808	4.5
105.04495	2.5
105.07034	47.6
107.08589	47.3
109.06523	9.6
109.10154	22.0
111.04427	19.1
111.08070	4.1
113.06022	2.7
117.07015	13.6
119.08581	64.9
121.06490	7.0
121.10144	70.5
123.08080	16.3
123.11705	25.8
124.08395	2.8
125.05950	9.0
127.07546	2.9
128.06244	2.8
129.07010	12.2
130.07806	3.3
131.08569	30.6
133.06485	2.7
133.07541	2.6
133.09129	2.5
133.10139	45.2
135.08064	7.7
135.11676	38.4
137.05972	16.9
137.09599	3.8
137.13199	2.3
139.07533	3.7
141.07028	2.5
142.07774	5.5
143.08568	19.9
144.09361	3.5
145.10129	41.8
147.08022	13.8
147.11682	29.1
149.09642	5.0
149.13246	8.1
153.09203	2.0
155.08557	11.8
156.09297	3.6
157.10114	23.0
158.10909	3.0
159.08115	11.3
159.11702	37.4
161.09613	14.9
161.13251	16.7
163.11194	5.6
163.14847	3.0
167.07082	7.8
167.08545	4.0
168.09142	2.0
169.10118	18.3
170.10880	2.7
171.08067	2.1
171.11673	20.3
172.12419	2.4
173.09633	20.8
173.13231	30.0
175.11194	12.2
175.14854	14.0
177.12773	7.0
177.16281	2.2
179.10591	2.4
181.10124	2.8
182.10860	2.4
183.11710	12.2
185.09644	2.9
185.13297	16.0
187.11224	8.6
187.14854	18.5
187.16597	2.5
189.12744	11.0
189.16347	5.3
191.10689	3.7
193.10175	2.2
195.11626	6.4
197.13248	14.1
199.11130	2.8
199.14806	13.6
200.11990	2.4
201.12743	14.4
201.16414	5.8
203.14307	13.2
205.15849	2.8
207.11827	3.8
207.13783	4.0
209.13246	7.1
211.11084	2.3
211.14824	8.6
213.12715	6.4
213.16357	6.0
215.14288	29.6
215.17856	3.8
217.15912	19.0
219.13791	11.0
221.13440	3.4
221.15417	8.3
223.14853	2.7
225.12654	3.1
225.16371	2.9
227.14311	7.8
229.12195	3.4
229.15910	13.6
231.13908	5.2
231.17407	3.8
233.13239	3.6
233.15338	25.5
235.14771	4.5
235.16931	6.3
237.16396	2.4
239.18010	3.2
241.19524	2.5
245.15393	5.7
247.16907	10.3
249.16412	2.9
251.17970	3.3
253.19447	2.5
259.17017	3.3
265.16061	2.0
267.17575	3.5
267.20859	2.1
273.18616	2.5
277.19336	2.6
295.20642	2.3
309.22223	2.8
325.21466	3.7
327.23163	2.7
335.23776	2.0
337.25281	4.2
339.26764	2.4
343.23697	2.4
346.26462	2.0
353.24802	4.3
375.23224	2.5
389.24524	2.7
393.24213	6.0
403.30142	3.1
407.25174	4.0
407.29636	5.8
421.22598	2.5
421.30984	16.6
431.29321	31.6
449.30472	100.0
467.31479	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.05508	2.3
57.03439	3.9
57.07057	0.7
61.02925	1.8
67.05508	16.2
69.03416	1.1
69.06726	0.5
69.07072	5.4
69.40461	2.6
71.04980	1.2
73.02905	1.5
79.05498	8.7
81.03427	0.4
81.07059	28.4
83.04977	1.4
83.08620	4.1
85.02924	3.1
85.06541	1.4
87.04481	0.5
91.03956	1.1
91.05480	4.0
93.07049	16.5
95.04963	1.1
95.08613	7.3
97.02919	2.5
97.06519	4.3
97.10183	0.8
98.20723	0.6
99.08091	1.3
105.07024	1.6
107.08595	9.4
109.06489	0.6
109.10144	1.3
111.08095	2.0
111.11716	0.6
115.03922	1.4
116.18902	0.3
117.07021	2.3
119.08595	0.6
121.06476	0.8
121.10147	6.4
127.03903	0.8
131.08548	2.6
133.04985	1.2
133.10143	3.0
135.08089	0.5
135.11693	4.0
137.13248	2.2
139.11174	1.0
145.04938	0.7
147.11676	0.4
149.13268	16.0
151.11206	0.5
154.22324	0.3
159.11700	6.5
163.46196	0.4
167.14372	0.4
177.12753	2.9
195.13820	5.2
216.68665	0.3
269.17487	100.0
270.17853	0.6
287.18567	0.7
294.80994	0.4
304.05368	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01863	1.4
55.05508	0.6
57.03443	3.5
57.07068	1.4
59.05024	0.4
61.02933	2.6
65.03970	0.6
67.05508	3.6
69.03429	6.3
69.07070	2.6
69.33109	1.2
69.33534	1.7
71.01338	0.4
71.05001	0.3
73.02922	10.7
77.15961	0.3
79.05495	7.4
81.03422	1.1
81.07058	100.0
84.47834	0.3
85.02908	17.1
87.04522	0.8
89.54687	0.3
90.29881	0.3
91.03967	0.9
93.07050	0.8
95.08608	16.5
97.02898	12.5
99.04469	0.8
103.03956	1.0
109.02907	1.9
109.10178	1.0
115.03929	6.8
119.11970	0.3
121.10207	0.3
127.03919	5.9
133.04977	10.1
137.13260	24.0
145.04970	9.1
150.07619	0.6
154.15981	0.9
163.04701	0.6
163.06013	5.9
193.05080	0.5
199.49554	0.3
217.07123	0.7
223.06023	1.9
241.07124	2.7
259.08151	4.9
277.09271	1.2
295.10294	3.2
469.27594	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	466.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06833	0.5
57.07078	5.3
58.06586	1.2
59.67319	0.4
60.32357	0.4
65.03929	1.7
67.05500	1.0
68.05021	0.5
69.03394	0.5
69.78621	2.1
70.06594	11.5
71.08620	1.8
77.88402	0.5
79.05515	0.5
81.07061	1.1
85.10196	0.6
88.07099	1.0
88.07630	16.1
91.05501	0.7
93.07039	1.0
95.08584	0.4
102.09185	12.0
105.07015	0.5
107.08605	1.0
121.02873	0.8
132.10236	0.5
133.10146	0.8
136.20058	0.4
139.03970	0.6
142.61647	0.4
149.02354	46.1
149.03419	3.0
149.13348	0.5
149.35284	0.5
193.04970	47.1
212.23657	0.7
234.59004	0.5
237.07576	52.7
256.26352	39.7
269.73099	0.4
300.29099	1.7
304.05423	0.7
447.62344	0.5
448.29858	0.6
466.31650	100.0
467.31998	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.01868	4.2
55.05518	25.9
56.16097	1.3
57.03436	17.6
57.07081	2.5
59.04995	1.7
65.03923	3.8
66.92348	1.3
67.05509	67.2
69.03426	4.7
69.07079	18.3
69.49886	4.5
69.50314	5.2
71.01345	2.1
71.04999	7.7
79.05497	62.0
81.03420	51.5
81.07064	39.7
83.04990	20.8
83.08626	20.2
85.02911	21.5
85.06529	3.2
91.05489	51.2
93.07048	60.8
95.04972	39.2
95.08603	16.8
97.02890	3.5
97.06525	12.1
97.10175	12.8
99.08104	3.4
105.04485	1.7
105.07040	26.1
107.04974	8.8
107.08599	38.9
109.06546	7.5
109.10172	8.7
111.04456	4.0
111.08086	10.9
113.06025	2.4
117.07028	8.2
119.08598	22.8
121.06509	5.5
121.10160	12.0
123.08080	5.3
125.09658	3.7
129.07011	12.2
130.07813	2.3
131.08565	11.7
133.06480	1.7
133.10139	13.4
135.08066	2.8
135.11700	43.7
137.05968	2.0
137.09613	2.6
141.07045	1.7
142.07802	3.5
143.08557	2.2
145.10136	13.9
147.08047	3.9
147.11700	12.9
149.09669	6.7
151.11224	1.9
155.08479	1.4
157.10092	11.2
159.11710	3.3
161.09581	1.8
163.11218	7.9
165.12791	3.3
169.10118	1.9
169.80064	1.4
171.22462	1.5
175.11215	10.6
177.12694	1.5
181.12238	9.4
187.11211	2.0
189.11238	1.8
193.12267	41.9
194.00098	3.0
211.13293	49.0
249.14928	3.3
255.16037	10.5
267.15924	10.3
285.17072	1.8
303.05038	17.5
329.21057	5.4
355.22757	3.9
373.23767	7.6
391.24832	1.6
403.25000	3.6
421.25922	4.5
447.27371	22.1
465.28522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2331
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
50.46852	1.8
51.02398	2.2
53.03938	6.3
53.93538	1.7
54.12790	1.9
55.01863	5.5
55.05502	8.1
55.43143	1.9
56.43132	1.9
57.03443	15.2
57.07030	2.0
59.05011	3.5
61.02932	11.7
67.05499	7.8
69.03429	53.5
69.07072	5.8
69.93970	3.8
69.94362	5.8
71.04980	4.2
72.08160	3.7
72.77825	1.8
73.02927	10.1
79.05489	21.1
81.03419	6.2
81.07053	16.6
83.04971	7.6
83.05424	2.2
83.08588	2.2
85.02907	52.1
87.04474	32.2
91.03968	6.1
91.05486	24.1
93.07045	86.8
95.04960	11.6
95.08604	19.8
97.02895	46.4
97.06542	5.8
99.04442	4.0
103.03969	2.9
105.07041	18.3
107.04974	2.9
107.08601	100.0
109.02862	4.2
109.06522	5.7
109.10159	6.9
111.04440	2.7
111.08153	2.5
115.03934	45.9
117.07066	2.8
119.04958	4.0
119.08566	10.2
120.08101	5.0
121.10146	12.8
123.04438	2.5
123.08135	3.4
127.03909	9.7
131.08572	4.4
133.04977	52.6
133.10139	6.6
135.08069	2.9
135.11699	87.0
137.02321	4.0
137.05968	3.4
137.13275	2.5
143.08519	2.8
145.04935	9.0
145.10153	3.7
147.04442	18.7
147.11665	4.8
149.13268	2.4
153.01865	5.6
153.12755	23.9
159.11708	6.2
163.06027	2.8
164.07114	2.6
168.76006	2.2
173.09625	3.8
175.11290	2.8
177.05463	4.6
177.12798	9.6
185.13298	2.8
193.12317	3.2
199.05922	2.3
213.12727	2.6
219.13779	3.7
229.05014	5.7
231.13737	3.7
249.14937	4.9
254.43520	2.2
257.04416	4.1
259.08087	2.3
261.14853	2.2
267.15924	7.9
273.07565	3.4
277.09183	2.5
303.04990	95.2
430.04300	2.3
462.78885	2.2
465.13251	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	465.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43146	0.8
53.03926	2.5
55.01849	1.9
55.05511	11.2
57.03436	8.5
58.53408	0.9
61.02912	2.3
66.45286	0.8
67.05500	13.5
68.23553	0.8
69.03437	5.2
69.07066	4.4
70.06573	1.0
70.82563	0.7
71.05016	2.9
79.05492	15.3
81.03419	61.9
81.06604	1.1
81.07060	17.4
83.04568	1.3
83.04991	13.6
83.08166	1.1
83.08621	20.9
85.02905	17.7
86.09692	1.3
87.04492	1.1
91.03946	1.4
91.05478	22.2
93.06476	1.4
93.07037	11.0
95.04970	21.6
95.08614	5.8
97.02911	5.3
97.06523	3.5
97.10148	3.4
99.04462	1.0
99.08051	1.7
105.07032	16.4
107.04949	4.7
107.08581	5.9
107.51716	0.8
109.06511	2.7
109.10143	2.0
111.04438	2.6
111.08083	10.9
113.05988	1.7
114.24461	0.9
117.07014	1.8
119.04935	2.0
119.08577	13.4
120.08063	1.1
121.10151	7.0
123.08086	1.6
123.11700	2.0
125.09592	1.8
127.03921	1.3
129.07028	7.1
131.08559	12.4
133.06500	2.6
133.10123	6.8
135.08156	1.0
137.02368	1.5
137.09651	1.3
142.07765	2.5
145.04753	0.8
145.10088	1.5
147.08018	1.9
147.11705	12.9
149.09633	5.9
157.10132	11.7
165.12773	4.1
175.11172	13.7
184.07372	2.4
193.12248	70.0
211.13287	66.3
211.16257	1.2
221.78131	0.9
229.14340	2.0
257.12793	1.5
267.15906	27.8
271.24139	1.0
285.16971	100.0
286.17313	2.1
303.04990	22.8
303.13333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.4
57.03431	0.3
63.06863	0.3
67.05489	0.4
69.03436	0.9
69.46904	1.3
69.47322	0.7
70.06583	1.2
73.02888	0.3
73.21549	0.3
74.06064	0.3
79.05484	0.4
81.03404	0.4
81.07075	0.8
83.05003	0.4
84.04478	0.3
84.68336	0.3
85.02893	1.6
85.06589	0.3
86.09714	0.4
91.05490	0.6
93.07072	0.3
95.04987	0.4
95.08589	0.4
97.02906	0.9
98.21445	0.6
98.97598	0.8
102.05529	0.4
105.06985	0.3
109.02874	0.4
109.06404	0.3
111.00732	0.4
115.03931	0.4
119.04930	0.3
121.02861	0.4
124.03931	0.4
127.03985	0.6
135.04424	0.5
137.02356	1.3
137.05888	0.4
144.13850	1.1
145.04964	0.4
147.04451	1.0
149.05952	0.3
153.01834	1.1
158.99677	0.4
163.03897	0.6
165.01787	0.4
171.10001	1.1
174.04594	0.3
183.02892	0.4
201.05496	0.4
218.08160	0.9
219.08507	0.8
228.06586	0.3
229.04970	1.4
246.07608	0.7
247.08020	0.7
257.04446	1.0
303.04999	28.7
303.22589	0.4
304.05392	0.6
317.08536	0.3
333.15207	7.8
377.17352	0.3
421.13327	0.8
423.14526	0.5
465.19489	100.0
466.19992	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.47060	0.2
51.13725	0.2
55.01855	0.3
57.03430	0.5
61.02929	6.2
65.03941	0.3
68.99791	0.6
69.03433	1.4
69.05152	0.2
69.83602	0.6
69.84010	0.3
73.02914	2.1
81.03394	0.5
85.02908	6.2
91.03958	3.8
92.50948	0.2
93.07006	0.3
97.02897	3.5
99.04459	0.4
107.08583	0.2
109.02874	0.7
111.00798	0.9
115.03924	0.4
121.02881	1.1
123.04431	0.3
127.03934	1.2
133.05019	0.2
135.04388	0.2
137.02341	3.3
145.04971	0.8
148.55696	0.2
149.02330	0.5
151.76035	0.2
153.01830	3.7
155.13629	0.2
163.03876	0.6
165.01875	2.0
166.02614	0.3
173.05991	0.4
177.01736	0.2
183.02878	0.5
183.04416	0.4
187.03880	0.3
195.02893	0.2
201.05469	1.6
228.04166	0.3
229.04962	5.2
247.05983	0.9
257.04492	2.7
270.80267	0.2
274.04654	0.7
285.04037	1.4
303.04996	100.0
304.05328	1.3
369.06186	0.4
404.77975	0.2
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-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	0.6
53.48149	0.3
53.89932	0.3
55.01857	0.6
57.03431	0.7
61.02923	1.7
61.03179	0.3
65.03930	0.3
68.99789	0.7
69.03434	3.6
70.26344	0.3
70.26692	1.1
71.04990	0.5
73.02901	0.5
81.03429	1.8
81.57813	0.3
85.02905	10.2
87.04473	0.3
91.03944	0.6
95.04966	0.4
97.02894	3.5
98.20863	0.3
99.04447	0.4
102.93468	0.3
107.26263	0.4
109.02880	1.5
111.00801	1.2
121.02882	0.9
127.03932	2.0
137.02359	3.2
139.88289	0.3
145.04956	2.0
149.02328	0.5
153.01807	4.5
163.03937	1.0
165.01837	2.4
165.03023	0.4
173.05998	0.4
183.02852	0.8
183.04370	0.4
187.03877	0.4
191.03410	0.3
201.05469	2.7
213.05496	0.4
219.06482	0.5
228.04343	0.4
229.04929	5.1
247.05974	0.7
257.04526	2.3
274.04791	0.9
285.03845	1.6
298.60663	0.3
303.04990	100.0
304.05386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.78875	0.1
53.03933	0.6
55.01859	0.6
56.24729	0.1
57.03423	0.7
61.02922	1.7
65.03964	0.2
68.99786	0.6
69.03425	3.3
70.94653	0.4
71.04981	0.4
73.02906	0.4
81.03426	2.0
83.01289	0.2
85.02903	10.3
86.00122	0.1
87.04461	0.2
91.03945	0.6
93.03419	0.3
95.04938	0.2
97.02886	3.4
99.04443	0.6
109.02880	1.4
111.00805	0.9
121.02890	1.1
127.03916	1.9
137.02336	3.8
137.03400	0.3
137.06046	0.1
140.25128	0.1
145.04958	1.7
145.06119	0.2
145.06471	0.2
149.02351	0.5
153.01823	4.3
155.04964	0.3
161.05991	0.3
163.03923	0.8
165.01833	2.3
166.02580	0.3
173.05949	0.5
183.02884	0.9
183.04318	0.3
187.03989	0.4
195.02893	0.3
201.05453	1.7
205.04938	0.3
211.03876	0.3
213.05511	0.2
219.02977	0.2
219.06485	0.3
228.04205	0.2
229.04970	4.4
239.03337	0.2
247.06026	0.7
257.04446	2.9
274.04724	0.6
275.05518	0.2
285.04007	1.2
297.27014	0.2
303.04977	100.0
304.05377	1.2
315.04996	0.3
345.05646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01867	3.1
55.05516	0.7
57.03440	6.1
57.88137	0.7
61.02929	9.1
62.06107	0.7
67.05521	1.4
69.03434	16.7
70.06593	1.7
70.80743	0.6
70.99279	1.3
70.99617	1.2
71.01356	0.8
71.04992	2.4
73.02914	5.3
74.06090	1.0
74.09724	1.2
79.05489	1.2
81.03417	8.4
81.07055	1.0
83.01337	0.7
83.04955	1.1
84.04512	1.4
84.08160	1.0
85.02906	100.0
86.03252	0.6
86.09730	1.5
87.04466	2.7
90.04382	0.6
91.03959	4.7
91.05483	1.1
93.07027	1.0
95.04956	0.8
95.08614	3.1
97.02895	27.2
98.97589	2.2
99.04443	4.8
103.05502	0.8
105.03400	1.3
105.07036	5.9
107.08575	1.4
109.02879	9.1
111.04453	0.8
115.03937	3.0
117.07004	0.7
119.08569	0.7
120.08110	1.6
121.02868	2.1
123.04475	0.7
123.08073	1.4
127.03920	29.6
133.04958	1.2
133.10164	0.8
135.04422	1.5
135.08080	0.7
137.02432	0.7
145.04961	58.7
146.06071	2.1
147.04442	0.8
147.06372	1.5
147.08083	1.5
149.09636	0.9
153.01808	0.7
153.05524	2.2
161.13306	0.7
162.69792	0.6
163.03976	3.2
163.06013	20.2
163.07422	1.3
164.04173	0.9
172.99179	0.6
173.03012	1.0
174.33510	0.8
187.07529	0.7
189.12810	0.7
207.13887	1.7
220.83754	0.6
225.66011	0.7
229.05272	0.8
231.10382	1.6
237.00418	0.6
243.08766	6.3
244.09631	3.1
249.11246	1.3
267.08792	0.8
272.09439	0.7
285.13345	5.6
285.38211	0.8
295.68878	0.8
302.19754	0.8
303.05029	9.4
307.13953	1.2
317.16104	1.4
325.11414	1.5
340.35284	0.6
378.15341	4.6
379.16217	0.8
398.18848	0.9
436.43018	0.7
464.21878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
60.04510	4.8
61.02934	4.8
65.03939	2.5
67.05497	6.9
69.03441	16.4
69.62341	7.7
69.62756	3.7
70.06605	3.3
71.04984	2.3
72.04489	1.9
79.05484	11.3
81.03424	11.6
82.06577	8.9
84.04507	2.7
85.02907	24.8
86.06084	2.7
87.04449	4.5
91.05480	7.0
94.06577	7.8
95.04956	12.7
95.06093	2.1
96.04486	3.2
97.02898	12.7
98.06048	8.2
105.07026	3.6
107.04951	9.6
109.02863	6.2
110.06027	7.1
112.03970	3.8
116.07084	21.3
118.06558	3.2
119.04918	4.2
120.04453	3.8
121.02856	5.5
122.02380	3.6
122.06046	11.8
123.04428	3.2
123.06919	1.9
124.03932	5.8
124.07574	3.8
126.05501	3.0
127.03896	3.6
128.03423	3.2
132.08107	5.7
134.06023	5.9
135.04419	10.6
136.03967	2.2
136.07559	5.6
137.02342	6.9
137.05960	3.7
138.05504	19.0
139.03880	12.3
140.07010	2.2
146.05981	3.1
147.04395	3.8
148.07507	3.5
149.05923	2.6
150.05463	3.6
150.09119	8.7
152.07065	7.7
154.04942	2.4
160.07571	6.6
161.05934	3.0
162.05499	7.6
163.03934	8.4
164.07059	4.2
172.71855	1.8
175.03941	3.2
176.07103	4.3
177.05362	1.9
178.08630	4.3
180.06517	4.2
181.04910	5.0
182.08105	3.1
183.06493	5.2
188.07085	8.3
189.05464	6.7
190.04941	3.6
191.03394	6.4
193.05002	3.9
194.08105	2.4
204.06595	4.7
206.08141	6.7
207.06480	3.1
208.06160	2.6
211.06046	10.1
213.66299	2.0
216.06593	9.5
217.04994	4.3
220.09750	3.3
222.07660	2.4
224.09138	6.9
226.06926	2.2
234.07611	15.1
238.10799	18.9
240.08687	30.6
240.12303	4.7
241.07089	4.1
248.09157	3.0
252.08693	25.5
266.10245	27.2
270.09686	8.0
284.11298	100.0
302.12357	49.9
341.18143	2.6
387.21750	2.4
446.16263	6.1
464.11359	3.2
464.17682	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.2
57.06827	3.1
57.07077	33.1
57.66190	1.9
58.15160	1.7
67.05495	5.4
69.07072	25.8
71.08628	23.0
71.56045	2.4
71.56430	3.7
79.05478	3.8
81.07053	20.0
83.08619	13.7
85.10190	15.1
91.05473	3.2
93.07050	5.9
95.04977	1.8
95.08605	17.8
97.10158	11.2
99.04431	4.8
105.07028	8.5
107.08582	5.8
109.06509	14.0
109.10129	11.3
111.11730	4.8
113.00014	4.4
119.08569	2.7
121.06463	3.6
121.10146	4.2
123.08091	10.5
123.11703	3.6
125.06005	16.9
125.09563	2.0
127.07550	45.1
131.08624	2.5
133.10152	4.8
135.08052	3.2
135.11737	3.4
137.05986	3.4
137.09590	3.8
139.07539	100.0
149.05971	4.4
149.09683	3.1
149.13342	2.3
151.07547	7.7
165.09056	3.6
167.07085	5.1
169.02632	5.4
169.08598	3.4
175.14926	2.7
177.09131	16.1
203.14386	2.3
207.13652	2.9
249.15005	1.9
279.54092	2.4
301.28995	4.0
319.30020	12.9
347.33102	14.7
373.30936	5.1
403.35507	2.5
417.37234	16.2
427.35608	4.6
445.36731	56.0
463.37830	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
52.12420	1.9
54.53495	1.9
55.05509	16.5
57.07080	33.4
67.05494	7.5
69.03436	2.2
69.07069	33.3
70.01553	6.7
70.01957	3.3
71.08632	26.5
79.05497	4.8
81.07059	22.2
83.08624	17.0
83.87039	1.7
85.10189	17.0
91.05457	3.0
93.07030	9.5
95.04926	2.5
95.08617	22.1
97.06544	5.3
97.10172	10.3
99.04450	5.0
105.07027	7.1
107.08579	6.2
109.06550	9.9
109.10178	7.6
111.08097	3.8
111.11716	6.9
119.08562	5.9
121.06476	2.3
121.10106	2.9
123.08080	12.2
123.11685	2.1
125.05987	16.8
127.07558	44.4
131.08563	3.3
133.10115	3.6
133.82874	2.2
135.08089	3.0
137.05971	7.7
137.13269	2.6
139.07538	100.0
149.06030	3.3
149.09616	4.4
149.13176	2.0
151.07576	8.1
159.11734	2.9
161.13234	3.6
163.07504	2.5
165.09129	2.5
167.07079	8.4
173.09749	2.0
177.09077	17.9
179.10649	2.4
179.58989	2.2
184.32314	2.0
193.12270	2.8
195.10069	2.0
237.32635	2.0
269.86191	1.9
301.28586	3.3
319.29974	13.4
347.33044	14.6
373.31299	4.7
399.36453	3.1
403.35812	3.5
417.37277	18.6
427.35709	5.9
445.36786	81.6
463.37851	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20306	1.2
53.03944	4.2
55.01871	7.1
55.05510	13.0
55.84789	1.2
57.03439	16.4
61.02937	19.3
67.05508	19.5
68.14998	1.2
69.03139	1.2
69.03431	12.9
69.07064	7.3
71.01342	3.0
71.04986	4.3
71.54220	2.0
73.02931	11.4
79.05496	23.0
81.03423	18.0
81.07057	19.5
82.04201	3.1
83.04987	10.8
83.08623	10.6
85.02915	19.3
85.06527	1.6
89.03914	6.7
91.03954	8.9
91.05488	17.7
93.07052	25.3
95.04966	15.1
95.08613	21.2
97.02898	17.7
97.06522	5.9
97.10159	5.8
98.07339	1.6
99.04445	12.8
100.11214	1.9
101.02370	2.5
103.03925	1.9
105.07046	12.7
107.04967	10.6
107.08600	19.5
109.02884	8.7
109.06532	3.8
109.10143	5.2
111.04438	4.0
111.08070	3.9
113.06033	1.6
116.04695	6.1
117.03400	8.0
117.05521	1.6
117.07000	5.6
119.07321	2.8
119.08584	15.2
121.06508	3.7
121.10168	10.9
122.51965	1.4
123.08044	5.2
123.11741	2.1
125.09637	4.8
127.03920	16.8
129.05486	16.9
129.06982	2.6
131.08565	4.2
133.10165	7.9
134.09662	26.5
135.04410	14.8
135.08043	3.4
135.11688	27.8
137.09607	2.0
143.07011	5.0
143.08517	2.8
145.02853	11.6
145.04904	2.9
145.09090	1.6
145.10141	18.1
146.05998	1.3
147.04359	1.3
147.11690	4.9
149.09621	1.6
155.08484	1.3
157.08598	11.2
157.10110	6.4
159.11697	3.4
161.62471	1.5
163.03918	78.3
163.09877	2.7
163.11195	42.1
169.10136	3.2
171.10149	4.1
171.11604	3.0
173.09532	2.8
175.11153	2.2
181.04924	1.7
181.12173	6.6
183.11658	2.1
185.13222	2.4
189.11255	4.4
191.10837	1.6
193.10355	1.2
193.12221	3.7
195.11652	2.0
199.14993	1.7
200.14098	3.0
201.07593	1.4
209.11728	3.0
210.12668	3.0
210.14685	2.1
227.12793	62.1
267.16107	2.3
267.32764	1.3
283.08411	9.3
283.15414	100.0
284.15765	2.1
285.16806	2.0
301.16443	22.3
319.08109	6.8
337.09235	4.5
343.17535	1.7
351.17679	1.8
365.57266	1.5
440.52478	1.5
445.20862	2.7
445.26920	1.6
463.12408	5.4
463.21744	4.0
463.27847	3.0
469.23276	1.5
472.06296	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2897
Annotation	Lucidenic acid N
Peak:m/z	Relative Intensity
51.46562	0.9
53.03949	5.6
55.01862	3.1
55.05511	16.4
57.03439	4.9
57.07061	1.1
60.89110	1.1
65.03936	1.8
67.05507	44.4
69.03448	1.6
69.07067	11.3
71.04978	3.8
75.64430	1.0
77.49239	1.1
79.05498	34.8
81.03421	54.0
81.07058	44.0
83.04996	7.6
83.08622	19.9
85.02898	1.3
85.06547	3.1
91.05482	32.6
93.07046	37.4
95.04971	24.4
95.08607	14.2
97.06537	5.8
97.10178	6.0
97.51511	1.1
99.08081	2.1
100.64046	1.1
103.05448	1.4
103.06579	1.2
105.04513	1.1
105.07036	17.4
107.04958	7.6
107.08593	18.1
109.06518	4.0
109.10163	6.3
111.08073	7.4
115.05430	1.5
117.07018	9.4
119.04939	1.4
119.08587	17.1
121.06508	5.9
121.10139	12.8
123.08089	3.7
123.11698	1.0
125.09644	4.0
129.07018	10.4
131.08578	19.6
132.49315	1.0
133.06509	4.2
133.10150	9.4
135.08081	3.5
135.11691	4.5
137.09622	1.4
142.07819	2.6
143.08575	5.5
145.06522	3.8
145.10153	4.2
147.08061	4.7
147.11664	7.6
149.09616	4.1
149.13261	16.0
155.08583	2.3
157.10133	9.5
159.08060	1.5
159.11691	9.4
160.22884	1.0
161.09663	2.0
169.10120	2.4
171.08002	1.6
171.11665	2.2
175.11188	7.8
177.12729	4.8
183.11710	2.7
185.13223	2.4
187.11223	1.4
189.09200	1.3
189.11142	3.2
193.12262	21.0
195.11696	1.4
195.13832	3.2
197.13370	1.5
199.14899	2.1
203.14330	1.2
205.12308	1.0
217.15953	3.5
227.12608	1.5
229.43533	1.0
231.13965	1.3
249.14874	3.8
257.15320	1.5
269.17447	1.1
272.63177	1.1
275.16339	1.0
343.22720	3.6
351.23303	4.1
361.23883	1.6
369.24243	9.5
387.25256	5.1
397.28149	1.3
405.26254	2.2
407.20068	1.2
417.26474	5.0
425.26511	1.4
443.27838	11.5
461.28992	100.0
462.29117	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10645	1.6
52.65606	1.9
53.03939	5.3
55.01869	3.4
55.05516	16.2
57.03425	6.6
57.07059	2.5
67.05505	39.5
69.03442	2.8
69.07072	14.8
71.04997	1.7
71.55146	2.3
71.55524	2.0
79.05495	35.9
81.02946	2.4
81.03419	47.4
81.07064	43.6
83.04988	5.6
83.08614	15.2
85.06541	2.1
91.05484	31.8
93.07045	37.7
95.04969	23.5
95.08612	21.5
97.02922	2.6
97.06552	5.5
97.10180	7.6
103.05435	2.8
105.07027	21.5
107.04950	11.2
107.08588	21.5
109.06547	2.9
109.10154	6.6
111.08098	6.8
113.09569	1.7
115.90691	1.6
117.07008	11.3
119.08564	15.5
119.19392	1.6
121.06518	8.0
121.10155	11.4
123.08106	3.2
125.09649	4.7
129.03653	1.7
129.07011	12.5
131.08580	13.7
133.06499	5.0
133.10167	9.8
135.08063	2.6
135.11699	5.8
143.08594	5.3
145.06459	3.6
145.10143	7.6
147.08061	5.0
147.11699	6.5
149.09650	4.9
149.13263	13.5
157.10182	7.9
159.08087	2.0
159.11739	7.3
169.10146	1.8
171.11766	2.4
173.13266	2.4
175.11186	4.5
177.12730	4.5
179.08644	1.6
193.12225	16.8
195.13896	3.7
198.05716	1.8
212.99942	1.8
217.15842	2.4
273.18484	2.0
314.12912	2.2
334.31113	5.4
343.22723	5.1
351.23169	5.3
361.23691	3.1
369.24475	8.4
387.25204	6.6
391.92474	1.8
417.26309	9.0
443.27805	11.4
461.29031	100.0
461.37219	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	461.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01863	2.4
55.05281	0.9
55.05511	8.3
55.46907	1.0
56.96535	1.4
57.03424	3.4
61.02904	1.2
62.15382	1.2
64.49184	1.0
67.05507	23.5
69.07072	7.0
69.27885	9.7
71.05000	1.2
71.86806	1.1
73.02940	1.2
73.06565	1.6
79.05497	33.8
81.03429	6.3
81.07058	22.7
83.04989	6.7
83.08630	4.9
85.02916	2.1
85.06551	1.8
91.05484	28.5
93.07044	34.6
95.04977	10.0
95.08606	12.6
95.24049	1.1
97.02895	3.1
97.06520	3.7
97.10188	2.1
98.21517	2.1
101.06044	1.0
105.07036	20.4
107.04990	4.8
107.08607	9.8
109.06490	4.3
109.10136	3.0
111.08106	1.8
115.05466	1.2
117.07001	5.1
119.08588	12.0
121.06512	2.4
121.10152	2.9
123.04424	1.1
123.08051	3.8
127.48432	1.1
129.06987	9.3
131.08562	3.7
133.10144	7.6
135.11693	2.1
137.09590	1.0
143.08560	5.5
145.06499	1.7
145.10162	7.0
147.08023	2.6
147.11697	17.2
149.09601	2.2
151.07552	8.0
157.10147	1.5
159.11749	2.5
161.09546	2.1
161.13242	6.6
163.03833	1.5
163.11198	1.5
165.09177	2.2
171.11720	14.4
177.09093	1.5
179.14272	1.0
180.05388	1.0
185.13237	1.0
189.12758	6.9
191.10632	4.1
193.12268	1.4
201.12903	1.1
205.12187	2.1
207.13800	19.2
211.11273	1.1
259.09744	1.4
265.05399	1.3
267.08942	1.1
270.01611	1.1
275.20041	2.4
281.17490	100.0
349.23727	4.3
443.28134	2.3
461.14679	1.2
461.28952	8.2
470.66501	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
55.01867	1.4
55.05512	7.7
57.03439	3.4
61.02924	1.9
67.05509	17.8
69.03418	2.4
69.07061	4.9
69.39556	9.7
79.05495	28.2
81.03418	5.7
81.07059	18.8
83.04986	9.8
83.08629	3.7
85.02904	1.6
91.05491	18.6
93.07050	22.2
95.04981	6.8
95.08607	10.4
95.46643	1.2
96.99368	1.1
97.02929	2.0
97.06515	3.4
97.10151	1.9
101.02428	1.4
105.07030	15.6
107.04968	3.1
107.08604	6.1
109.06492	2.9
109.10184	2.3
111.08114	1.4
117.07000	3.3
119.08579	13.9
121.06540	2.1
121.10176	3.1
123.08096	1.9
125.66933	1.2
129.07001	5.5
131.08580	2.6
133.10161	4.3
143.08580	3.6
145.10199	6.0
147.11671	10.4
149.09637	1.3
151.07465	1.3
161.13283	4.0
171.11703	9.0
185.84804	1.4
189.12683	3.5
191.97177	1.5
207.13802	6.1
222.49828	1.3
226.06282	1.3
247.55870	1.4
281.17471	100.0
297.06531	1.3
299.09305	1.6
355.75464	1.3
372.66034	1.3
461.28415	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	461.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07886	1.3
53.03948	12.9
53.88210	1.3
55.01870	10.7
55.05512	21.5
57.03443	10.7
57.07063	6.9
59.05003	2.0
61.02913	6.8
65.95332	1.4
66.56252	1.5
67.05495	9.5
68.99780	5.3
69.03429	60.9
69.07066	48.3
70.06570	4.0
70.56522	1.6
71.04988	12.5
71.55929	1.6
71.56334	1.9
73.02915	8.8
73.61546	1.5
79.05479	5.2
81.03419	55.1
81.07056	31.2
83.04974	15.4
83.08602	7.1
84.08199	1.4
85.02905	100.0
85.06540	15.0
86.09707	3.6
87.00831	36.0
87.04434	3.3
91.03955	3.2
91.05458	5.1
93.07040	14.9
95.04981	2.6
95.08611	42.5
97.02897	35.3
97.06540	10.1
97.10170	15.2
98.97517	2.0
99.04455	21.8
99.08095	34.6
100.55167	1.6
105.01861	23.9
105.07025	7.6
107.08593	29.6
109.02884	52.4
109.10171	16.8
111.08057	6.4
111.11748	9.0
113.09638	14.2
117.01884	4.9
119.04952	1.9
119.08543	5.5
121.06505	2.2
121.10135	38.6
123.11676	11.6
125.09608	9.8
127.03918	83.8
127.11215	2.0
129.01874	7.5
131.08505	2.4
133.10089	4.5
134.09601	2.3
135.04427	2.4
135.11707	17.5
137.05942	2.5
137.13280	16.4
139.11172	8.0
145.04961	28.2
145.10100	3.8
147.02875	5.2
147.04427	1.9
147.11714	2.7
149.13222	4.3
151.07573	2.2
151.14807	5.4
153.12753	20.7
159.02892	25.3
161.13242	2.8
163.11253	2.2
165.06999	1.9
167.07130	1.9
171.02968	1.9
173.13272	1.9
175.14870	1.8
177.03961	2.4
177.05432	3.9
177.16388	78.8
189.03940	3.6
189.05484	3.9
195.17451	84.3
196.05199	2.9
200.10797	1.6
201.16313	2.1
207.04474	1.9
210.08289	1.8
211.07521	4.6
213.03957	4.8
213.18495	71.2
231.04974	18.8
239.07059	3.1
299.09103	24.0
299.18472	1.6
329.10223	2.8
443.13205	4.7
461.23947	31.3
461.30923	32.1
472.35025	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60524	1.3
51.77911	1.3
53.03946	13.3
55.01874	15.4
55.05510	23.2
56.96585	1.9
57.03439	11.1
57.07086	4.7
59.05001	4.6
61.02924	10.3
65.03928	1.9
67.05509	11.6
68.99808	5.6
69.03431	71.8
69.07069	52.4
71.04996	13.4
71.05612	1.2
71.08624	1.9
71.55769	2.3
73.02918	13.1
79.05496	7.2
80.02922	1.4
81.03421	64.6
81.07064	28.3
82.09511	1.3
83.01350	1.6
83.04987	14.2
83.08612	9.4
85.02908	99.9
85.06548	20.7
86.09728	1.6
87.00835	43.8
87.01360	2.6
87.04496	3.3
91.03996	4.0
91.05505	4.5
93.07042	13.3
95.04990	1.5
95.08611	42.6
97.02900	36.5
97.06544	7.9
97.10183	11.1
98.07463	1.4
98.97648	1.4
99.00864	1.4
99.04452	23.4
99.08094	35.3
101.02407	1.5
103.03989	1.5
105.01862	32.2
105.07043	6.5
107.04980	5.7
107.08603	29.7
109.02138	2.9
109.02886	60.9
109.10157	18.3
111.08095	4.4
111.11736	10.7
113.09650	12.9
115.03915	2.5
117.01888	4.4
117.69389	1.2
119.08639	2.1
121.02906	1.8
121.10157	31.1
123.11707	11.4
125.09628	10.7
127.03922	100.0
127.11253	1.5
129.01880	7.6
131.08633	2.0
133.10127	3.9
135.11685	17.3
137.13258	18.5
139.11192	8.1
145.04968	34.0
145.10179	1.6
147.02960	5.6
147.11726	2.8
149.13284	4.1
149.69955	1.4
151.03906	1.7
151.14813	4.2
153.12770	19.5
157.12265	1.7
159.02893	36.9
159.04117	2.3
159.08188	1.3
161.13249	2.3
163.03961	1.5
175.14935	1.5
177.04129	2.0
177.16396	78.5
179.03464	1.5
179.07280	1.5
189.03976	2.7
189.05574	4.5
193.05022	1.7
195.17451	84.0
207.17552	1.6
209.40051	1.5
213.03987	5.9
213.18503	79.8
219.17563	2.1
231.05008	28.1
237.18581	3.9
246.26979	1.3
249.06056	3.5
294.12524	1.6
299.09195	8.5
425.21646	3.3
461.18744	2.5
461.24036	22.7
462.24832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01865	2.0
55.05502	6.8
57.03433	1.2
62.68359	1.6
65.03941	2.6
67.05502	4.3
69.03429	7.7
69.07060	11.9
71.04976	2.2
79.05483	4.6
81.03403	3.1
81.07059	15.1
83.08629	6.6
85.02908	12.7
85.06559	2.2
87.00841	6.6
89.94526	1.1
91.05478	3.6
93.07056	13.7
95.04977	2.3
95.08607	24.2
97.02909	6.2
97.06508	1.6
97.10162	5.7
99.04466	2.0
99.08101	14.8
105.01871	8.9
105.07027	4.3
107.08600	30.6
109.02871	3.5
109.10152	6.3
111.08089	5.8
113.09632	1.4
119.08614	2.4
121.10153	52.4
123.11696	3.9
125.09640	5.7
127.03915	9.4
135.11691	10.1
137.13268	7.1
140.04706	1.7
145.04926	4.0
149.13257	4.0
159.03000	2.0
177.16393	100.0
181.04941	9.0
181.08601	1.8
184.91739	1.2
195.17464	24.9
213.18507	31.6
255.19556	1.3
263.09207	6.4
299.09262	6.0
375.98380	1.2
397.61215	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
55.05513	0.9
57.03435	7.8
59.05003	22.2
60.04535	0.6
61.02926	2.6
69.03432	19.8
69.24516	2.1
69.24943	2.8
70.06603	1.1
71.01357	0.9
71.04967	0.6
72.08146	2.3
73.02925	9.7
73.06557	100.0
73.12308	0.5
74.06088	1.2
76.36872	0.5
79.64192	0.6
81.03414	1.8
81.07049	0.7
84.08154	0.8
85.02910	21.2
86.09708	4.6
87.04470	10.6
91.03963	0.7
97.02895	21.1
98.97546	1.0
99.04454	1.1
103.03922	0.7
109.02875	2.0
115.03928	19.0
117.09135	4.6
123.02911	0.5
127.03923	4.2
131.10684	12.5
133.04967	20.0
133.05994	1.1
135.04428	0.7
136.87262	0.6
145.04970	4.8
147.04370	0.9
149.11734	82.2
150.12134	0.5
159.98529	0.5
163.03900	1.9
163.06004	1.5
169.04878	0.6
179.06924	0.7
223.06090	0.6
241.07074	1.4
259.08142	2.2
286.38565	0.5
288.57739	0.6
295.10275	1.2
312.36942	0.6
460.18677	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	461.1634
Annotation	N-(2-phenylethyl)-Indomethacin amide
Peak:m/z	Relative Intensity
56.96548	0.3
57.03423	0.5
61.02884	0.4
67.05473	0.3
69.03410	0.8
70.06606	0.3
70.40421	0.6
70.40797	0.6
72.08156	1.6
73.02905	0.4
74.06047	0.4
81.03403	0.4
84.04479	0.6
84.96027	0.3
85.02893	1.2
86.09716	1.7
87.04449	0.4
91.05461	0.5
91.39915	0.3
93.59978	0.3
97.02878	0.7
98.97584	1.1
101.07098	0.4
104.04992	0.3
105.07086	0.3
109.02852	0.4
110.97558	0.4
119.04958	0.5
126.01074	0.4
132.04462	8.0
135.04425	0.3
137.05954	0.4
142.00504	0.7
145.02705	0.3
145.05067	0.4
147.04385	0.8
150.04472	0.4
150.05533	3.3
161.05910	0.3
163.03934	0.5
173.12878	0.3
177.00763	0.4
189.05501	0.5
201.12346	0.4
207.06583	0.4
219.01749	0.5
237.02719	0.3
259.80280	0.3
298.05219	0.4
298.24374	0.3
299.05515	0.6
317.08472	1.1
329.05957	0.3
329.12076	8.8
335.09433	0.8
461.16284	100.0
462.16580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3472
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
52.46350	2.0
53.03932	3.6
55.01874	3.9
55.05510	17.4
57.03443	11.6
57.07064	2.3
67.05505	22.3
67.22644	1.7
69.03416	7.6
69.07069	14.9
71.04977	5.3
71.08599	2.7
73.02900	2.0
77.03889	2.4
77.30535	2.0
79.05495	26.4
81.03424	17.8
81.07063	100.0
81.54887	2.0
83.01319	2.6
83.04973	8.2
83.08608	6.4
85.02892	7.6
85.06567	2.4
86.01018	1.9
90.82440	1.8
91.05486	16.4
93.06485	3.1
93.07046	41.3
95.04997	2.8
95.08612	75.6
97.02891	8.4
97.06504	4.4
97.10180	2.6
99.04436	4.0
99.07511	3.1
99.08105	49.6
101.02370	3.0
105.07037	34.8
107.04960	3.3
107.08601	39.9
109.02848	2.6
109.06512	5.3
109.10162	23.1
111.04436	4.6
111.11672	2.2
113.09636	5.0
117.07020	7.8
119.08587	41.8
121.06508	3.7
121.10152	27.9
123.08064	4.0
123.11704	9.6
125.05988	2.4
127.03934	5.6
129.07019	2.5
131.08572	14.3
133.10124	25.8
135.08057	5.8
135.11691	20.6
137.09593	2.8
143.08575	6.1
145.06560	2.0
145.10150	19.7
147.08011	4.1
147.11665	22.1
149.09599	3.8
149.13300	11.7
153.09053	2.9
153.12750	4.8
155.08553	4.7
157.10101	5.3
159.11699	15.3
161.09618	5.6
161.13255	15.5
163.11186	7.7
163.14812	9.1
165.09119	2.3
167.07022	2.1
167.10669	2.7
169.08708	2.7
171.11639	4.9
173.09601	3.6
173.13297	13.9
175.11232	2.6
175.14810	9.1
177.12805	2.6
177.16373	5.2
179.10721	2.2
181.12122	5.3
183.06616	2.4
183.10216	2.8
183.11743	3.3
185.13226	6.8
187.14854	14.9
189.12738	2.8
189.16391	13.6
191.10533	3.5
191.17990	2.6
193.12271	3.6
197.13289	4.8
199.14815	3.6
201.12732	2.4
201.16396	6.1
203.14291	3.6
203.17918	6.1
205.15903	2.7
207.13753	3.2
209.11749	5.3
213.16290	4.0
215.17995	3.3
219.13873	3.7
219.17499	3.1
221.15385	5.2
222.80843	2.3
227.12761	10.6
229.20035	2.3
233.15366	9.1
235.16960	2.7
239.11205	2.9
241.14362	5.0
247.16931	6.3
299.13602	2.2
311.23871	2.8
315.11920	3.8
329.24670	6.0
353.16159	3.3
383.29495	3.8
395.33054	2.3
399.32919	2.5
405.31375	7.2
413.33957	4.1
423.32599	19.9
441.33594	34.4
459.21948	17.7
459.35092	36.5
475.29901	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.5
55.05512	21.6
57.03444	5.1
67.05502	51.9
69.03428	5.3
69.07061	13.9
70.09920	18.1
71.04977	6.1
79.05503	41.2
81.03432	29.5
81.07063	49.4
83.04987	9.4
83.08598	14.1
85.02890	5.7
85.06534	12.7
91.05486	48.4
93.07050	56.1
95.04945	15.5
95.08611	100.0
97.06549	7.1
97.10183	9.9
103.05498	5.7
105.07036	66.2
107.04949	15.0
107.08598	52.1
109.06532	27.2
109.10159	36.2
111.08089	16.3
115.05430	6.3
117.07039	20.7
119.07805	6.4
119.08588	70.0
121.06481	11.0
121.10156	37.3
123.08067	14.2
123.11752	5.8
125.09602	7.5
128.06226	5.5
129.07004	18.5
131.08582	42.9
133.06462	5.6
133.10146	69.5
135.08028	9.7
135.11684	28.0
137.09608	9.1
141.07004	8.1
142.07800	4.9
143.08563	27.4
144.09245	4.9
145.06491	10.2
145.10126	84.2
147.08040	6.5
147.11687	30.2
149.09608	7.8
149.13261	14.0
151.11182	5.7
155.08556	10.0
157.10138	30.7
159.11687	72.5
161.09607	15.0
161.13271	20.8
163.11172	27.1
165.09091	5.3
165.12811	5.1
167.08583	5.5
169.10126	10.5
171.11652	21.9
173.13303	21.6
175.11197	17.4
177.12766	44.2
181.10101	7.7
183.11711	9.8
185.09633	6.4
185.13251	17.6
187.14828	8.9
189.11319	4.3
189.12811	13.8
191.14326	12.2
193.12212	14.6
195.11719	6.5
197.13269	9.1
199.14848	8.7
201.12732	5.0
203.14314	15.9
205.12245	5.0
207.11662	5.9
207.13734	5.2
209.13254	7.6
211.14850	5.4
213.16154	7.2
215.14354	10.7
217.15865	15.4
219.13776	17.8
221.15350	10.2
223.14735	6.6
232.11638	3.9
233.15285	6.2
235.16956	5.4
237.14813	9.7
243.13843	6.0
269.13574	12.3
273.14813	4.7
295.20459	6.0
297.22165	7.6
313.21640	11.8
315.23132	8.9
323.23627	9.3
339.23083	4.0
347.23691	9.6
349.21375	6.4
363.26740	4.9
365.24966	26.9
367.22687	18.9
383.25900	37.5
385.23602	12.8
401.27020	23.5
405.28027	10.3
423.28964	18.7
441.30234	20.6
459.27368	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.00359	0.6
55.01876	4.3
55.05515	15.3
56.49248	0.5
57.03443	3.2
65.03936	1.5
67.05505	20.5
67.97963	0.5
69.03433	3.1
69.07070	4.6
70.20248	0.8
70.20596	1.9
71.04996	2.2
79.05495	23.1
81.03419	58.9
81.07056	19.3
81.81751	0.6
83.04977	3.9
83.08623	14.9
85.06538	1.2
85.51860	0.5
90.00893	0.6
91.05486	21.5
93.07040	13.3
95.04965	18.6
95.08613	8.3
97.02892	2.2
97.06525	2.8
97.10166	9.4
99.04463	0.6
99.08115	0.6
101.94955	0.6
103.05478	1.3
105.07030	16.7
107.04958	8.5
107.08595	8.5
109.02915	0.9
109.06525	3.4
109.10176	4.8
111.04453	1.1
111.08080	5.9
115.05449	2.2
117.07018	7.9
119.04969	1.5
119.08582	12.0
120.90480	0.6
121.06521	7.5
121.10126	6.0
123.04436	1.3
123.08073	2.8
125.02370	0.8
125.09629	6.0
126.85212	0.6
128.06258	1.7
129.07014	11.0
131.04904	3.7
131.08565	11.7
133.06506	5.3
133.10133	5.0
135.04390	1.1
135.08031	3.2
135.11708	1.3
137.05940	1.3
137.09634	2.1
141.06979	2.7
142.07782	2.3
143.08540	4.4
144.05739	1.6
145.06496	16.6
145.10114	4.2
146.07016	0.6
147.04410	0.8
147.08061	5.4
147.11688	6.6
149.09616	3.8
153.07164	0.5
153.09093	1.6
154.07860	0.7
155.08574	3.4
157.06538	3.2
157.10121	8.6
158.10396	0.5
159.08081	3.0
159.11737	1.4
161.05991	3.0
161.09631	1.2
163.11266	1.5
165.06955	0.7
165.09216	1.2
165.12756	1.1
167.08559	2.0
169.06500	1.3
169.10149	2.1
171.08057	4.3
171.10318	0.8
171.11710	1.9
173.09662	2.1
173.13266	0.7
175.07585	1.0
175.11174	7.1
179.08601	1.4
181.10144	1.9
183.08086	1.8
183.11705	1.0
185.09648	2.5
185.13272	1.8
187.11240	1.6
187.14868	1.3
189.09525	0.6
189.11250	2.9
189.12816	1.4
193.12250	29.1
195.08040	1.4
195.11732	2.3
197.09682	1.1
197.13286	2.1
199.11240	1.9
199.14705	0.8
203.14214	0.7
205.12274	1.3
207.11772	1.0
209.13295	1.0
211.11154	1.6
211.14864	1.0
213.12755	2.0
215.14284	1.7
219.13918	0.7
221.13376	0.7
223.11223	1.2
225.12726	1.2
227.14308	2.5
231.13870	1.6
233.13307	0.8
233.15503	1.7
235.14949	0.8
237.12723	2.1
239.14301	1.8
247.13251	0.6
249.14877	4.0
251.14330	0.8
255.13765	4.2
257.15323	1.2
269.15604	0.6
271.17087	0.7
273.14838	10.9
275.16574	0.8
281.15436	0.7
283.17029	1.0
287.16504	2.0
299.16125	0.6
311.16376	0.7
321.22156	0.9
325.17953	0.8
331.20358	0.9
339.23068	2.7
349.21634	10.2
357.24261	4.1
367.22659	26.4
385.23724	22.8
385.28482	1.3
403.24753	4.9
405.24249	1.7
423.25226	1.4
441.26257	5.6
459.27414	100.0
460.27896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
55.01875	4.9
55.05511	16.8
57.03443	4.3
57.43073	0.7
65.03936	1.5
66.10638	0.6
67.05505	21.0
69.03430	3.9
69.07063	7.2
71.01345	0.7
71.04977	2.1
71.55744	0.7
79.05493	25.5
80.61177	0.6
81.03417	60.3
81.06592	1.3
81.07053	19.6
83.04983	5.0
83.08151	1.2
83.08619	15.3
83.66243	0.6
85.02891	1.2
85.06542	1.0
85.95308	0.7
91.05481	24.6
93.07040	13.7
95.04970	18.5
95.08604	10.9
97.02867	2.2
97.06540	3.1
97.10168	11.4
99.08090	0.9
103.05443	1.5
105.07027	17.3
106.01906	0.7
107.04958	10.8
107.08592	9.9
109.02858	1.1
109.06514	4.1
109.10137	5.0
111.04459	1.2
111.08077	7.1
113.00011	1.3
115.05469	2.5
117.07001	8.0
119.04946	1.7
119.08586	13.0
121.06497	7.8
121.10124	6.1
123.04426	2.3
123.08063	2.8
123.11694	0.9
125.09641	8.4
128.06224	1.8
129.07008	12.4
130.07709	1.0
131.04947	4.0
131.08559	12.3
133.06502	4.9
133.10155	5.5
135.04427	0.8
135.08080	3.8
135.11691	1.9
137.05966	1.0
137.09641	2.4
139.01379	0.7
141.06946	3.0
142.07791	2.6
143.08548	5.2
144.05711	1.0
145.06485	17.0
145.09094	0.7
145.10101	4.6
147.04446	1.4
147.08049	7.0
147.11671	6.8
149.09639	4.5
149.13264	0.7
151.07568	1.0
153.07010	1.1
153.09131	2.7
155.08577	3.9
157.06511	3.9
157.10130	8.1
159.08064	5.3
159.11723	2.1
161.05972	3.2
161.09608	2.7
163.11156	1.4
165.06990	0.7
165.09096	1.3
165.12801	1.4
167.08559	0.9
168.09390	0.8
169.06523	1.4
169.10074	3.2
171.08095	3.4
171.11693	2.7
172.55241	0.6
173.09641	2.9
173.13235	1.0
175.07549	0.9
175.11166	6.6
177.12769	1.1
179.03462	1.2
181.06540	0.7
181.10211	1.7
183.08037	1.4
183.11661	2.5
185.09633	2.2
185.13243	2.8
187.11185	1.7
189.09418	0.8
189.11217	2.9
189.12691	1.4
193.10458	1.0
193.12242	30.3
195.11691	3.9
197.09599	2.2
197.13275	1.9
199.11150	2.7
199.14766	0.8
201.12805	1.2
203.14410	1.1
205.12170	1.6
207.11899	0.7
209.13354	1.4
211.11198	2.0
213.12794	2.3
215.14346	2.5
217.12457	0.6
217.56631	0.6
223.11217	1.6
223.14938	1.1
225.12798	1.7
227.14302	2.1
227.98050	0.6
231.13837	1.5
233.15408	2.3
237.12729	2.2
239.14313	0.9
241.16010	0.7
247.13354	1.0
249.14784	4.5
253.15717	0.7
255.13791	4.8
257.15353	1.3
259.13171	0.8
269.15396	1.1
273.14890	11.5
281.15323	1.0
283.17068	0.9
287.16446	1.5
299.16348	1.0
311.16458	1.1
321.21902	0.8
339.23218	4.6
342.84302	0.7
347.22186	1.6
349.21616	10.9
357.24454	3.5
367.19153	0.6
367.22659	26.8
385.23727	27.2
403.24866	5.6
405.24182	2.4
423.25000	1.0
441.26321	5.2
459.27417	100.0
460.27698	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
55.05506	2.7
57.03435	1.1
61.02911	0.6
67.05502	3.6
68.99753	0.6
69.03423	4.5
69.07065	2.8
70.94465	1.0
71.04974	1.2
73.02901	0.9
75.37865	0.5
78.63279	0.5
79.05488	1.1
81.03424	3.1
81.07057	4.8
83.04971	1.7
83.08604	2.0
85.02898	8.3
85.06534	1.0
87.00831	4.2
89.64752	0.4
91.05450	0.8
93.07054	2.5
95.04973	0.7
95.07995	0.5
95.08604	8.4
96.00339	0.4
96.72513	0.6
97.02888	2.4
97.06510	1.3
97.10152	1.0
99.04432	1.8
99.08083	0.7
103.10170	0.5
105.01875	2.7
105.07018	2.1
107.08600	5.3
109.02867	2.3
109.06516	2.6
109.10157	16.9
111.08089	8.1
119.08586	10.1
121.10139	5.9
123.08074	7.6
123.11713	3.1
125.09608	0.8
127.03910	4.6
133.10133	9.9
135.11700	11.8
137.08553	0.9
137.09612	19.0
137.13272	1.0
138.10410	2.5
139.11180	1.1
145.04935	1.3
147.11711	0.8
149.13283	3.2
149.35320	0.5
151.11206	1.1
151.14819	2.0
159.02902	0.6
165.12747	2.8
165.16379	1.4
175.14828	17.6
193.15881	18.7
211.16925	100.0
212.17345	0.9
231.05103	0.8
265.10895	0.5
299.08777	0.5
304.55734	0.6
359.52481	0.5
445.77789	0.5
451.37946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.01857	2.1
55.05504	6.8
57.03429	1.2
57.07065	1.4
59.04980	2.5
65.03961	0.7
67.05502	14.3
69.03427	9.3
69.07067	10.6
69.56673	1.8
69.57088	3.1
70.06579	0.8
71.04973	3.1
72.08146	0.7
78.64363	0.7
79.05481	3.8
81.03425	4.5
81.07053	15.9
83.04971	7.9
83.08613	5.1
85.02902	10.1
85.06530	1.8
86.09693	1.1
87.00823	3.9
87.08080	0.9
91.05452	2.6
92.31406	0.8
93.07041	7.8
95.04958	1.6
95.08604	29.3
97.02892	3.8
97.06510	1.6
97.10179	1.6
99.04423	1.9
99.08064	3.0
105.01875	2.0
105.03357	1.0
105.07029	6.6
107.08585	20.0
109.02855	3.4
109.06517	9.0
109.10155	91.6
111.08085	3.6
113.09604	1.8
116.70129	0.8
119.08582	37.1
121.10138	12.5
123.08068	10.2
123.11696	7.0
125.09583	1.5
127.03909	5.2
133.10130	18.9
135.11691	100.0
136.12091	0.9
137.09612	14.1
139.11182	2.0
145.04950	1.1
147.11674	1.4
149.13248	6.4
151.11177	6.7
151.14806	9.8
153.12724	3.0
159.02898	1.0
159.11644	1.0
163.03902	0.8
165.16379	3.0
174.11507	0.7
175.14830	44.6
186.66853	0.7
193.15880	67.7
211.16925	78.4
252.89177	0.8
313.99652	0.8
459.22134	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	457.3677
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.66928	1.7
55.05507	6.2
55.23372	1.6
57.03444	12.8
57.07070	1.7
61.02914	2.7
62.44466	1.8
62.86599	1.7
67.05517	12.2
68.74342	1.4
69.07072	10.4
69.59103	8.7
77.86342	1.7
79.05505	8.2
81.07057	25.9
83.08625	7.1
91.05489	6.4
93.07050	18.2
95.08612	57.2
97.06558	1.6
97.10194	4.8
105.07043	10.8
106.39904	1.5
107.08593	37.2
109.10162	27.0
112.99993	1.6
117.05502	32.9
119.08591	19.2
121.10139	30.2
123.11732	7.7
129.59314	1.7
131.08559	3.2
133.10133	19.9
135.11711	18.2
137.13257	3.1
145.10126	3.9
147.11703	10.2
149.13255	13.2
151.14900	2.3
159.11638	5.2
161.13315	10.9
163.11180	1.9
163.14838	28.7
173.13255	2.4
175.14845	8.0
177.16425	8.1
179.14305	4.5
187.14862	5.7
189.16397	17.0
191.17973	15.9
201.16425	3.2
203.17979	23.1
205.19473	7.5
207.17474	4.7
217.19507	5.4
218.73755	1.6
221.19017	4.3
229.19478	2.2
231.21214	8.2
233.19025	1.9
297.25708	6.5
315.26819	3.4
393.35123	9.5
411.36252	100.0
439.35764	10.2
457.36075	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.5
56.96561	0.5
57.03438	0.8
61.02929	0.5
62.07961	0.4
67.05502	0.6
69.03424	2.0
70.06596	2.0
71.04984	0.6
71.55038	0.5
72.08142	1.2
72.90280	0.4
73.02922	0.6
74.06065	0.8
79.05488	1.1
81.03416	1.3
83.01394	0.4
84.08128	0.5
85.02910	3.6
86.09703	1.3
91.05466	1.0
93.07042	0.5
95.04965	0.4
97.02889	1.2
98.97588	2.6
102.05527	0.6
107.08603	0.8
109.02891	0.6
109.05168	0.4
109.06536	0.5
115.03941	0.4
116.46056	0.4
116.98619	0.6
117.03392	1.1
117.07039	0.5
120.06562	1.0
128.98634	0.5
134.03670	0.6
134.04623	7.8
135.02992	0.5
135.08041	1.1
137.09596	0.5
140.02716	0.6
145.02856	2.3
145.04953	0.6
147.04410	0.7
149.99971	0.6
152.05684	2.0
153.09111	0.5
158.99649	0.8
160.02560	0.6
163.03886	1.7
163.07547	1.4
165.02301	8.3
167.02623	0.7
173.01163	0.5
177.05501	4.1
178.03564	0.4
181.08638	1.5
182.04968	75.8
193.00577	0.6
197.11824	0.5
208.02887	100.0
209.03133	0.5
219.01875	0.5
223.06448	0.4
265.06451	0.7
280.07004	1.1
309.07602	0.4
314.09296	1.1
327.08701	57.6
327.29700	0.4
340.07153	1.1
358.07974	0.5
383.08878	0.4
388.58575	0.4
427.12646	0.6
459.12399	0.6
459.18231	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	457.3675
Annotation	Cladocalol
Peak:m/z	Relative Intensity
51.51678	1.8
51.73391	1.8
53.03952	3.8
55.01867	2.3
55.05514	11.9
57.03441	3.5
57.40752	1.9
63.01872	1.8
65.03942	2.1
67.05509	18.2
67.81784	1.8
69.03424	6.6
69.07066	15.4
71.04994	3.3
71.54829	1.9
79.05489	20.0
81.03422	8.8
81.07062	34.8
83.04989	5.5
83.08611	7.9
85.02888	2.4
85.06486	2.4
91.05480	14.3
93.07048	26.7
94.49081	2.0
95.04970	5.4
95.08608	52.6
97.06555	3.1
97.10170	5.4
105.07025	22.9
107.04954	8.7
107.08595	44.1
109.06478	2.2
109.10156	34.2
111.04475	4.1
111.08112	3.5
113.00034	3.7
117.07017	5.4
119.08592	28.3
121.06551	2.1
121.10148	35.1
123.11696	10.3
125.05888	2.1
125.09624	4.6
126.08974	1.9
129.05450	4.7
131.08545	7.2
133.10135	29.0
135.08081	3.3
135.11693	22.9
135.46457	1.9
145.10109	8.9
147.11708	18.5
149.09624	6.6
149.13255	19.7
157.10135	2.6
159.11717	5.5
161.09645	2.0
161.13280	15.5
163.11108	4.0
163.14830	33.7
173.13284	6.0
175.11241	2.2
175.14856	11.2
177.16414	16.5
187.14809	7.3
189.11208	3.7
189.16396	32.8
191.17964	28.4
201.16394	6.0
203.17982	37.7
205.19548	10.0
207.17503	4.6
215.18024	2.7
217.19571	10.3
219.17485	3.4
221.19020	5.2
229.19403	4.6
231.21178	11.3
235.16957	5.0
245.22661	2.8
247.16988	2.6
247.24352	2.0
249.18532	4.6
275.20056	18.8
299.14685	1.9
326.16376	2.4
365.21521	2.6
393.35226	10.4
411.36252	100.0
439.35849	27.4
457.25620	13.5
457.36728	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	457.2049
Annotation	Tyr Gln Phe
Peak:m/z	Relative Intensity
53.03932	0.4
55.01866	0.5
60.58096	0.2
61.45809	0.2
67.05490	0.3
69.03435	1.4
69.07053	0.4
71.55563	0.4
73.02886	0.3
79.05489	0.6
81.03433	1.1
81.07045	0.8
83.05005	0.3
85.02915	1.2
87.00810	0.5
91.05476	1.4
93.07051	1.4
95.04945	0.4
95.08587	1.0
97.02908	1.0
97.06529	1.2
98.97571	0.9
103.05461	1.0
105.01894	0.3
105.07032	1.1
107.04955	0.3
107.08604	1.1
109.02861	0.9
109.06528	0.5
109.10133	0.4
119.08535	0.4
121.06520	1.7
121.10137	0.8
123.08066	0.3
123.11687	0.4
127.03888	0.9
131.04932	0.4
131.08606	0.5
133.06491	0.3
133.10115	0.7
135.08041	0.9
135.11697	0.5
137.05984	0.3
145.04878	0.3
145.10103	0.6
147.11726	0.4
149.05994	1.7
149.09657	0.3
149.13231	0.3
151.07413	0.3
158.99626	0.2
161.02341	0.3
163.03896	0.7
163.07507	0.3
163.14827	0.3
165.09096	0.5
167.07039	1.1
173.13287	1.6
177.05499	0.5
181.08597	1.9
185.04091	0.2
191.14307	5.1
193.08633	0.8
207.06512	0.3
209.08090	2.4
209.15286	2.0
215.07071	0.4
219.01665	0.2
259.09830	0.5
290.48270	0.2
295.15179	2.2
340.44989	0.3
457.20444	100.0
458.20670	1.0
463.18558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01877	23.8
55.05513	24.7
56.16576	1.6
56.40528	1.4
57.03428	8.7
61.02935	3.5
65.03924	3.8
67.05505	33.6
69.03091	2.8
69.03430	36.5
69.07067	21.5
71.04979	7.6
71.53732	3.4
73.02934	3.6
79.05077	2.7
79.05499	37.2
81.03416	15.3
81.07060	37.6
81.75797	1.7
83.04507	1.9
83.04980	29.2
83.08611	10.6
85.02920	9.8
87.04472	4.0
91.05482	34.4
93.07048	32.8
95.04961	7.8
95.08611	30.8
97.02930	1.6
97.06539	26.0
97.10165	7.6
99.04441	6.0
101.06040	1.8
103.03917	1.9
103.05415	1.9
105.07037	44.7
107.04957	24.8
107.08591	38.6
109.06510	6.3
109.10174	13.7
111.04440	25.8
111.08081	3.3
117.07007	11.7
119.08595	29.3
121.06506	6.2
121.10147	14.1
123.08061	5.4
123.11715	4.5
125.09635	8.2
129.05481	26.5
129.07007	5.3
131.08557	22.1
133.10126	30.1
135.08080	4.9
135.11751	8.6
137.09604	3.9
142.07770	2.7
143.08591	7.9
145.10143	18.9
147.06497	3.1
147.08034	2.1
147.11688	20.6
148.11977	2.2
149.09627	28.3
149.13232	6.5
151.11162	2.9
153.09013	1.7
155.08528	3.3
157.10133	5.9
159.11714	13.9
161.13275	6.6
163.11192	10.9
165.07620	3.9
165.09100	1.7
165.12694	2.1
169.10146	4.6
171.11656	5.1
173.11873	2.7
173.13260	9.8
175.11212	2.2
175.14799	2.3
177.12798	3.9
177.61813	1.6
179.14334	6.1
183.11661	5.2
185.13179	3.1
187.11244	3.0
187.14786	4.4
189.11177	6.5
189.16232	1.7
191.17963	1.9
197.13336	3.8
199.14827	2.2
201.12712	1.8
203.17964	2.9
215.17946	2.3
229.19434	2.9
239.17886	5.0
247.20563	3.6
257.19000	13.0
269.13455	4.0
275.20059	100.0
293.21100	4.1
299.14877	4.8
383.22217	3.2
421.25949	14.1
439.26532	4.8
457.25528	18.4
457.35843	2.2
483.57809	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
53.82283	0.7
55.01863	2.8
55.05505	2.7
56.96554	1.3
57.03429	2.4
57.07088	1.4
59.05008	1.1
65.03945	1.3
65.75109	0.9
67.05493	3.2
69.03426	11.8
69.07058	3.0
69.40573	7.0
70.06590	1.3
71.04980	1.8
72.08128	1.1
73.02897	1.9
79.05481	3.8
81.03417	11.1
81.07058	7.1
83.04962	3.2
83.08645	1.0
84.08157	1.1
85.02905	19.4
86.09703	4.4
87.00829	5.6
87.04459	1.5
91.03933	1.0
91.05470	4.6
93.07043	6.0
95.04958	3.8
95.08580	6.6
97.02885	7.6
97.06545	2.1
98.97590	1.9
99.04437	3.9
99.08073	1.3
105.01852	3.6
105.07032	10.1
107.04946	1.3
107.08593	10.8
109.02879	7.8
109.06496	5.3
109.10159	5.3
111.08104	1.1
116.07046	0.8
117.01842	1.9
117.06999	1.2
118.05379	1.1
119.08570	5.8
121.10146	14.0
122.07279	1.7
123.08058	3.4
123.11695	3.6
125.09628	0.9
127.03925	12.1
129.06902	1.1
131.08543	5.6
133.02783	0.9
133.09131	1.2
133.10139	22.4
135.08047	3.7
135.11688	2.8
137.09616	21.7
137.13225	0.9
143.00146	0.9
143.08505	1.2
145.02768	1.0
145.04936	4.2
145.10124	3.4
147.04411	0.9
147.08095	1.3
147.11676	4.7
149.06120	0.9
149.09619	11.3
149.13272	7.3
151.11185	19.7
157.10156	1.3
158.10881	1.3
159.02892	3.4
159.11670	1.8
161.09605	2.2
161.13289	1.3
163.03967	2.7
163.07510	1.1
163.14876	1.7
165.09148	1.2
165.12750	29.1
171.11771	0.9
173.13269	10.8
177.05505	1.7
181.05026	1.1
185.16330	0.8
187.14845	1.3
189.05421	1.1
189.16438	0.9
191.12674	1.6
191.14307	19.5
191.18005	1.1
193.15855	2.5
201.16333	1.3
209.15359	100.0
210.15657	0.9
227.17815	1.0
231.05006	2.3
232.84515	0.9
239.47697	0.9
240.70862	1.0
439.35895	0.8
457.17239	3.5
457.24149	19.6
457.36993	2.2
458.66730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10973	0.7
53.03930	1.4
53.36964	0.6
55.05515	1.5
55.22741	0.6
55.59659	0.6
59.56703	0.8
66.50137	0.8
67.05502	2.5
69.03442	5.7
69.07058	2.3
70.30404	2.6
76.74233	0.9
79.05502	5.5
81.03406	2.3
81.07065	6.5
83.04997	1.7
84.44509	0.7
85.02898	3.0
87.00829	1.1
91.05477	4.1
93.07045	3.2
95.04996	0.7
95.08607	3.3
97.02890	1.5
105.01888	1.6
105.07047	7.1
107.04967	2.5
107.08604	15.9
109.02919	1.4
109.06523	2.2
109.10144	7.1
115.05432	1.1
117.07031	1.3
117.78896	0.7
119.08582	4.6
121.06522	0.7
121.10159	10.0
122.07298	3.7
123.08089	1.4
123.11800	0.9
127.03925	2.2
131.08575	3.1
133.10141	100.0
134.10497	1.0
135.08073	6.5
135.11717	1.5
137.09627	47.1
137.13258	0.8
145.10162	1.7
147.11671	2.8
149.08466	0.8
149.09608	1.6
149.13293	9.1
151.11214	2.6
158.10985	1.3
163.14854	2.0
173.13295	6.0
191.14328	49.0
192.18326	0.7
209.15392	10.3
227.32962	0.8
236.17226	0.7
264.35248	0.7
322.61441	0.7
435.22263	0.7
457.24036	2.3
457.35669	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2047
Annotation	Tyr Gln Phe
Peak:m/z	Relative Intensity
50.17607	0.3
55.05507	0.5
56.96564	0.6
57.03442	0.4
61.29576	0.3
67.05497	0.5
69.03439	0.9
69.07053	0.5
70.51766	0.5
70.52100	0.6
79.05488	1.0
81.03418	0.7
81.07058	0.6
81.53985	0.3
85.02901	1.1
89.87487	0.3
91.05489	0.8
93.07079	0.8
95.08610	1.0
97.02909	1.2
97.06554	0.6
98.97607	0.7
105.07038	0.9
107.08613	1.5
109.10152	0.6
111.04577	0.3
117.06998	0.5
119.08578	1.0
121.06509	0.7
121.10162	0.6
127.03937	0.9
131.08600	0.4
133.06459	0.4
133.10132	0.6
135.08055	0.9
135.11670	0.5
145.04947	0.3
145.10146	0.9
147.11693	0.4
161.09763	0.5
163.07649	0.8
173.09598	0.3
173.13297	1.2
185.04152	0.3
191.14355	3.4
191.18065	0.6
206.87146	0.4
209.15422	1.5
215.10713	0.4
246.66281	0.3
261.57272	0.5
263.58823	0.3
295.15219	2.4
295.62192	0.3
385.12833	0.3
439.22385	0.5
457.20471	100.0
458.20779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2045
Annotation	Tyr Gln Phe
Peak:m/z	Relative Intensity
53.03937	0.5
53.11795	0.3
55.05524	0.7
56.96555	1.5
57.03426	0.4
67.05466	0.5
69.03412	0.7
69.07060	1.0
70.14558	1.0
72.08160	0.4
79.05483	1.0
81.03420	1.0
81.07050	1.1
83.08609	0.5
84.96057	0.4
85.02911	0.7
86.09709	0.9
91.05499	2.2
93.07035	1.1
94.02656	0.3
94.62760	0.3
95.08575	0.7
97.02865	0.5
98.96997	0.3
98.97557	1.9
100.11257	0.8
103.05492	0.4
105.07012	1.5
107.08664	0.7
109.02856	0.4
109.10155	0.7
112.99145	0.5
119.04945	0.5
119.08559	1.4
120.08928	0.5
121.06497	0.8
121.10117	0.6
127.03828	0.5
131.00153	1.3
133.06523	0.4
133.10109	1.1
135.04434	1.0
137.09587	0.5
143.08502	0.4
145.10110	1.0
147.11671	0.8
149.01247	1.0
149.05995	1.1
157.10072	0.4
158.99719	0.4
159.11687	0.6
161.01283	0.3
163.03925	0.9
166.89928	0.3
167.07066	0.5
173.09647	0.6
173.13342	0.5
177.00729	0.6
177.05510	1.4
182.15485	0.5
187.11185	0.9
191.14282	0.8
191.18007	0.4
192.18320	0.4
195.06575	0.6
203.05247	0.6
206.36714	0.5
210.14967	0.7
215.10716	0.7
235.16997	0.4
237.00777	0.5
248.08005	0.4
254.08199	0.4
259.07645	0.6
261.07132	0.6
263.08719	0.7
270.07571	0.8
281.10663	0.4
295.15244	1.3
342.09738	1.5
351.10144	0.8
353.75989	0.4
423.14261	0.4
439.30472	0.4
457.20416	100.0
458.20712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65134	1.6
55.05518	3.5
56.96572	3.5
57.03429	7.0
61.02924	5.6
63.94827	1.6
67.05501	5.2
69.03435	21.8
69.07075	3.2
70.06570	3.2
71.04997	2.3
71.54058	2.3
73.02911	3.8
79.05474	2.2
81.03413	6.0
81.07028	2.7
84.08138	2.4
85.02901	25.4
85.06527	3.3
86.09693	5.6
87.04458	8.6
91.03938	2.2
91.05489	6.2
93.07050	4.6
95.04977	2.1
95.08601	5.8
97.02896	15.7
97.06525	3.4
98.97572	7.5
99.04449	3.8
99.08110	13.7
100.11259	4.1
101.11604	2.7
105.07035	2.8
107.08636	5.6
109.02850	2.8
109.10172	4.5
111.04449	2.7
115.03963	12.7
116.07096	2.2
116.98615	3.9
117.05733	4.4
119.08560	2.3
119.97754	1.7
121.10131	3.3
127.03883	4.8
129.07008	3.4
130.06563	7.5
131.08569	2.6
132.08096	3.2
133.04968	11.2
133.10129	3.4
135.11636	3.2
141.06982	2.9
143.07338	11.8
144.08096	72.3
145.04900	2.9
145.12230	4.2
146.05984	2.0
147.04385	2.6
152.05681	2.3
156.08101	11.3
157.08842	2.9
158.09659	64.4
158.99666	2.4
160.07626	3.3
161.05949	2.3
162.09138	27.1
163.03943	2.5
167.07310	3.1
168.08125	10.0
170.09631	2.1
174.09138	10.1
177.00725	3.0
182.09691	2.7
184.07578	10.4
186.09152	65.9
187.07529	4.1
193.15919	6.3
200.04739	2.3
203.02039	1.9
204.10220	100.0
204.54507	2.2
207.13904	2.5
208.14087	2.3
210.09171	3.7
212.10696	2.7
215.07024	13.1
224.10718	2.3
228.10193	4.5
228.13391	2.6
240.10115	4.2
246.11125	2.8
249.02785	2.8
258.11313	4.8
260.59360	2.0
261.09814	2.7
263.06195	2.2
270.11218	5.9
274.46530	2.0
276.12201	19.9
276.55008	1.8
288.12338	9.2
291.04010	2.8
294.13400	23.2
306.13379	17.0
307.17981	1.8
309.04898	3.0
315.17929	2.0
324.14456	3.2
336.14297	2.6
351.06836	2.4
401.84488	1.8
420.16498	3.0
438.17731	2.7
448.86362	2.1
456.22919	26.4
456.34970	6.1
457.23535	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1476
Annotation	HZ52
Peak:m/z	Relative Intensity
51.68549	0.3
55.01867	0.3
55.05479	0.7
56.96543	0.4
57.03428	1.5
67.05505	5.0
69.03431	6.4
69.07058	0.9
69.27156	3.0
70.06587	1.2
71.04994	0.6
72.08178	0.5
73.02907	0.9
81.03387	0.4
81.07048	1.8
83.04965	0.4
83.08626	1.1
85.02901	5.3
86.09688	0.6
87.04488	2.2
91.05485	1.0
93.07066	0.4
95.08606	0.4
97.02894	4.1
98.97575	1.5
99.04489	0.3
105.07047	0.5
107.08589	0.6
109.02870	0.4
109.10160	14.6
111.04442	0.4
115.03925	4.5
119.04939	0.7
121.10245	0.4
125.09659	1.7
127.03921	1.1
127.10272	0.7
127.11182	6.0
133.04976	5.0
145.04938	1.4
147.04434	1.8
162.05313	0.4
163.06053	0.5
177.05492	0.4
179.06992	0.5
219.01886	0.6
223.13263	1.1
235.83252	0.3
237.02931	0.4
240.07440	0.3
258.08264	0.4
259.15430	0.8
289.16287	0.8
295.10303	0.5
317.08505	0.9
324.10492	2.7
342.10382	1.3
358.07983	0.6
358.12027	0.4
456.14792	100.0
457.15286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21688	2.1
54.04452	2.1
54.04740	1.9
56.05017	3.1
56.96560	3.6
63.43289	2.3
65.03964	2.3
67.05512	3.8
69.03423	4.1
70.06580	2.8
70.58429	7.1
72.04518	25.6
72.41801	2.3
73.30506	2.2
74.06084	4.3
79.05483	2.8
79.15819	2.3
81.03429	3.0
81.07088	2.7
83.04981	2.5
86.09718	3.1
86.15478	2.4
91.05478	4.4
95.05028	2.8
97.02898	2.5
97.06548	3.6
98.97568	2.2
100.03983	15.2
103.05502	2.2
105.07117	2.3
111.08105	2.4
119.08599	3.2
131.04936	6.8
159.04372	11.0
165.07062	3.0
171.06784	2.8
174.05511	4.1
177.05539	4.9
178.07768	2.8
180.07362	2.4
188.07094	25.1
189.05484	34.9
189.07034	5.5
190.07802	2.7
191.08623	8.1
200.07092	5.3
201.06973	3.4
202.07744	13.2
203.08566	11.9
204.09416	2.4
205.04865	4.8
205.06570	4.6
206.08205	3.2
218.08025	8.4
219.08449	7.5
229.06435	12.3
230.07428	8.8
230.09615	2.8
231.08168	4.1
232.09702	80.9
233.06023	3.4
234.07530	2.7
244.11224	3.8
246.06970	5.3
246.09352	3.5
247.07574	13.7
250.10797	37.1
252.09360	15.8
256.07574	2.9
257.05923	15.2
258.06793	3.1
261.09235	7.1
272.10623	4.7
274.06265	3.7
275.06989	15.8
285.05453	4.5
289.08575	56.7
289.11502	3.4
290.09412	20.9
290.12018	7.0
293.08234	3.3
300.10349	4.4
302.11826	3.4
307.09805	3.7
317.08075	38.6
318.11362	21.4
321.11417	6.4
334.08405	5.2
335.09308	8.5
346.10770	21.0
349.10724	100.0
350.14053	6.2
360.12305	3.3
364.11661	3.6
374.10294	31.6
378.13321	21.3
392.15253	4.7
395.11343	4.5
406.12793	13.6
410.15994	16.2
420.14490	5.2
424.14120	5.4
428.17151	6.2
438.15433	3.2
456.16693	96.4
456.23029	21.4
457.24240	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	455.3521
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
53.03935	1.9
55.01866	2.8
55.05510	13.3
57.07074	4.0
65.03922	1.8
67.05502	36.3
69.07068	23.2
70.10691	4.3
71.04974	3.9
79.05492	25.1
81.06590	3.1
81.07056	57.7
81.07533	3.3
83.04999	2.0
83.08614	9.5
85.02900	2.4
85.06536	2.8
91.05481	26.3
93.07043	53.0
95.04960	4.5
95.08606	83.2
97.06548	3.8
97.10165	4.8
99.04488	2.4
99.08121	1.8
103.05502	1.5
105.07033	53.0
107.08594	69.1
109.06506	7.2
109.10155	51.4
111.08094	5.9
111.11719	1.7
113.09641	2.5
117.07014	10.0
119.08582	54.0
121.06517	3.1
121.10136	40.9
123.08078	14.5
123.11703	18.8
125.09670	3.3
128.06201	1.8
129.07033	5.3
130.07753	2.7
131.08566	31.1
133.06548	2.1
133.10129	45.0
133.11105	3.0
135.08066	4.8
135.11694	24.1
137.09624	3.5
137.13271	3.9
140.19176	1.4
140.76033	1.5
142.07834	2.0
143.08569	13.4
145.10120	49.2
147.08035	4.2
147.11685	35.9
149.09653	5.5
149.13264	19.3
151.11194	2.2
151.14804	1.9
153.09132	4.6
155.08563	3.2
156.09332	3.7
157.10110	19.9
159.11694	39.2
160.12219	1.4
161.09665	5.9
161.13252	25.8
163.11227	5.9
163.14793	8.8
165.12753	1.6
167.07071	3.1
167.10689	5.5
169.08627	13.4
169.10117	3.4
170.10994	2.3
171.11717	12.3
173.09645	1.6
173.13248	22.2
175.11188	4.2
175.14827	18.3
177.09203	1.8
177.12788	4.9
177.16405	6.3
179.10652	2.8
179.14362	1.7
181.10405	1.5
181.12177	7.2
183.10225	2.0
183.11705	5.0
185.13292	9.0
187.14835	16.3
189.12712	4.0
189.16345	12.9
191.14424	2.3
191.17999	5.4
193.12282	4.5
193.15901	1.5
195.11664	1.4
195.13799	3.4
197.13216	3.6
199.13165	2.7
199.14835	19.6
201.12761	3.2
201.16388	36.1
203.14374	4.6
203.17957	14.4
205.15816	3.5
207.11858	1.5
207.13855	4.3
209.15419	6.0
211.14893	3.1
213.16389	9.6
215.14420	2.5
215.17949	16.1
217.15947	4.4
217.19524	3.5
219.13853	2.1
219.17453	3.5
221.15280	7.4
223.17020	1.7
225.16499	2.3
227.14487	2.1
227.17970	4.6
229.15926	2.0
229.19542	9.3
231.17473	3.9
232.85541	1.4
233.15442	4.2
235.16969	5.2
237.18533	2.3
239.18112	2.1
241.19615	5.5
243.17267	1.8
243.21111	3.9
247.16991	4.4
249.18524	3.5
253.19579	2.0
255.17461	1.8
255.21156	2.7
257.22620	2.4
261.18542	4.2
267.20944	1.9
269.19254	1.6
269.22665	3.3
271.42773	1.5
273.18600	3.1
279.19537	2.8
281.22711	2.0
283.24155	3.3
287.20261	1.8
291.19354	1.6
295.24353	2.8
301.21762	1.7
311.24033	1.6
313.21423	2.3
329.24759	7.9
331.26593	1.7
333.54422	1.5
353.24738	1.5
358.16431	5.6
397.31039	3.2
399.29016	1.9
419.33401	7.2
425.34302	3.1
437.34265	40.6
455.35229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37151	1.3
53.03935	1.7
55.05508	10.6
57.07079	2.5
59.81380	1.3
67.05500	11.1
69.07069	15.9
71.06979	3.5
71.08630	2.1
79.05502	9.1
81.07049	27.5
83.04969	1.5
83.08617	8.7
91.05473	13.4
93.07046	29.7
95.08601	40.7
95.09176	2.8
96.65226	1.3
97.10164	5.3
99.08113	3.0
105.07024	27.4
107.08587	44.2
109.10153	29.9
113.42371	1.4
117.07043	3.6
119.04890	1.8
119.08576	47.7
121.10142	34.0
123.11678	12.4
125.05984	1.5
131.08566	14.4
133.10124	57.4
135.11679	28.2
137.13232	4.1
143.08565	3.2
145.10109	20.8
147.04437	7.4
147.11684	20.1
149.13254	14.6
153.09087	2.7
157.10147	2.9
159.11691	17.2
161.09668	1.7
161.13287	13.3
163.07523	2.1
163.14792	6.7
165.09120	2.6
171.11754	2.7
173.13232	9.5
175.14792	7.3
177.09196	2.3
177.16394	7.2
179.82935	1.5
185.13319	2.8
187.14842	7.7
189.16397	17.5
191.17941	100.0
199.14839	5.6
201.16386	46.9
202.16846	1.7
203.14427	1.6
203.17955	33.2
205.15829	2.3
205.19489	5.8
213.16339	2.3
215.17946	2.9
217.15884	2.9
217.19548	5.7
219.17468	13.8
219.21008	1.5
229.15903	3.8
229.19540	3.3
230.64412	1.4
234.26933	1.5
237.18498	5.1
247.16882	15.7
249.14806	3.9
251.16409	2.5
263.16418	2.5
265.17899	1.8
391.33487	3.2
409.34674	5.9
437.34225	15.7
455.35184	56.6
456.34775	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
54.03365	3.0
55.05507	23.9
57.07058	4.2
62.50866	2.7
63.87416	2.5
67.05505	33.3
69.03411	3.8
69.07076	27.4
69.41026	11.0
69.41470	12.5
71.04983	2.8
79.05498	23.3
81.03403	5.6
81.07056	62.0
83.04974	5.5
83.08613	19.7
85.80582	2.7
91.05481	27.1
93.07044	52.9
94.09827	2.7
95.08604	82.5
97.10163	11.1
98.20763	5.7
105.07029	55.1
107.08596	73.5
109.06517	6.0
109.10162	55.8
111.08074	17.4
117.06997	7.5
119.08581	74.0
121.10145	65.7
123.11700	20.2
125.09605	4.6
129.06949	3.1
131.08588	28.5
133.10133	91.3
133.92339	3.0
134.70087	3.1
135.11682	39.7
137.09625	3.4
137.13263	9.4
139.07553	4.2
143.08545	4.0
145.10118	39.3
147.04375	8.9
147.07997	3.3
147.11667	51.3
149.09608	4.9
149.13243	34.0
153.09067	5.0
157.10120	7.1
159.11670	33.2
161.13251	35.5
162.60382	2.9
163.11208	7.0
163.14839	20.7
167.10712	2.9
171.11665	9.7
173.13223	29.0
175.11043	3.0
175.14815	15.7
177.16377	24.7
185.13251	8.6
186.20547	3.6
187.14810	18.5
189.12721	3.5
189.16376	67.1
191.14258	4.3
191.17946	100.0
197.13339	3.6
199.14796	7.3
201.16380	55.9
203.14360	5.2
203.17953	62.7
205.15837	8.4
205.19516	9.4
207.17389	5.6
213.16434	7.7
215.14285	3.4
215.17944	11.2
217.15866	3.3
217.19510	8.9
218.58325	2.8
219.13789	3.3
219.17519	15.6
221.15288	3.4
229.15974	4.2
229.19548	8.0
235.16936	3.8
241.19269	4.1
243.21010	7.0
247.16939	21.7
249.14838	3.9
249.18474	5.2
255.21042	5.4
261.18719	3.4
278.14813	3.1
291.19547	11.8
309.25696	3.5
391.33511	4.3
409.34686	41.6
437.34467	31.4
455.25934	7.5
455.35510	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30232	0.6
53.03923	1.8
55.05517	9.3
56.96545	1.1
57.07085	3.5
65.03940	0.8
65.84261	0.7
67.05503	12.5
69.03457	0.7
69.07069	19.0
69.85004	4.0
71.08607	1.3
72.49136	0.7
79.05490	12.0
81.03390	1.2
81.06603	1.4
81.07061	25.1
83.08624	9.0
85.02865	0.9
91.05477	12.5
93.07050	31.4
95.04950	1.0
95.08612	41.7
97.02843	1.0
97.06523	1.1
97.10154	3.7
98.21551	0.9
98.46803	0.7
99.08099	2.3
105.07035	28.0
107.08599	44.0
109.06494	1.5
109.10163	28.4
111.04482	0.7
111.07993	0.9
117.07022	2.6
119.06066	1.1
119.08586	47.7
121.06541	0.8
121.10150	40.9
123.11717	9.8
125.05990	1.4
125.09608	1.4
130.07697	0.7
131.08571	12.3
133.10135	48.7
135.11697	32.8
135.12727	1.7
137.13293	4.3
139.07509	1.1
143.08562	2.0
145.10138	15.8
147.11691	23.5
149.13249	14.1
151.14801	1.4
153.09111	2.4
157.10126	2.8
159.11697	10.8
161.11992	1.3
161.13264	16.3
163.11176	1.1
163.14839	7.3
167.10683	2.1
171.11649	0.9
173.09634	1.3
173.13251	5.3
175.14827	7.8
177.09151	1.6
177.16385	10.0
179.14302	2.5
183.11685	1.1
185.13304	1.2
187.11174	0.9
187.14798	6.4
189.16403	13.8
191.17955	100.0
193.15781	0.9
199.14946	1.7
201.16388	24.7
203.17967	32.8
205.15898	2.0
205.19513	4.7
209.15208	0.9
211.14923	1.4
213.16399	1.6
215.17966	3.3
217.19542	14.5
219.17448	7.7
223.16995	1.9
229.15898	1.3
229.19588	1.6
231.17590	0.9
231.21098	5.1
237.18472	11.3
241.19527	1.1
247.17018	3.9
265.18033	2.1
267.09216	0.9
359.26111	0.9
367.16052	1.7
391.33148	1.2
409.34726	5.1
428.41638	0.8
437.34064	5.0
455.35236	44.2
460.06976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
53.68505	1.3
55.01875	2.7
55.05503	13.8
56.96565	5.2
57.03424	1.9
57.07076	3.6
59.04996	6.5
61.02922	3.8
62.44757	1.3
63.23221	1.2
64.40413	1.2
65.03938	1.7
67.05511	19.6
69.03426	4.7
69.07069	20.5
70.06602	2.4
71.04969	2.1
71.08621	1.7
71.28497	2.1
71.28842	1.5
79.05497	15.2
81.03423	4.8
81.07059	33.0
83.04990	1.3
83.08627	17.0
85.02911	8.5
85.06546	2.1
91.03941	3.9
91.05481	22.5
91.06021	1.8
93.07047	32.2
95.04980	2.6
95.08611	59.7
96.31522	1.3
97.02915	3.5
97.06546	3.8
97.10175	4.6
98.97588	2.5
99.04463	1.9
99.08124	2.9
105.07034	26.3
107.04894	1.3
107.08595	47.0
109.02877	2.3
109.06523	2.1
109.10160	36.9
111.04443	2.1
111.08066	1.6
117.07050	4.8
119.04958	9.6
119.08588	51.3
121.06516	1.4
121.10149	37.9
123.08053	1.5
123.11713	19.9
125.09616	2.6
127.03935	4.2
129.07007	2.5
131.00209	1.3
131.08549	14.3
133.06490	1.9
133.09135	2.7
133.10133	57.3
135.11697	32.9
137.09732	1.7
137.13249	9.7
141.03592	1.4
143.00027	1.5
143.08585	4.5
145.10136	25.2
147.04410	7.9
147.08084	1.8
147.11691	20.9
149.09622	3.1
149.13255	20.7
151.07613	1.6
151.14784	1.8
153.09116	2.0
157.10201	5.4
159.11694	17.3
161.09674	1.5
161.13268	15.4
163.03935	3.8
163.07536	2.1
163.11240	2.2
163.14795	9.3
165.09157	3.6
169.10139	1.5
171.11737	4.7
173.09674	2.1
173.13263	11.5
175.03946	9.6
175.14803	13.9
177.09129	2.9
177.16425	11.4
178.09892	1.6
179.10641	1.8
179.14351	2.0
182.15451	3.6
183.11873	1.4
183.15752	2.6
185.13260	3.9
187.11240	1.8
187.14781	11.8
189.16389	23.9
191.10725	1.6
191.14394	3.9
191.16455	3.4
191.17952	100.0
193.12251	1.9
197.13321	2.3
199.14900	5.8
201.16385	47.8
203.17949	33.6
205.15915	3.2
205.19485	7.7
207.06488	18.2
210.14973	2.1
211.15143	3.6
213.16495	5.2
215.07219	1.5
215.18040	3.4
217.07567	1.9
217.15964	2.9
217.19540	8.6
219.17470	10.2
229.07571	2.3
229.15976	3.1
229.19582	3.7
231.21196	2.5
237.14848	2.5
237.18549	4.3
243.10921	2.3
243.21141	3.3
245.15421	3.9
247.16920	16.8
249.14897	3.5
251.16447	1.8
255.21065	2.2
259.17068	2.3
263.16559	3.9
265.18011	2.9
267.09109	5.6
267.16095	1.7
268.09396	1.6
280.58371	1.3
285.10150	12.9
287.19910	1.6
297.75745	1.3
303.05014	2.1
303.41623	1.6
324.11584	5.7
324.61920	1.7
352.78314	1.6
368.35941	1.4
371.38174	1.5
377.01788	2.5
391.33594	4.7
409.34897	7.4
437.34213	18.3
455.22467	7.3
455.35275	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.05511	12.9
57.03423	1.2
57.07076	5.4
67.05507	16.2
69.03430	1.7
69.07064	17.6
70.06584	2.5
70.17220	1.1
70.94466	2.3
70.94808	2.1
71.08604	1.5
79.05491	12.1
81.07056	44.5
83.04977	2.4
83.08620	9.9
86.09705	10.1
91.05476	15.3
93.06484	1.8
93.07043	28.8
93.77547	1.2
95.05006	1.5
95.08608	64.9
97.06520	1.2
97.10181	5.5
105.04502	1.3
105.06310	1.6
105.07029	36.0
107.08590	39.3
107.09313	2.6
109.06537	1.3
109.10155	42.0
111.11682	1.1
116.07072	2.8
117.07040	5.7
117.29977	1.2
119.08582	100.0
121.06516	1.6
121.10146	36.2
123.08052	1.7
123.11715	19.5
129.07007	1.6
130.20917	1.0
131.08566	18.9
133.06502	9.5
133.10123	29.5
135.08072	1.6
135.11688	29.3
137.13277	17.6
143.08548	3.1
145.10124	30.7
147.04475	2.6
147.11705	28.0
149.13261	22.7
151.14775	2.2
157.10153	4.8
159.11691	24.5
161.13237	22.8
163.07516	4.1
163.11145	2.3
163.14833	8.2
169.10158	1.8
171.11697	3.5
173.13229	12.8
175.14832	18.1
177.16437	8.6
179.18051	1.5
183.11601	1.5
185.13264	2.9
187.14828	15.1
189.12665	2.2
189.16374	21.9
191.10695	1.7
191.14383	7.5
191.17947	99.4
193.19595	1.3
199.14789	5.7
199.17986	2.8
201.16385	43.5
203.17949	50.6
205.15932	4.5
205.19511	16.1
207.13878	2.8
211.15034	1.6
213.16431	3.9
215.17871	1.7
217.15974	3.4
217.19499	17.3
219.13953	1.8
219.17427	22.2
219.21107	3.4
225.16377	1.1
227.17677	2.9
229.15831	4.4
229.19475	2.4
231.17555	3.9
231.21117	4.1
233.15332	2.5
235.16922	1.8
237.14763	2.7
245.15384	2.5
245.22589	6.4
247.16948	12.4
251.16322	2.7
257.19040	1.8
257.22650	2.1
259.20599	2.5
263.16391	3.3
265.17953	12.4
267.20767	1.2
271.20737	1.5
275.16470	2.2
277.18002	7.7
303.19427	1.6
305.21164	4.3
317.21146	1.5
331.22556	1.6
340.25803	1.2
371.25732	2.1
391.33539	1.5
409.34702	7.2
437.34393	1.6
455.22375	5.2
455.35239	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05511	12.4
56.96553	1.6
57.03434	1.2
57.07063	4.5
61.02919	1.1
65.03931	1.6
67.05172	1.6
67.05501	14.0
69.03411	1.5
69.07066	20.2
70.29042	3.7
71.04980	1.0
71.08616	1.7
79.05487	13.1
81.03374	1.2
81.07053	40.1
83.04974	1.8
83.08615	11.4
85.02900	2.5
91.05478	14.2
93.07042	30.5
95.05004	1.5
95.08604	58.3
97.02919	1.7
97.06539	2.9
97.10159	4.0
98.82192	1.0
98.97604	2.0
99.08080	2.2
105.07030	28.7
107.08589	46.7
109.02907	1.1
109.06528	2.4
109.10155	36.3
111.08067	2.5
111.11729	2.0
117.07022	4.3
119.08577	53.9
121.10142	38.5
123.08040	1.5
123.11698	17.2
123.81426	1.0
125.05966	1.0
128.85756	1.0
129.06964	1.7
131.08571	16.0
133.10130	64.5
135.08067	1.6
135.11685	34.6
137.13239	8.1
143.08548	5.6
144.09329	1.2
145.10120	22.4
147.11679	18.0
149.09628	1.2
149.13242	21.1
153.09128	4.2
157.10139	5.4
159.07991	1.1
159.11690	19.6
161.13252	20.2
163.03961	1.1
163.07523	3.1
163.11174	3.0
163.14824	9.8
165.09143	2.4
166.21236	1.0
167.10617	1.4
169.10152	1.6
171.11714	3.8
172.12428	1.3
173.09615	1.4
173.13226	12.3
175.14789	12.9
177.09120	3.1
177.12758	1.6
177.16388	10.8
179.14282	1.7
179.18001	1.5
183.11737	1.3
185.13182	5.0
187.11192	1.6
187.14825	10.9
189.16380	25.2
191.10616	1.5
191.14424	5.4
191.17946	100.0
193.12106	1.2
197.13284	1.3
199.14758	5.9
201.16379	47.9
201.18272	2.4
203.14366	3.2
203.17957	34.0
205.15898	3.8
205.19519	9.8
211.14915	1.9
213.16414	4.5
215.18013	4.7
217.15910	3.6
217.19490	7.1
219.17435	11.7
219.21188	1.1
221.18933	1.4
225.16457	1.2
227.17982	1.9
229.15886	4.0
229.19496	2.9
231.21153	2.2
233.15434	1.9
237.18469	4.9
239.17848	2.2
241.19604	1.9
243.21083	2.1
245.15382	3.6
247.16925	17.3
249.14799	5.7
251.16493	2.4
253.19458	1.4
255.21286	1.4
259.09537	1.3
261.10315	1.3
263.16357	4.3
265.18030	3.1
267.09085	2.5
273.18527	1.6
285.10065	1.9
285.18439	1.5
287.19824	1.5
291.19611	1.1
324.11633	1.5
324.61868	1.1
355.26346	1.3
391.33527	5.3
409.34711	8.0
437.34201	17.1
455.35193	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	455.3518
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
55.05511	14.8
57.07061	4.3
67.05492	9.9
69.07072	16.9
70.49206	4.5
70.49567	3.5
71.04983	2.9
79.05485	12.1
81.07057	29.6
83.05856	1.7
83.08641	11.9
91.05470	9.0
93.07050	27.6
95.08003	3.0
95.08611	54.0
97.10153	5.4
105.07034	27.8
107.08599	45.6
109.06493	2.0
109.10165	35.4
117.07021	3.0
119.08586	43.5
121.10146	41.4
123.11700	14.4
125.05991	2.1
131.08597	9.2
133.10139	56.3
135.11705	35.9
137.13231	7.9
143.08551	3.9
145.10132	18.1
147.11682	25.3
149.13243	22.1
151.07523	2.2
153.09088	2.8
157.10081	3.1
159.11690	15.5
161.13275	18.4
163.14856	13.8
167.10596	2.5
171.11760	3.3
173.13272	8.5
175.14806	16.4
177.09109	2.3
177.16356	11.1
187.14781	11.0
189.16386	27.5
191.14401	4.8
191.17957	100.0
192.18367	1.9
199.14804	4.8
201.14603	3.3
201.16394	47.9
203.17972	37.1
205.15895	2.2
205.19536	7.0
215.17961	7.1
217.15919	3.5
217.19576	8.9
219.17470	9.3
229.19528	4.3
231.21123	3.1
237.18474	6.7
243.21104	4.3
245.15608	2.8
247.16914	15.1
249.14928	4.3
251.16507	2.5
263.16678	5.3
391.33624	5.5
395.29599	1.9
404.62918	2.6
409.34720	8.0
437.34366	20.3
455.35211	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22719	1.7
54.46474	1.8
55.05506	12.1
57.07066	4.3
67.05503	9.7
69.07062	16.4
70.73012	4.6
72.70044	1.9
79.05482	11.0
81.07058	34.5
83.08606	14.7
91.05482	9.8
93.07046	30.7
95.08608	54.9
97.10155	3.5
99.08067	2.0
105.07031	29.0
107.08598	52.0
109.10152	32.1
115.70766	1.9
117.06997	3.4
119.08577	50.8
121.10143	45.1
123.11708	14.7
131.08562	12.6
133.09123	2.8
133.10129	58.0
135.11696	34.1
137.13258	8.0
143.08508	2.8
145.10117	20.1
147.10643	2.9
147.11702	24.2
149.13248	20.5
153.09103	4.6
157.10095	4.5
159.11737	15.9
161.13240	16.7
163.14825	11.6
171.11620	3.0
173.13202	9.6
175.14828	12.4
177.16389	11.1
185.13300	3.5
187.14818	10.3
189.16389	24.5
191.17946	100.0
197.94191	2.3
199.14912	4.3
201.16371	42.8
203.17934	33.0
205.15889	3.4
205.19507	9.5
213.16460	2.9
215.17909	4.6
217.16037	2.6
217.19547	10.3
219.17461	10.6
227.17982	2.2
229.19418	2.4
231.21059	4.3
237.18565	7.9
241.19415	2.5
243.21040	2.8
247.16901	15.8
249.14871	2.0
261.22229	2.4
263.16418	3.6
265.17886	3.0
370.36099	2.1
391.33652	3.1
409.34610	7.8
437.34152	17.3
455.35217	64.3
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	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.05510	11.5
57.07069	4.4
63.16262	1.5
66.09119	1.2
67.05495	18.5
69.03403	2.0
69.07065	15.3
71.04963	1.4
71.07603	3.2
71.08618	1.8
79.05487	15.0
81.07056	32.3
83.08612	8.7
85.06536	2.0
91.05473	17.8
93.06477	2.9
93.07038	34.8
95.08607	58.4
97.10160	3.5
99.08087	19.7
100.91425	1.4
105.07028	39.9
107.08588	56.1
109.10151	33.9
111.08055	7.7
111.11720	2.4
117.07013	5.1
119.08576	62.8
120.96600	1.6
121.10143	38.0
123.08036	2.0
123.11697	15.0
123.54581	1.3
127.07636	1.5
129.07007	1.8
130.07771	1.7
131.07588	2.4
131.08563	37.6
133.09116	2.4
133.10129	49.4
135.11682	33.9
135.20332	1.5
137.13257	6.3
142.07829	2.0
143.08524	5.6
145.10121	36.3
147.10498	2.8
147.11676	50.7
149.13280	19.3
153.09157	1.5
155.08589	1.8
157.10159	10.8
159.11682	31.1
161.13245	19.3
163.14824	13.7
169.10080	2.1
171.11693	5.8
172.12447	2.2
173.13266	17.4
175.14787	16.7
177.16359	6.2
178.99765	1.5
179.14255	1.8
183.11711	2.9
185.13202	5.0
187.14813	28.4
189.16383	20.7
191.17943	100.0
193.15718	1.6
197.13220	1.9
199.14822	5.3
201.16370	81.5
202.16632	1.5
203.17923	31.6
205.15852	3.7
205.19438	5.4
207.13741	1.9
207.17392	1.7
211.14738	2.6
213.16394	4.6
215.17911	9.2
217.15865	2.4
217.19490	13.2
219.17398	14.9
221.15263	1.7
225.16441	2.1
227.17830	3.4
229.15872	3.0
229.19485	5.2
229.74670	1.5
231.21065	4.3
241.19499	3.1
243.21112	2.4
247.16959	3.8
255.21184	2.7
269.22632	2.6
327.22980	1.4
327.82877	1.6
335.25793	2.6
337.28824	1.8
391.33542	6.0
409.29645	2.4
409.34653	33.6
437.34372	18.3
455.21268	2.3
455.35321	41.5
483.84305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
54.73262	1.0
55.01867	1.7
55.05512	11.8
56.96567	5.5
57.03425	2.6
57.07067	3.8
57.22012	1.0
59.04977	1.1
61.02925	2.8
63.51881	1.1
65.03938	1.9
67.05181	1.5
67.05510	17.7
69.03436	2.0
69.06723	1.9
69.07072	17.0
69.32389	7.4
73.02902	3.2
79.05507	12.4
81.03444	1.7
81.07063	26.4
82.16506	1.0
83.04974	2.3
83.08618	9.2
85.02905	3.5
91.03957	1.5
91.05486	14.0
93.06483	2.3
93.07047	28.9
95.04975	2.2
95.08614	45.1
97.02890	2.6
97.06546	1.5
97.10169	3.8
98.97578	2.5
99.08086	2.1
99.70089	1.3
105.07037	28.8
107.08604	41.3
109.06504	1.5
109.10165	33.3
111.08082	2.1
117.07008	3.4
119.04935	1.6
119.08592	42.9
121.09386	1.3
121.10152	38.0
123.11716	13.1
125.06050	1.9
125.09626	2.6
131.08571	11.8
131.85464	1.1
133.10147	50.5
135.11702	30.2
137.13263	4.8
143.08588	1.9
145.10127	16.8
147.04419	6.8
147.11697	23.6
149.13289	12.9
153.09120	2.9
157.10172	2.4
158.99678	1.5
159.11690	14.0
161.13268	15.9
163.11234	2.4
163.14807	5.7
170.99608	1.3
171.11729	3.0
172.12396	1.3
173.11861	2.5
173.13312	6.2
175.14812	9.3
177.09210	1.7
177.16423	9.0
179.14322	3.6
179.56667	1.0
183.11607	1.6
185.13254	2.4
187.14851	9.5
189.16391	16.3
189.17943	1.8
191.17958	100.0
193.12242	1.9
197.13197	1.2
199.14857	1.8
201.16382	25.4
203.17982	27.2
205.15950	4.1
205.19550	7.3
209.11794	1.3
211.14900	1.3
213.16454	1.4
215.18030	2.9
215.88161	1.2
217.19508	11.1
219.17438	9.5
223.16856	1.8
227.17979	1.3
229.15979	2.6
229.19504	1.4
231.21181	4.4
233.15314	1.4
237.18469	9.2
241.19562	1.8
247.16820	5.2
255.09033	1.7
255.21416	1.2
263.16501	1.4
265.18060	1.4
267.09082	2.2
343.15955	1.4
383.52045	1.4
391.33847	1.6
409.34656	7.8
437.34216	8.3
454.67776	1.7
455.18744	1.1
455.26004	2.3
455.27676	2.1
455.35263	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.05506	10.2
57.07064	4.4
60.93745	1.3
64.72111	1.4
67.05502	10.0
69.07074	13.1
70.05275	4.9
79.05505	9.1
81.06601	1.8
81.07056	23.5
83.04970	6.1
83.08613	7.3
91.05471	14.5
93.07045	27.1
95.08612	40.9
97.10157	2.5
99.07492	1.9
99.08089	17.1
105.06310	2.1
105.07027	42.8
107.08595	48.5
109.10156	29.2
115.05445	1.4
117.07014	4.9
119.08583	49.7
121.10145	33.6
123.08086	1.7
123.11720	10.8
126.08709	1.2
129.07014	1.9
131.08569	37.3
133.10130	54.0
135.08031	1.4
135.11697	26.7
137.13242	6.3
142.07777	1.4
143.08553	4.2
144.09344	2.2
145.10126	34.8
147.11690	43.7
149.13272	15.6
157.10138	8.6
159.11699	30.3
161.13254	16.3
163.14851	6.2
169.10153	1.4
171.11668	4.1
172.12433	1.8
173.13249	14.3
175.14879	8.3
177.09216	1.5
177.16411	4.1
179.14357	2.4
185.13223	3.9
187.14818	22.3
189.16396	17.6
191.17944	100.0
199.14795	2.9
201.16386	83.6
203.17957	25.9
205.15945	2.2
205.19514	6.7
211.14906	1.9
213.16309	2.6
215.17938	5.6
217.15831	1.4
217.19501	10.8
219.17413	15.1
229.15791	2.3
229.19534	3.0
231.21086	3.4
241.19589	2.0
243.21062	1.6
247.16930	5.4
255.20789	1.7
265.17923	1.9
269.22437	1.7
293.95908	1.3
301.21875	1.5
312.25446	1.3
337.28967	2.4
391.33627	3.8
409.34708	26.0
430.64307	1.4
437.34140	14.5
455.35284	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	3.1
67.05490	1.2
69.07099	0.8
69.54758	1.3
69.55171	4.9
70.06593	0.9
81.07059	0.8
84.96042	1.7
85.02922	2.0
91.05489	1.6
93.07032	1.7
95.08605	1.1
97.02911	1.0
98.97586	10.3
99.05036	0.8
105.07038	1.6
110.97572	4.6
112.99162	1.2
116.00565	0.8
116.98627	2.7
117.03388	1.8
120.45467	0.8
121.10181	1.3
127.03902	0.8
128.24422	0.8
128.98610	4.0
141.24643	0.9
143.00127	1.2
145.02837	4.6
152.05699	2.8
158.99652	2.0
161.01233	1.0
170.99611	1.2
177.00687	1.9
177.05493	9.6
179.03790	5.6
189.00725	1.3
189.08850	0.8
197.04874	1.3
216.39978	0.8
219.01772	6.7
221.04910	3.6
237.02818	8.6
246.11203	3.7
246.61414	4.0
263.05945	1.7
323.08029	9.6
341.09073	8.6
378.34818	1.1
455.13037	100.0
455.23172	11.0
456.13437	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1523
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
53.03942	1.4
56.96560	1.5
57.03425	1.2
61.02908	1.0
65.03936	0.8
67.05515	0.8
69.03424	5.3
70.06594	0.9
71.05012	1.0
71.55276	0.7
72.85382	0.5
73.02905	0.8
76.96931	0.5
79.05466	0.8
81.03423	2.9
81.07082	0.7
83.04961	0.9
85.02904	7.0
87.00851	1.4
87.04461	0.7
91.05484	5.8
93.07028	0.9
93.15498	0.6
95.05000	0.7
97.02889	3.9
98.97596	3.1
99.04454	1.6
100.36936	0.6
103.05466	0.9
105.01889	1.9
105.07034	0.9
107.04986	1.1
109.02882	2.6
109.06554	0.6
111.04436	1.2
115.03940	0.8
116.98623	1.9
118.04144	0.9
119.04957	5.5
121.06538	0.6
123.04424	1.6
127.03941	5.2
128.98653	0.6
129.03365	3.6
131.04955	1.2
135.04416	0.8
137.06026	0.7
139.03918	3.4
143.10712	0.7
145.05000	2.1
147.02933	0.9
147.04428	6.1
149.02327	0.6
149.06059	0.7
150.05424	0.7
153.01842	2.2
153.05232	0.6
158.99654	1.1
161.05971	1.1
161.07135	3.2
163.03893	0.7
165.05457	0.7
173.04469	1.4
175.03902	6.8
177.00630	1.0
177.05446	3.5
179.07021	0.8
181.04921	0.8
189.05475	17.9
193.04984	1.5
205.05118	0.9
207.06506	3.6
219.01903	1.0
221.36095	0.6
225.07703	1.0
253.08286	1.2
262.04352	1.8
271.04892	1.0
275.14014	1.8
287.05746	0.6
293.14761	1.0
335.09497	1.5
343.01334	1.0
361.02478	0.8
374.07809	0.9
374.58115	1.0
379.03345	1.1
421.04617	1.1
423.09390	0.8
455.15356	100.0
456.15836	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2929
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05510	2.4
57.03437	3.4
57.07082	19.4
62.06096	23.6
67.05509	3.7
69.07059	4.0
70.90457	1.6
71.08636	14.3
73.21046	0.7
81.07048	6.0
83.08638	4.0
85.10175	6.3
87.54565	0.7
91.04015	0.9
91.50785	0.7
93.07045	1.3
95.08617	9.9
97.02909	0.8
97.10171	2.2
98.97755	0.8
98.98456	3.2
99.11688	1.2
108.32115	0.8
109.10159	4.1
113.04432	0.7
123.11750	1.7
124.01637	1.5
131.08717	0.7
142.02641	1.3
155.01076	6.5
162.81409	0.8
198.05295	1.4
216.06361	3.4
239.23669	2.3
248.89374	0.9
282.27917	11.2
313.27380	100.0
314.27570	1.6
317.17844	0.8
349.15851	2.3
365.50595	0.9
384.90714	0.9
393.24023	6.8
436.28009	5.1
454.29138	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	1.1
57.03416	0.6
60.74483	0.5
63.01963	0.5
67.05473	1.0
69.03392	2.1
69.07028	0.6
70.06551	1.9
71.54728	0.8
72.08112	0.7
81.06989	0.6
85.02888	2.8
86.09665	0.8
91.05435	1.6
93.07031	0.7
95.04945	1.1
95.08522	0.6
97.02846	1.4
98.97546	1.3
107.08543	0.7
108.29488	0.5
109.02862	0.7
111.04414	0.7
115.03836	0.5
116.98572	0.6
120.08072	0.6
121.10079	0.8
124.07539	1.1
125.09617	1.1
127.03931	0.7
143.10629	0.9
145.80058	0.6
147.04314	2.1
152.07004	0.8
161.02867	0.7
161.05902	0.6
163.03812	2.0
170.08031	0.8
177.05298	1.2
183.06577	0.6
187.61334	0.6
189.05400	1.0
207.06561	0.6
213.12193	0.8
231.04803	3.1
233.04068	1.4
247.05565	0.7
265.06735	1.0
303.04556	0.5
410.70447	0.5
423.09000	0.6
437.10150	1.7
455.11203	100.0
455.66678	0.5
456.11404	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1317
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
56.96563	3.1
61.84650	0.8
69.03428	1.1
70.19299	3.1
79.05499	1.1
81.07060	1.0
84.96029	1.5
91.05505	1.2
98.03211	0.9
98.97592	9.8
100.18312	0.9
105.07015	1.8
110.97582	4.0
116.98597	1.3
128.98590	2.4
140.98557	1.5
143.00226	1.4
145.02849	2.5
147.04439	1.1
152.05627	1.3
158.99600	1.8
177.00824	1.2
177.05513	4.9
179.03729	3.3
201.00728	1.4
219.01743	7.6
221.04904	4.2
233.19647	0.9
237.02901	7.0
238.15015	0.9
239.05928	1.0
246.61342	2.0
263.05954	1.9
323.08051	10.1
341.09134	6.0
436.94812	1.2
455.12994	100.0
455.22803	6.0
456.13016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
55.05507	3.6
56.96555	4.1
57.03439	31.1
59.05003	5.1
60.04507	2.9
61.02914	5.9
65.67841	2.9
69.03431	88.9
69.07057	4.8
70.06587	8.3
71.05005	2.5
71.53413	3.2
72.08164	4.6
73.02921	16.7
74.09687	2.8
75.04490	3.4
76.41142	2.2
79.05494	8.5
81.03416	6.0
81.07066	5.6
82.59606	2.3
83.05002	4.2
84.08157	6.3
85.02905	78.1
86.09722	7.6
87.04471	50.7
91.05483	23.7
93.07057	3.2
97.02894	58.7
97.06522	2.6
98.97586	10.7
99.04453	2.7
100.49648	2.3
105.07018	3.0
107.08592	33.9
109.02863	6.7
115.03938	57.2
116.98597	4.2
118.06545	21.4
119.04982	3.1
124.03964	2.2
125.05978	2.4
125.09632	91.5
127.03947	7.5
129.07004	10.5
129.10258	5.0
130.06520	45.6
132.08044	12.1
133.04962	49.3
142.06560	3.3
143.00227	2.4
143.10727	4.4
144.08084	38.5
145.04958	9.4
147.04410	11.5
148.04703	4.2
150.07613	4.6
153.05521	3.4
155.31674	3.1
156.08090	41.5
158.06003	12.0
158.18344	2.4
158.99634	4.0
160.07596	100.0
168.08096	3.4
170.09645	2.9
172.07574	16.1
174.09032	3.4
177.05464	3.7
180.08139	3.0
184.07573	35.6
185.08078	6.9
193.08585	5.1
198.09186	2.6
200.07153	2.9
202.08647	63.9
208.07626	3.5
210.09328	2.6
211.09529	2.3
214.08769	2.7
219.01807	2.9
226.08611	9.6
237.02872	3.4
238.08566	3.5
249.02832	3.0
256.09677	5.7
259.58838	3.1
260.09119	3.3
274.10754	13.8
283.08771	3.6
292.11682	28.6
304.11783	3.3
324.70551	2.4
339.59891	2.3
358.08276	2.5
395.06360	2.9
454.14145	8.0
454.19894	3.9
455.14816	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	453.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01860	5.6
55.05511	18.6
57.03420	5.1
57.07063	5.4
65.03899	2.2
66.13756	1.4
67.05173	2.8
67.05498	23.0
68.80955	1.7
69.03415	7.2
69.07069	31.9
70.07402	4.1
71.55700	2.2
73.02908	3.7
77.72572	1.4
79.05492	22.3
80.05825	3.5
81.03407	4.5
81.07053	41.1
82.65053	1.6
83.04980	5.7
83.08610	12.3
85.02898	7.3
85.06548	14.2
86.09701	3.6
89.03918	2.4
91.05486	17.9
93.07040	33.6
93.70497	1.6
95.04964	3.9
95.08605	52.0
97.02892	4.7
97.06529	100.0
97.10173	5.8
98.06863	30.8
99.04467	2.0
99.07049	5.3
99.08099	6.5
100.07607	2.2
100.11252	13.8
105.04568	2.0
105.07040	48.2
107.04964	1.9
107.08595	43.3
109.02905	2.4
109.06494	4.3
109.10159	33.3
111.04449	3.9
111.08067	4.8
113.09636	2.6
115.05443	2.7
117.03387	3.9
117.06988	6.5
117.98637	1.7
118.03693	2.1
119.04927	1.7
119.08576	53.5
121.06503	4.1
121.10148	32.7
123.08086	9.4
123.11709	11.7
124.99999	4.6
125.09635	4.6
127.03932	2.3
128.06226	2.7
129.06996	3.9
131.08572	23.7
133.02841	2.5
133.06534	2.5
133.10120	34.2
135.04425	7.3
135.08087	8.5
135.11673	19.1
135.27284	1.9
136.04759	2.7
137.09605	2.9
137.13286	3.4
138.17152	1.6
139.11194	2.5
141.06981	3.4
142.07779	2.4
143.08536	11.8
145.02835	5.7
145.10120	36.3
146.03178	1.7
147.04405	3.9
147.11687	37.4
149.09637	2.7
149.13271	20.6
151.07535	1.8
151.11206	2.6
153.09077	2.6
155.08588	9.8
156.09344	2.2
157.10130	14.6
158.10924	2.0
159.04419	6.9
159.08073	2.2
159.11700	27.7
161.02382	11.9
161.09682	5.2
161.13264	22.1
162.02719	6.7
163.02820	2.6
163.03935	35.0
163.07639	2.2
163.11203	4.0
163.14854	11.7
164.04266	18.9
165.04379	11.1
165.09113	1.8
167.08566	3.8
169.06456	1.8
169.10158	9.5
171.11652	11.1
172.12469	2.1
173.02344	19.8
173.06129	2.1
173.13271	24.4
174.02673	15.4
175.02783	9.8
175.11215	2.7
175.14821	21.9
177.09024	1.9
177.16422	12.5
179.08632	3.6
179.10590	2.2
179.14343	2.0
181.10168	2.5
182.15424	5.4
183.11678	7.2
184.07294	12.2
184.12393	2.1
185.06052	2.7
185.07697	5.4
185.13268	9.7
187.03926	2.4
187.07587	2.1
187.11220	3.0
187.14830	19.4
189.12802	4.4
189.16371	28.8
191.03345	2.7
191.14346	2.0
191.17969	6.6
197.05980	1.8
197.09654	4.6
197.13303	6.2
199.07611	2.5
199.11108	2.4
199.14807	13.8
201.05487	5.7
201.09048	2.4
201.12746	1.9
201.16391	40.3
203.14378	3.8
203.17944	28.1
205.15901	11.8
205.19534	3.2
207.13869	2.6
207.17493	5.5
209.13326	2.7
210.14961	9.2
211.14917	6.1
213.16283	8.1
214.06296	2.1
215.07024	27.4
215.10556	8.8
215.14372	2.8
215.17986	11.2
216.07365	18.2
217.07603	19.2
217.12161	4.7
217.15843	3.4
217.19591	5.9
219.13882	2.3
219.17421	4.9
223.14751	2.4
225.09224	9.6
225.16397	6.8
227.17938	8.9
229.15851	2.0
229.19591	5.0
231.17451	5.5
233.15318	2.1
233.19031	2.6
237.16412	2.8
239.18010	5.3
241.19597	5.3
243.10194	13.0
243.21129	3.2
245.15332	3.9
247.17014	7.6
249.18491	3.3
251.17871	2.1
253.19536	6.0
259.09650	57.8
259.17010	2.2
260.10010	52.3
261.10245	78.1
261.18686	3.3
262.10748	2.0
265.19437	2.5
267.21042	3.0
269.15564	2.0
273.18570	10.3
291.19485	10.9
293.22824	2.5
339.23434	1.8
347.42038	1.8
389.32172	8.8
391.33731	1.8
395.29434	3.9
407.33109	32.1
408.33575	1.7
409.34692	2.1
420.11435	1.8
423.32556	3.8
435.32700	24.6
453.33780	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03942	3.2
55.05304	2.1
55.05517	19.7
57.07077	4.1
67.05508	22.9
69.03435	4.3
69.07073	22.9
71.04989	6.6
71.61709	1.6
79.05489	17.3
81.03416	5.2
81.07064	48.3
83.04984	4.4
83.08611	11.6
85.02905	13.0
89.12075	1.8
90.12700	1.8
91.05472	15.5
93.07049	36.0
94.95316	1.7
95.04996	4.7
95.08614	70.6
97.02873	3.1
97.06522	3.6
97.10188	5.5
99.04440	2.3
103.03939	4.8
105.07038	63.4
107.08598	60.5
107.09313	3.4
109.06520	3.7
109.10162	46.8
109.98695	1.6
111.04480	3.7
111.08067	11.7
115.05470	2.0
117.07024	6.6
119.08588	73.3
121.06487	1.9
121.10150	37.5
123.11730	10.9
127.03893	8.8
128.06209	1.9
129.05495	5.9
129.07034	3.3
130.07782	2.5
131.08578	24.5
133.10149	54.7
135.07979	2.0
135.11705	25.6
137.13231	4.3
139.11232	4.0
143.08569	8.5
144.09375	4.1
145.10143	44.3
147.11700	51.9
149.02367	3.7
149.13272	30.1
153.09120	4.7
155.08592	4.8
157.10132	16.9
159.11699	33.0
161.09656	2.0
161.13264	34.6
163.07652	1.8
163.11127	2.6
163.14842	11.9
165.12790	2.3
167.10765	2.1
169.10156	6.4
171.11742	13.3
173.11795	2.4
173.13284	25.8
175.14828	33.0
177.09116	2.9
177.16409	20.1
181.10120	2.3
183.11708	8.4
185.13313	12.9
187.14833	29.4
189.12816	2.7
189.16394	41.1
191.14360	4.4
191.17941	13.0
193.15834	2.3
195.11629	2.1
197.13246	5.5
199.14832	16.3
201.16394	46.5
201.18271	2.4
203.14313	5.8
203.17967	68.2
205.15892	22.4
205.19620	5.1
207.17430	5.3
209.13284	3.7
211.14886	5.5
213.16426	17.3
215.17984	13.7
217.15959	7.9
217.19536	10.6
219.13803	2.6
219.17523	5.6
221.15422	4.1
223.14792	2.8
225.16437	5.4
227.17944	6.2
229.07039	2.5
229.15929	1.9
229.19540	4.9
231.17490	6.4
233.19012	4.2
235.16998	3.2
237.16484	4.4
239.17920	6.7
241.19539	10.4
243.17563	2.2
243.21138	2.9
245.15498	4.3
247.16945	11.5
249.14772	3.1
249.18623	11.0
251.18057	2.0
253.19507	8.3
255.21053	3.3
259.17056	2.9
259.20575	4.1
261.11108	2.6
261.15121	2.9
261.18353	2.5
265.19678	2.5
267.21091	6.0
271.20804	3.1
279.21124	4.1
281.22842	2.3
285.18585	5.3
287.20029	5.7
293.22592	2.1
299.20087	6.2
301.21814	1.8
313.21802	3.0
347.27316	2.1
349.28931	3.8
389.32193	9.9
395.29538	8.3
407.33136	37.1
417.22641	1.9
423.32562	4.3
435.32565	34.4
436.32739	2.4
453.15268	2.9
453.24609	4.9
453.33694	100.0
454.33487	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03949	3.0
54.53228	1.4
55.05514	11.2
56.23916	1.4
57.07069	3.6
58.97432	1.3
59.89983	1.3
64.85335	1.3
67.05511	24.6
69.07073	18.7
71.25292	2.6
79.05498	21.0
81.07060	39.9
83.04991	2.1
83.08622	8.3
85.02921	1.8
85.06551	2.4
91.05482	22.9
93.07047	38.9
95.04942	2.9
95.08611	54.8
97.10162	4.1
99.04362	1.6
105.07031	39.6
107.08596	40.0
109.06526	5.6
109.10161	28.4
111.08109	1.7
117.07034	10.1
119.08583	35.1
120.45207	1.5
121.06520	13.1
121.10142	22.8
123.08068	9.1
123.11726	9.3
125.06004	10.1
128.06232	1.9
129.06996	7.2
131.08572	26.9
133.06523	2.6
133.10130	32.7
135.08055	3.1
135.11708	14.7
137.09671	2.2
137.13240	4.0
141.06987	1.7
142.07750	4.1
143.08571	19.6
144.09343	1.7
145.10138	34.9
147.08049	2.8
147.11714	19.1
149.09619	3.5
149.13246	11.1
153.09190	1.7
155.08549	5.0
156.09311	2.6
157.10143	17.8
159.11700	26.3
161.09650	4.5
161.13255	16.2
163.11211	2.6
163.14816	6.3
165.09125	3.1
167.07074	17.9
167.08464	2.7
167.10764	1.8
169.08598	5.4
169.10139	9.7
170.10962	1.5
171.11687	14.8
173.09642	3.1
173.13286	15.7
175.11137	2.7
175.14844	9.3
177.09215	1.5
177.16420	3.7
179.10712	3.5
181.08702	1.6
181.10193	4.4
183.11679	7.4
185.13229	9.7
187.11197	3.4
187.14769	9.5
189.12750	3.6
189.16411	6.6
191.10739	3.7
193.12279	2.4
195.11763	5.6
197.13298	6.9
199.11189	2.1
199.14871	10.6
201.16376	19.7
203.10741	1.9
203.17973	7.9
205.12199	2.6
207.11797	1.7
207.13702	2.3
209.13297	6.4
209.15228	1.4
211.14847	4.8
213.12737	1.8
213.16216	8.2
215.10623	1.7
215.14343	2.0
215.17979	9.4
217.12213	4.3
217.15826	1.6
217.19446	3.0
219.13821	3.3
221.13353	1.8
221.15486	2.0
223.14856	4.6
225.16405	2.8
227.17952	3.5
229.19519	6.3
231.21034	1.7
233.15349	3.6
237.16455	3.2
239.17969	3.6
241.19556	1.9
243.13872	1.8
243.21164	3.3
245.15369	2.5
247.16908	2.3
251.18080	3.1
255.21140	2.5
257.15414	3.0
257.22430	1.6
267.21124	3.5
269.22705	4.1
271.16971	1.6
271.24265	2.1
273.25781	2.7
278.20605	1.5
279.29193	1.5
281.22760	2.4
283.16928	3.2
283.24136	4.2
285.18408	2.6
307.24136	1.8
319.24255	1.8
325.21640	3.2
327.23242	4.5
329.25040	2.0
339.26978	3.2
341.21069	1.7
351.23218	3.4
353.24661	1.8
365.24500	2.3
379.26419	5.0
395.29453	4.1
397.27457	2.4
407.33322	2.7
417.31561	4.9
423.32819	2.0
435.32660	42.9
453.33670	100.0
454.35175	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	453.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37002	2.6
53.03945	5.1
53.07776	2.6
55.05513	21.4
57.03440	3.4
57.07080	4.3
60.95862	2.6
67.05502	40.6
69.07080	22.2
69.86535	12.6
71.04986	8.0
77.03917	2.9
79.05492	39.0
81.07060	67.4
81.74350	2.7
83.04989	4.4
83.08620	10.0
83.96800	2.6
85.02918	4.1
91.05477	40.7
93.07048	70.9
95.04966	6.7
95.08610	100.0
97.06536	6.5
97.10143	3.8
99.08080	3.0
105.07037	84.9
107.08598	86.9
109.06509	6.9
109.10170	50.6
109.22367	2.9
111.08090	11.3
113.09653	5.8
113.83352	2.7
117.07021	19.6
119.06134	3.0
119.08582	96.0
121.10139	51.2
121.10941	4.3
122.91249	2.7
123.08083	9.7
123.11696	14.2
125.09646	6.0
127.07563	3.2
129.07027	11.9
131.08577	47.4
132.17845	2.4
133.06505	5.1
133.10126	68.8
135.08070	8.6
135.11691	28.7
139.07538	4.0
142.07825	6.8
143.08549	25.4
144.09351	3.6
145.06555	3.0
145.10130	69.0
147.08031	7.7
147.11694	54.3
149.09596	3.7
149.13232	15.5
151.14867	2.8
153.09100	5.3
155.08540	9.5
156.09335	5.5
157.10141	31.2
159.08046	5.0
159.11699	67.6
161.09627	7.8
161.13271	34.5
163.07576	4.4
163.11110	4.8
163.14856	7.2
165.12755	2.8
167.10779	2.7
168.09366	3.9
169.08784	2.8
169.10153	11.3
171.11659	27.0
173.09633	5.5
173.13275	50.2
175.11214	5.7
175.14798	22.7
177.09106	3.3
177.12775	4.5
177.16394	7.6
179.10738	6.7
180.09042	3.1
181.10080	6.6
181.12213	3.6
183.11679	15.4
183.74562	2.7
185.13234	17.7
187.04187	2.9
187.11446	2.8
187.14783	27.3
189.12744	5.1
189.16376	18.7
191.14230	4.0
193.12242	5.7
195.11786	5.1
197.13286	11.8
199.11168	3.9
199.14824	30.3
201.16383	34.4
203.14288	4.0
203.18018	8.8
205.12238	5.6
205.15997	4.5
207.13808	5.9
209.13354	5.6
209.15274	3.2
211.14871	10.9
213.16351	16.4
215.14444	5.0
215.17889	12.7
217.12234	2.7
217.15889	9.1
219.13892	8.3
219.17444	14.9
221.15396	6.2
223.14888	3.3
225.16377	8.6
227.17877	7.2
229.15895	4.8
229.19421	3.9
231.17441	6.0
233.15378	12.6
235.16963	7.9
237.16364	3.3
239.17889	4.7
241.15886	3.3
241.19563	6.4
245.15329	5.6
245.19151	2.9
247.16975	7.2
253.19542	6.5
255.21135	4.8
259.17068	5.0
263.17810	3.2
267.21124	6.2
279.20996	3.8
287.20154	3.7
293.22626	4.0
299.20090	4.4
309.22089	2.8
311.24097	3.4
327.23221	8.8
341.24802	2.8
349.24936	3.3
367.26437	5.6
393.27429	5.3
393.31924	3.2
395.29456	6.2
407.33328	18.6
417.31546	9.3
423.32486	6.5
435.32599	61.6
453.33810	86.3
454.34201	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	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03937	2.5
55.01860	1.7
55.05512	13.6
57.03446	0.7
57.07083	2.9
65.03938	2.2
67.05507	33.9
69.03422	1.1
69.07071	19.3
71.04998	4.5
71.54852	0.6
77.03928	1.2
79.05497	26.9
81.03403	0.6
81.07059	54.8
83.04975	2.9
83.08619	6.8
85.02906	1.4
85.06534	2.7
91.04897	1.1
91.05483	28.0
93.07047	51.2
95.04980	3.6
95.08611	70.1
97.06534	3.7
97.10151	2.8
99.04459	2.0
99.08102	0.9
101.06001	1.0
103.05468	1.9
105.04564	1.2
105.07034	53.7
107.08596	58.9
109.06528	7.2
109.10159	45.0
110.10465	0.6
111.04436	0.6
111.08086	4.1
111.11708	0.6
113.05963	0.6
113.09665	1.4
115.05461	2.0
116.06237	0.6
117.07024	14.4
119.08585	57.1
121.06517	5.6
121.10147	32.8
121.11040	1.0
123.08067	5.8
123.11712	16.4
123.12595	1.0
124.71804	0.5
125.06003	3.6
125.09646	2.5
127.07512	1.0
127.11179	1.2
128.06206	2.8
129.07007	6.9
130.07787	2.3
131.08571	35.6
132.09151	0.6
133.06509	1.6
133.10135	39.5
135.08072	5.2
135.11697	16.9
136.11888	0.6
137.09605	2.2
137.13252	2.3
139.07538	1.3
141.07014	2.0
142.07780	4.6
143.08559	20.0
144.09361	3.4
145.06447	1.0
145.10123	49.4
147.08076	5.6
147.11693	30.5
149.09610	4.2
149.13266	10.3
151.07573	1.0
151.11269	0.9
153.09117	1.9
154.07730	0.7
155.08565	6.9
156.09352	3.0
157.10136	24.9
158.10866	2.8
159.08089	3.5
159.11697	40.1
160.12488	0.9
161.09645	5.2
161.13257	17.2
163.07574	1.9
163.11182	3.4
163.14832	6.7
165.07014	0.8
165.09119	3.3
165.12755	0.9
165.16391	0.6
167.07057	4.7
167.08470	1.1
167.10693	2.3
168.09363	1.3
169.08629	1.8
169.10153	9.5
170.10922	1.3
171.08078	0.9
171.11685	18.9
173.09669	3.6
173.13260	23.9
175.11240	4.2
175.14832	9.9
177.09148	2.1
177.12770	2.3
177.16382	2.9
179.08537	0.9
179.10641	4.5
179.14261	0.6
180.09453	0.6
181.08640	1.0
181.10132	4.0
181.12270	1.8
182.10924	1.5
183.11700	10.6
184.12436	1.1
185.09601	1.3
185.13269	15.0
186.14020	1.1
187.11240	3.2
187.14806	16.0
189.12701	3.6
189.16394	11.0
191.10693	3.1
191.14334	2.1
191.17941	2.6
193.10207	1.7
193.12260	3.6
193.15912	1.6
194.10927	1.2
195.11716	5.5
195.13673	1.4
196.12503	1.1
197.09459	0.8
197.13251	8.8
199.11206	2.2
199.14816	16.7
199.16600	1.0
201.12790	3.9
201.16382	27.3
203.10716	1.9
203.14296	2.8
203.17969	9.4
205.12164	3.1
205.15938	2.7
207.11737	1.5
207.13829	3.3
207.17592	1.0
209.13316	4.0
209.15219	0.9
211.11227	1.2
211.14838	5.9
213.12776	2.6
213.16371	8.2
215.10791	0.8
215.14461	3.5
215.17947	13.7
217.12241	3.4
217.15785	3.5
217.19460	2.7
219.13783	6.1
219.17343	3.2
221.13293	1.9
221.15422	5.3
223.14891	3.5
223.73848	0.7
225.12772	1.0
225.16405	4.5
227.14310	1.8
227.17949	4.6
229.12259	0.9
229.15829	2.7
229.19487	5.0
231.13841	3.8
231.17535	2.7
231.21059	0.8
233.13268	0.9
233.15381	5.9
233.18951	2.6
235.14841	2.1
235.16942	2.7
237.16475	2.2
239.14383	0.7
239.17870	2.7
241.15898	2.2
241.19557	2.2
243.13867	1.3
243.17442	1.0
243.21147	2.4
245.15390	3.6
247.16905	4.5
249.16426	1.5
251.17970	2.2
253.15860	0.9
253.19510	2.3
255.13696	0.7
255.17424	1.3
255.21124	1.1
257.15448	1.7
257.19000	0.7
259.16934	5.4
261.18542	0.9
265.15741	0.7
265.19479	1.5
267.21136	1.9
269.15561	1.2
269.19156	1.1
269.22723	1.9
271.17014	2.6
271.19730	0.6
271.24207	1.2
273.18539	3.5
279.21112	1.3
281.19171	1.0
281.22711	1.6
283.16891	1.2
283.23972	0.9
285.18628	2.6
285.21646	0.6
285.25739	0.6
287.20062	1.7
287.23611	0.7
289.18784	0.6
291.21078	0.6
293.22583	1.5
297.18585	1.4
299.20001	1.7
307.20453	0.7
307.24039	1.2
309.22113	3.4
311.20023	2.4
311.23578	1.2
313.21527	1.4
321.25769	0.7
323.20276	0.7
325.21857	2.5
325.24982	0.7
327.23181	10.7
329.21045	1.4
329.24829	2.6
333.26062	0.7
335.23624	0.8
335.27292	0.6
337.21848	0.6
339.23172	1.3
339.26865	1.3
341.24976	1.0
343.22766	1.9
345.24399	1.0
349.25375	0.7
351.23196	1.2
353.24640	1.1
355.26334	0.7
356.28204	0.6
361.25110	0.8
367.26486	1.7
375.30493	1.1
377.28333	1.5
379.26190	2.3
393.27310	0.9
393.31647	1.6
395.29578	1.9
397.27545	1.0
407.33423	3.4
417.31537	6.7
423.32309	1.4
425.34418	0.9
435.32617	33.3
436.33444	0.6
453.33667	100.0
454.33942	2.1
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
53.03939	4.5
55.05518	15.1
56.96592	2.6
57.03419	3.4
57.07067	4.6
57.60256	1.7
65.03957	2.2
67.05508	44.6
69.03430	3.5
69.07070	22.2
71.05000	4.5
71.08631	1.6
71.56692	2.3
71.93356	1.6
79.05495	25.5
81.07056	50.7
83.04984	11.4
83.08627	13.4
85.02914	3.4
85.06527	2.1
87.01756	1.6
91.05473	25.8
93.07047	41.9
95.04968	8.3
95.08607	55.6
97.06533	4.4
97.10189	2.6
105.07031	52.1
106.55608	1.7
107.04982	2.5
107.08597	48.9
109.06526	7.9
109.10162	46.8
109.10925	2.6
110.59765	1.8
111.04431	2.6
111.08096	4.9
117.07022	11.4
119.08589	49.8
121.06525	9.9
121.10136	28.6
123.08086	8.6
123.11706	13.7
125.06024	8.1
125.09640	3.2
128.06198	3.2
129.07011	7.6
130.07762	2.1
131.08580	31.3
133.06520	2.1
133.10124	33.4
135.08075	5.6
135.11707	18.3
137.09627	2.7
137.13272	3.0
139.07556	1.8
141.06989	3.1
142.07793	2.3
143.08540	17.8
144.09337	1.9
145.10130	37.8
147.08087	5.9
147.11687	25.0
149.09702	4.7
149.13245	9.4
151.07559	2.1
153.09114	2.7
153.22687	2.0
155.08604	5.9
156.09375	2.4
157.10133	22.4
159.08067	4.2
159.11693	29.4
161.09621	8.6
161.13245	15.6
163.11179	3.1
163.14859	5.9
165.07025	2.4
165.09109	3.8
167.07079	10.9
167.08391	2.7
167.10735	3.7
169.08658	5.4
169.10179	9.3
171.11647	17.9
173.09651	4.2
173.11856	4.2
173.13316	19.3
175.11224	5.1
175.14842	10.9
177.12814	3.6
177.16399	2.9
179.10759	4.7
179.14247	1.9
181.08638	2.3
181.12283	2.6
182.10927	2.2
183.11705	10.7
185.09653	2.2
185.13217	11.8
187.11243	4.2
187.14862	10.8
189.12801	3.7
189.16447	7.5
191.18071	2.9
193.12323	3.2
195.11728	3.4
196.12570	1.9
197.13315	7.8
199.14796	12.8
201.12837	2.9
201.16350	15.3
203.17984	5.6
207.11864	3.1
207.13759	2.3
209.13400	4.3
211.14911	5.8
213.12747	2.3
213.16469	6.6
215.14337	3.8
215.18060	6.4
217.15930	3.2
217.19537	4.4
219.13808	4.2
221.13295	2.0
221.15292	4.2
223.14894	4.5
225.16510	5.3
227.18013	3.8
229.19498	4.1
231.13972	3.0
231.17479	3.1
233.15456	3.5
237.16425	2.9
239.17943	3.6
241.19646	2.9
251.18016	3.4
251.20703	1.9
255.21169	2.5
259.17010	4.5
265.19644	2.4
267.21072	4.0
269.19156	2.3
269.22818	2.9
271.16980	2.1
271.24234	2.1
283.24341	3.7
285.18555	2.1
285.25726	3.2
292.42621	2.1
295.57220	1.8
299.20129	2.8
311.20175	3.7
325.21719	2.2
327.23300	6.8
337.22137	2.9
343.22736	2.4
379.26425	4.1
395.29810	2.9
407.33401	3.4
417.31900	4.3
435.32767	41.2
453.24762	10.7
453.33762	100.0
454.34296	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03961	1.8
55.05519	12.6
57.03450	3.1
57.07075	5.0
63.61975	1.7
67.05509	28.3
69.07063	24.3
71.40687	4.2
79.05499	16.6
80.41859	2.2
81.07062	52.5
83.08631	11.2
91.05470	21.5
93.07045	41.1
95.04976	5.0
95.08608	57.5
97.10181	5.4
99.08115	2.6
105.07035	56.6
107.08594	47.1
107.24294	2.1
109.06533	7.2
109.10163	39.0
109.10839	1.6
111.08082	8.8
115.05511	2.7
115.30843	1.9
117.07025	8.3
119.08587	81.2
121.10150	35.5
121.10943	3.1
123.08145	2.7
123.11720	14.1
125.09654	3.9
128.06308	2.8
129.07080	3.7
130.11095	1.9
131.08571	37.0
133.10146	60.9
135.08107	2.9
135.11681	18.3
137.13260	5.3
139.11247	3.0
142.07779	4.1
143.08559	18.7
145.10135	51.0
147.11693	36.3
149.13275	16.7
151.11153	4.2
153.09074	3.7
155.08586	6.3
157.10118	32.1
159.11697	38.2
161.13258	56.1
163.11180	2.9
163.14806	19.9
165.12813	3.5
167.10745	2.4
169.10135	10.6
171.11699	18.5
173.13234	22.7
175.14833	33.7
177.16350	15.1
179.14320	26.9
181.10190	4.1
181.15944	2.9
183.11745	7.8
184.12520	4.0
185.13327	10.1
187.14810	27.5
189.16408	43.5
191.14336	3.5
191.17937	4.9
193.15892	26.5
195.11739	4.1
197.13307	8.5
199.14856	20.1
201.16388	43.7
203.14369	4.2
203.17953	37.7
203.19742	2.5
205.15878	14.4
207.11855	2.3
207.17459	3.2
209.13351	3.3
211.14804	5.2
212.15639	3.1
213.16376	26.7
215.14421	2.5
215.17957	17.4
217.15897	20.4
219.17442	17.0
221.18930	2.1
223.14874	1.9
225.16417	8.2
227.17990	11.9
229.15889	2.6
229.19530	8.1
231.17438	15.2
233.15472	2.4
233.19113	5.1
235.16962	5.2
237.16399	20.9
239.17955	22.7
241.19568	9.1
243.21126	4.1
247.16847	5.2
249.18596	10.0
251.17996	6.0
253.19614	12.6
255.21132	4.2
257.19022	10.4
259.16943	4.2
259.20605	9.8
261.18576	8.2
265.19647	4.3
267.21042	3.7
271.20581	12.6
273.18503	3.7
275.19843	2.9
277.19720	2.6
279.21252	5.0
281.22650	2.7
285.18451	16.7
293.22739	3.0
295.24310	2.5
299.20084	9.5
301.21521	2.5
313.21622	2.5
333.25903	3.2
349.28864	4.9
377.32367	4.4
389.32101	15.4
395.29623	8.6
407.33124	87.0
408.33240	2.4
409.34656	3.2
423.32593	6.3
435.32718	38.7
453.17041	4.1
453.23691	3.7
453.33713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82426	1.2
52.79726	1.3
53.03932	4.1
55.05516	12.5
57.07059	2.6
62.82593	1.4
65.03898	1.9
66.57642	1.2
67.05505	18.8
69.03434	8.9
69.07075	14.5
69.86267	5.0
69.86703	2.0
78.55311	1.4
79.05490	20.8
81.06599	1.7
81.07057	28.7
83.04971	3.1
83.08593	3.9
85.02872	4.1
91.05480	32.1
93.07047	36.4
95.04944	5.0
95.08610	34.1
97.02884	5.7
97.06493	1.8
103.05468	2.3
104.26979	1.2
105.07034	75.0
107.04932	2.1
107.07903	2.4
107.08595	40.5
109.02843	5.1
109.06514	6.6
109.10162	18.0
111.04369	1.8
111.08070	1.7
115.03944	7.7
115.05425	3.7
117.06245	1.6
117.07011	15.0
119.04945	2.0
119.08582	85.7
121.06471	6.1
121.10145	18.8
123.08018	3.4
123.11670	3.9
128.06244	9.8
129.07013	13.3
130.07742	3.7
131.08575	40.9
133.06525	6.8
133.10133	44.1
135.04410	1.5
135.08037	8.2
135.11700	9.9
137.05939	4.8
137.09592	2.3
139.07457	1.9
141.06935	6.8
142.07780	16.2
143.08563	47.1
144.09268	4.4
145.06470	1.9
145.10115	47.6
146.10936	1.5
147.08035	8.1
147.11688	24.1
149.09589	3.9
149.13187	4.8
151.07521	3.0
154.07770	3.2
155.07117	2.9
155.08516	14.3
156.09348	11.4
157.06470	1.5
157.10130	52.2
158.10820	3.3
159.08008	5.3
159.11696	38.4
161.09619	11.1
161.13252	64.3
163.07507	2.7
163.11110	3.5
163.14828	2.1
165.06934	1.8
165.08942	1.4
167.08496	5.2
168.09317	4.7
169.10118	18.3
170.10901	8.6
171.07968	2.9
171.11693	34.0
172.12291	1.9
173.09564	5.6
173.13271	22.9
175.11089	5.9
175.14821	36.0
177.09067	6.8
177.12688	2.0
177.16353	2.8
179.08487	3.0
180.09293	1.8
181.10063	11.0
181.11549	1.7
181.12257	1.4
182.10901	6.4
183.11681	28.8
184.12476	4.3
185.09688	3.4
185.13263	43.1
187.11227	8.1
187.14828	36.3
189.09096	3.4
189.12695	6.2
189.16379	2.9
191.10686	2.0
193.10072	4.5
194.10895	2.5
195.11681	9.8
196.12361	2.9
197.13277	15.0
198.13997	2.4
199.11110	4.2
199.12978	1.9
199.14832	31.3
201.12787	6.9
201.16391	13.9
203.10652	1.9
203.14264	5.7
203.17984	2.8
205.12238	4.1
207.11635	4.5
207.13612	1.8
208.12479	1.7
209.13243	8.0
211.14818	15.8
212.15285	1.6
213.12737	2.0
213.16373	11.2
215.14249	3.8
215.18018	3.0
215.20070	1.5
217.12155	4.0
217.15823	2.1
219.11597	3.0
219.13628	2.9
220.12479	2.1
221.13165	4.8
222.13988	2.2
223.14838	6.9
224.15520	1.6
225.16330	8.8
227.14270	4.6
227.17966	7.7
229.15952	3.3
229.19461	2.7
231.13760	3.0
233.13277	1.8
235.12979	2.4
235.14966	2.8
236.15413	1.6
237.16383	7.6
239.17949	9.0
241.19398	4.2
243.13760	1.6
245.15492	2.0
247.14839	2.7
249.16342	4.0
251.17984	21.1
253.19553	11.0
255.21124	9.0
257.15356	1.7
259.14682	2.7
261.16333	1.9
263.17850	1.5
265.19312	3.7
267.21127	9.8
275.17804	2.7
277.19363	6.0
283.16812	1.8
291.20883	3.5
293.22461	1.7
305.22589	2.3
307.24078	1.6
315.21097	2.1
317.22482	3.1
319.24100	3.6
343.23935	2.1
345.25845	2.8
347.23785	1.6
369.25623	2.4
371.27322	2.4
381.25674	2.1
387.26782	12.3
389.28613	1.9
399.26889	12.3
405.27899	19.1
417.22372	1.6
417.27725	21.1
423.28723	2.5
435.28503	21.1
453.29733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01882	3.5
55.05504	7.3
56.96569	3.1
57.03454	3.1
57.07075	3.1
59.04992	2.3
60.04518	6.4
62.93195	1.7
67.05492	10.3
69.03431	11.2
69.07085	9.5
69.38422	12.9
70.06596	38.5
71.04996	28.1
71.06923	6.1
72.08170	8.7
73.06557	4.8
74.87376	1.7
79.05509	10.3
80.86315	1.8
81.03420	3.2
81.07057	26.6
81.49249	1.6
83.04980	7.5
83.08627	6.3
84.08162	2.0
85.02919	18.0
85.06561	12.6
86.09680	2.2
87.04467	3.6
87.05616	3.2
88.04031	2.1
91.05474	15.3
93.07050	33.1
95.04979	19.9
95.08619	17.3
96.05301	2.6
97.02887	8.4
97.06527	5.4
97.10165	5.6
98.21508	3.7
98.97581	3.6
99.04482	1.7
99.08102	5.5
105.07036	28.9
107.04952	3.5
107.08598	30.4
108.08949	2.6
109.02853	3.4
109.06532	3.2
109.10149	28.1
110.10481	2.3
111.08111	3.4
116.98669	2.1
117.07035	3.2
118.06547	5.2
119.04942	7.2
119.08584	16.5
120.08124	2.4
121.10150	67.3
122.06001	2.1
123.04433	3.2
123.08057	4.2
123.11741	11.4
125.07159	2.3
125.09636	38.6
127.03926	5.1
127.07620	2.2
127.08614	2.6
127.11195	15.0
129.07123	1.7
131.08601	7.4
133.06224	2.3
133.10139	78.4
134.06012	2.9
135.08067	3.0
135.11694	11.4
136.07591	6.4
137.09613	4.1
137.13235	2.0
139.11192	2.5
141.12689	2.4
143.10683	100.0
144.11134	3.0
145.04938	4.1
145.10139	10.9
146.06020	13.7
147.04417	10.3
147.06346	4.3
147.11705	16.3
149.09554	2.9
149.13277	12.1
151.11182	21.3
152.05678	9.3
152.11537	4.3
153.12677	4.2
157.09781	7.6
159.11711	15.6
161.13277	8.3
162.05527	3.5
163.03925	4.2
163.11194	2.8
164.07149	2.6
165.05460	3.8
169.06511	3.5
173.13242	2.2
174.05502	2.7
177.05519	2.6
177.16484	2.1
179.05319	1.9
182.08238	1.7
185.09364	2.8
189.16379	29.2
191.17928	2.3
193.15874	2.7
194.37711	1.7
197.90709	1.8
200.04761	2.4
201.16391	11.4
201.50002	2.0
206.04419	2.1
207.17421	11.8
207.61360	1.9
215.07024	5.8
216.07352	3.2
217.07581	2.2
217.13458	3.5
219.17462	37.8
220.17783	9.2
225.18422	3.5
237.18532	48.3
238.18918	12.5
243.11397	2.5
245.10590	2.0
245.12912	6.9
246.13399	2.9
249.02766	3.1
255.19606	28.5
259.09866	2.9
260.09940	3.3
261.10175	5.2
273.12524	6.4
273.20648	9.6
286.10880	3.3
291.03058	14.8
291.12985	2.1
291.21860	3.0
409.18158	2.3
426.84579	1.9
453.07901	16.0
453.13757	3.7
453.20929	17.8
471.25613	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89392	3.7
55.05508	6.0
60.04514	8.8
64.12855	3.5
65.66346	3.8
67.05506	9.4
68.10854	3.2
69.03425	7.6
69.07071	12.0
70.06596	45.9
70.32972	9.1
71.04993	30.0
72.24950	3.4
74.06087	4.1
79.05495	9.6
81.07054	24.5
83.04978	6.1
83.08642	7.2
85.02934	7.8
85.06577	7.8
86.09718	10.5
91.05489	14.8
93.07042	35.2
95.04984	18.6
95.08604	17.2
97.06515	6.2
97.10146	5.9
99.08087	5.8
105.07041	34.9
107.08614	34.7
109.10164	23.0
118.06561	6.2
119.08566	16.5
121.10156	83.7
121.11026	4.7
123.11696	5.0
125.09634	41.7
127.03948	4.9
127.11200	15.8
131.08585	5.1
133.10130	86.5
135.11700	13.6
136.07576	13.8
137.09636	4.7
141.12756	10.6
143.10670	100.0
145.10126	10.6
146.06023	15.5
147.11684	18.0
149.13229	9.2
151.11169	14.3
157.09789	9.9
159.11710	18.8
161.13289	4.5
165.05493	4.5
189.16383	32.0
192.68034	4.0
201.16406	15.8
207.17474	16.4
219.17439	53.1
225.07784	6.2
225.18471	5.0
237.18535	38.0
255.19513	32.9
273.20648	16.2
281.06854	9.6
283.06860	4.7
307.38715	3.8
409.18985	5.5
421.13892	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	453.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57663	0.6
56.96576	3.2
57.03412	0.8
57.16088	0.6
58.99887	0.5
61.02919	1.1
63.09231	0.5
69.03427	1.7
73.02903	0.9
81.03419	1.1
82.99855	1.2
83.69869	0.5
84.08163	0.7
85.02900	3.6
91.05486	4.4
92.05754	0.7
94.99834	0.9
95.04948	0.9
97.01392	0.7
97.02888	1.6
98.97583	2.1
99.02985	0.7
99.04422	0.7
101.00873	5.4
103.02421	0.8
103.73038	0.6
105.40883	0.5
107.04993	0.7
109.02882	0.6
109.70423	0.5
111.02839	0.6
113.00874	3.1
115.02441	4.4
116.98634	0.8
117.04015	4.2
118.04086	0.6
119.01936	8.0
119.04949	6.0
127.02419	2.1
127.03930	1.2
128.98631	0.9
129.00287	0.5
131.01906	8.7
133.03490	6.3
135.05081	3.8
137.00877	1.8
141.03917	1.3
142.86444	0.5
143.00150	1.2
143.01901	9.5
145.03508	8.8
145.04799	1.0
147.01358	1.2
147.04329	5.6
149.02963	1.0
151.04637	0.6
151.98964	0.5
153.04002	0.9
154.66139	0.6
155.01898	16.4
155.05513	0.8
156.02693	2.2
157.03490	5.5
159.05037	17.3
160.06598	3.8
161.02986	9.7
161.06604	1.1
162.03156	0.7
163.02698	0.8
163.04456	2.3
165.05478	0.8
167.02029	1.0
169.03488	1.3
171.05034	23.4
173.02975	14.4
173.06612	4.5
175.00688	0.7
175.04022	3.2
177.06129	5.8
179.07082	1.1
181.03514	0.8
183.05045	2.7
185.01324	0.7
185.02985	2.8
185.06607	2.7
187.02882	0.8
187.04567	2.4
189.00798	0.9
189.02527	0.7
189.06104	14.9
191.02072	0.7
191.07678	1.6
193.04996	0.9
195.05057	1.2
197.02951	1.0
199.04562	1.4
201.00633	0.7
201.06088	8.3
203.02307	1.3
203.04013	10.3
203.05797	1.1
203.07646	2.7
205.05563	1.7
207.01538	0.6
207.06563	5.0
213.00787	0.8
213.06075	6.5
215.04097	1.0
215.07681	0.9
217.09216	1.2
219.01796	0.9
219.07111	4.4
219.52946	0.6
221.05075	27.1
222.05359	1.1
223.06627	1.7
225.07666	3.7
229.09344	1.1
231.01787	1.1
231.07143	1.6
237.00771	1.1
239.04100	0.9
243.07161	4.0
245.05139	2.5
250.09985	1.1
251.10451	1.0
255.01790	4.4
259.06653	2.2
261.08212	40.7
265.07745	1.9
273.02774	4.2
275.06274	0.9
277.07849	1.1
279.09271	59.5
281.05042	0.8
299.06094	1.2
302.10992	1.1
305.10779	2.0
319.08890	1.1
319.12311	6.3
321.10245	2.1
333.10367	2.5
345.10300	2.8
357.10248	1.7
375.04044	0.9
375.11374	2.7
393.12430	100.0
394.12601	1.5
411.06073	2.5
429.07336	1.4
453.05481	1.4
453.13983	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	452.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.0
55.05514	19.9
56.96576	2.7
57.03436	5.8
57.07047	4.5
59.04989	5.6
67.05512	17.8
69.03420	7.1
69.07069	17.5
70.06572	3.0
71.04991	17.6
71.09818	5.6
79.05494	20.7
80.05824	3.4
81.03428	11.8
81.07059	40.0
83.04986	23.1
83.08623	6.6
85.02909	14.0
85.06548	5.5
87.04473	3.8
91.05478	18.4
93.07049	32.5
95.04973	8.2
95.08607	39.9
97.02897	4.8
97.06533	64.0
97.10182	4.2
98.06873	19.8
98.97575	2.7
99.08095	5.6
105.07032	41.6
107.08607	32.3
109.06513	5.2
109.10140	17.0
111.04410	3.1
111.08067	5.9
113.06066	3.2
113.09702	3.4
115.05492	3.5
117.07028	3.4
119.08593	21.4
121.10142	43.1
123.08076	14.6
123.11728	7.9
124.29516	2.6
125.09627	9.8
127.03930	3.8
129.06987	4.7
131.08583	17.2
133.09114	4.4
133.10133	67.2
134.98235	3.5
135.04445	4.2
135.11714	17.0
137.09628	4.4
137.13239	4.1
139.11147	7.4
140.31271	2.4
141.09087	12.7
143.08556	3.5
143.10660	25.5
145.02890	3.9
145.10139	14.0
147.04411	7.4
147.11707	19.7
148.04726	7.5
149.04924	2.7
149.13264	18.9
151.11156	7.9
153.12758	7.9
157.10184	4.2
157.91089	2.8
159.04471	4.5
159.08173	3.2
159.10181	47.2
159.11679	16.7
161.02382	10.8
161.13245	7.7
161.31175	2.5
162.02684	6.8
163.03917	24.9
163.11172	3.7
163.14790	3.1
164.04276	17.8
167.14320	24.2
169.06491	2.6
173.02386	14.6
173.05846	2.7
173.13261	3.5
174.02707	10.0
175.04027	2.6
175.11127	3.9
176.04236	3.2
177.12804	2.8
179.14285	4.8
187.07558	2.7
188.07870	2.7
189.05521	4.7
190.05804	3.2
191.17972	3.7
193.12190	6.1
193.15953	2.6
196.08496	4.0
197.06079	3.6
198.06334	7.6
201.16379	25.4
211.13261	14.2
215.07063	44.4
216.07358	46.6
219.17426	50.9
237.18506	87.4
242.08995	4.5
255.19673	7.9
259.09714	43.4
260.10007	100.0
260.12747	5.6
261.10181	2.7
273.99060	2.4
277.10779	3.9
287.05560	7.3
288.05829	16.6
289.05923	16.4
290.06290	24.6
340.18304	5.2
349.10617	6.0
402.13867	6.8
435.15152	3.7
452.17719	4.4
452.25296	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	451.3208
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03949	2.7
55.01877	1.7
55.05508	12.0
57.03439	1.7
57.07072	2.6
65.03938	2.8
66.18604	1.2
67.05179	2.1
67.05509	26.8
69.07070	10.1
71.04994	3.9
71.46046	1.3
71.56087	1.2
71.56493	1.7
79.05501	20.5
81.03423	1.8
81.07059	44.5
83.04987	12.0
83.08624	4.8
91.05482	28.8
93.07046	39.2
94.21574	1.2
95.04991	5.2
95.08609	51.1
95.88977	1.3
97.06525	4.8
99.04494	2.4
103.05447	1.3
105.07035	45.7
107.08599	42.4
109.06517	8.1
109.10159	32.8
111.08108	3.6
113.09638	1.6
115.05466	2.1
116.12843	1.3
117.07021	15.9
119.08585	39.8
121.06524	3.3
121.10156	25.1
123.08033	6.5
123.11678	10.2
125.09670	2.5
128.06226	4.6
129.07008	10.7
130.07799	4.2
131.08578	29.3
133.06551	2.2
133.10132	28.7
135.08093	5.7
135.11694	11.7
137.09616	2.9
141.07025	3.1
142.07793	7.5
143.08565	22.5
144.09334	2.9
145.06416	1.4
145.10132	44.3
147.08070	5.7
147.11700	20.0
149.09673	4.6
149.13309	7.2
149.14407	1.2
151.07570	2.8
151.14833	1.5
154.07825	1.7
155.08572	11.0
156.09352	4.0
157.10130	28.7
158.10925	2.1
159.08058	4.9
159.11700	30.9
161.09648	6.0
161.13281	13.7
163.11150	2.0
163.14862	5.3
165.07063	2.5
165.09126	3.8
167.07278	1.5
167.08627	4.1
169.10094	11.1
170.10965	2.6
171.08113	2.1
171.11693	22.3
173.09703	4.3
173.13254	20.0
175.11229	4.0
175.14885	5.7
177.09099	2.2
177.16475	2.6
179.08539	3.0
179.10715	2.4
180.09332	1.5
181.10120	7.3
182.10992	1.6
183.11719	14.1
185.09688	4.1
185.13274	14.4
187.11259	4.7
187.14818	12.1
189.12732	3.6
189.16451	5.0
191.10745	3.2
193.10175	4.2
193.12245	1.4
193.16013	1.5
194.10985	1.8
195.11758	7.3
197.09657	1.9
197.13283	10.4
199.11282	4.4
199.14796	14.4
201.12790	6.0
201.16368	19.0
203.14384	2.6
203.17979	5.5
205.12274	4.1
205.16064	2.5
207.11790	3.7
207.13794	2.6
207.17400	2.1
209.09648	1.5
209.13303	6.4
211.11281	2.9
211.14809	7.6
213.12805	4.8
213.16364	6.6
215.07053	1.6
215.10806	2.1
215.14449	2.7
215.17993	9.6
217.12384	4.7
217.15872	4.1
219.11890	1.7
219.13878	5.4
221.13339	3.0
221.15424	3.0
223.14813	6.6
225.12874	3.3
225.16431	3.1
227.14424	2.9
227.17982	2.6
229.12413	2.1
229.15910	2.0
229.19658	1.6
231.13905	7.0
231.17502	1.9
233.13385	2.3
233.15413	4.4
235.14880	2.8
237.12808	1.8
237.16435	2.4
239.14398	2.0
239.18047	2.2
241.12358	1.6
243.13924	3.9
243.21144	1.7
245.15417	6.0
247.14793	3.0
247.17093	2.5
249.12769	1.9
249.16528	2.4
251.18018	2.3
253.15915	2.3
257.15469	3.7
259.09732	3.9
263.18027	2.6
265.19693	3.7
269.15497	2.2
271.17087	3.9
279.17651	2.0
279.20920	1.6
283.17221	1.7
291.21252	2.1
307.20474	3.1
309.22122	2.0
323.20139	3.3
325.21661	8.9
327.23312	4.9
335.20575	2.5
337.21466	1.7
347.23605	1.8
350.15076	1.4
351.23346	3.0
353.24875	4.5
365.24957	5.1
381.24683	1.7
391.25378	2.1
405.31659	3.7
415.29974	5.6
428.10477	1.4
433.31146	29.9
451.32205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3205
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03947	3.2
55.05513	23.5
57.03431	2.2
57.07076	5.2
63.78494	1.8
65.03939	3.7
67.05508	31.1
69.03419	1.5
69.07076	14.2
69.60956	1.8
70.08084	4.2
70.08472	3.5
71.05002	1.8
79.05497	28.2
80.70081	1.6
81.07058	53.3
83.04976	4.6
83.08625	8.1
83.87180	1.8
91.05478	31.9
93.07049	40.7
95.04977	9.9
95.08611	48.6
97.06525	10.1
97.10156	4.9
97.92467	1.7
99.08094	6.7
103.05464	2.3
105.07035	54.1
107.08596	60.7
109.06524	5.3
109.10157	28.4
111.08094	2.3
115.05521	2.0
117.07025	12.6
119.08591	79.6
121.10149	30.1
123.08114	6.2
123.11692	9.3
125.06021	2.0
125.09664	4.2
128.06271	3.7
129.07007	9.6
130.07791	3.7
131.08572	37.2
133.10139	31.3
135.11671	19.2
141.07034	5.6
142.07820	7.8
143.08559	25.4
144.09348	4.8
145.10130	61.3
147.11707	30.2
149.09660	3.6
149.13258	11.0
151.07675	3.0
151.11156	1.8
153.09132	2.7
155.08554	10.4
156.09357	6.7
157.10139	32.8
158.10957	2.2
159.08105	2.0
159.11693	42.3
161.13277	23.3
163.03941	5.8
163.07594	5.3
163.11266	3.0
163.14818	5.1
165.09222	1.8
167.08647	2.6
168.09352	2.5
169.10147	17.6
170.10910	5.0
171.03207	1.8
171.11700	27.8
172.12560	1.8
173.09639	3.4
173.13254	31.1
175.11243	1.8
175.14839	23.7
177.16454	3.3
179.10709	2.4
179.14233	2.7
181.10179	5.8
181.12184	2.6
182.10902	4.0
183.11742	16.7
184.12473	3.4
185.13257	23.5
187.14821	36.2
189.09126	1.7
189.16417	13.8
191.14323	2.2
193.10162	4.1
193.12354	1.8
195.11646	12.4
197.13255	17.6
198.14024	2.7
199.14819	32.5
201.16382	32.9
203.14362	2.8
203.18060	3.6
205.15924	5.0
207.11734	6.9
207.13626	2.0
209.13321	11.0
210.14063	2.3
211.14777	13.7
211.66096	1.6
213.16382	24.9
215.07065	2.7
215.14456	5.3
215.17947	5.6
217.15894	13.0
219.13857	5.8
219.17426	3.6
221.13402	3.5
223.14905	10.8
225.16389	15.1
227.17941	8.5
229.15889	6.8
231.17543	6.6
233.13275	2.6
233.15488	6.0
235.14850	5.4
237.16423	8.7
239.18004	9.4
241.19524	8.3
245.15529	3.9
245.19093	2.5
247.17136	3.7
249.16447	1.9
251.18030	5.3
253.19504	8.5
257.15445	2.5
259.09711	8.5
259.16959	2.7
263.18100	4.9
265.19525	7.1
267.21069	2.5
277.19516	5.0
279.21115	6.1
281.22717	6.5
283.17133	2.3
283.20670	4.7
285.18524	2.2
289.19662	2.8
291.21188	6.0
297.18561	2.5
299.23785	4.1
305.22729	2.0
307.24380	2.1
309.22131	2.6
309.25720	1.9
317.22656	4.9
319.50531	2.1
323.20041	3.0
323.23788	2.3
325.21640	4.6
331.24658	2.0
333.25854	3.8
339.23434	2.0
347.27286	2.6
351.23309	2.7
353.24902	5.5
355.26041	2.7
387.30463	22.2
393.28030	4.3
405.31567	73.8
407.33157	2.5
415.29895	2.9
421.31073	4.2
433.25165	2.9
433.31012	50.3
451.27380	5.3
451.32169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01862	0.9
55.05511	1.6
57.03425	2.4
61.02915	2.2
67.05492	1.8
68.99787	1.6
69.03436	7.2
69.07058	2.2
69.40576	2.8
69.41000	2.1
70.03741	1.2
70.06598	0.8
71.05002	0.8
73.02898	0.7
75.03321	0.7
79.05498	3.5
81.03405	2.2
81.07040	2.2
83.04991	1.2
85.02914	16.8
86.03245	3.1
87.03322	2.0
91.03981	0.7
91.05473	4.8
93.07036	2.8
95.04987	1.6
95.08582	1.7
97.02899	7.1
97.06533	11.0
98.03204	1.0
98.09697	7.2
99.10023	2.0
103.05446	0.7
105.07029	4.3
107.04949	1.4
107.08589	2.7
109.02895	1.7
109.10152	0.8
111.00814	0.8
111.04437	1.2
115.03938	2.5
115.05434	2.6
117.06979	1.0
119.04945	4.6
119.08567	3.7
120.05281	1.9
120.08845	0.6
121.02892	3.0
121.06521	0.8
121.10160	1.0
122.03195	1.3
127.03883	1.7
128.04259	1.0
128.06192	1.0
129.06987	2.3
131.08566	4.2
133.02855	1.3
133.06506	1.0
133.10114	2.3
135.04459	1.2
135.08049	1.2
135.11697	0.8
137.02332	0.9
140.14317	2.6
141.06995	1.7
141.14685	1.5
142.07811	1.6
143.04919	4.2
143.08557	2.9
144.09421	0.7
145.02769	0.7
145.04904	1.6
145.06445	0.8
145.10121	4.0
147.04419	18.1
147.05466	0.7
147.08073	1.3
147.11728	0.8
148.04749	9.9
151.92351	0.6
153.01807	4.0
153.07022	1.7
153.90472	0.6
154.02122	2.5
154.07761	1.0
155.02335	1.7
155.08514	2.6
156.09369	2.1
157.06479	1.1
157.10187	3.4
158.15353	3.0
159.04420	2.5
159.08052	2.7
159.11711	4.7
159.15736	2.1
160.05215	0.7
161.02348	2.1
161.06015	6.7
161.09627	1.1
163.03891	4.9
165.01859	2.2
165.07074	1.8
166.02182	1.1
167.02393	0.8
167.08517	2.6
168.09346	3.5
169.06461	1.5
169.10117	4.8
171.11690	2.4
173.02357	3.0
173.06003	1.8
173.13268	2.6
175.03828	1.1
175.07468	1.4
176.04688	0.9
177.05473	1.2
179.08609	0.8
180.09399	0.8
181.10155	10.0
182.10936	2.5
183.11702	26.1
185.05986	0.9
185.13268	2.8
187.07533	1.8
187.14857	0.8
189.05476	26.3
189.09096	3.3
195.08051	1.2
195.11676	2.5
197.05968	2.5
197.13228	5.1
199.14774	1.3
207.11667	1.1
209.13257	1.8
213.05525	1.5
213.09200	2.1
214.05746	0.8
215.07051	18.1
215.10469	0.8
215.14244	1.7
217.05005	0.9
220.59827	0.7
221.13240	1.3
223.14818	0.8
231.06609	0.8
231.10178	5.9
241.08621	2.2
259.05637	1.1
259.09668	26.8
287.05505	49.7
288.05841	47.7
289.06058	100.0
290.06342	2.5
339.17654	0.8
385.25339	1.7
397.25400	0.8
403.26251	2.5
415.26578	1.0
433.27298	2.1
450.11362	0.8
451.15778	1.6
451.24258	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	451.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10046	1.1
53.03955	1.1
55.01866	4.0
55.05518	6.2
57.03436	1.9
59.04991	1.8
63.08199	1.1
65.03941	1.4
67.05492	4.8
69.03421	4.8
69.07057	3.6
70.06590	2.0
70.58875	3.6
71.04996	8.7
72.08148	1.6
79.05478	4.4
81.03397	2.5
81.07044	5.2
83.05000	6.9
85.02885	3.8
85.06572	1.5
86.09693	1.9
86.68517	1.1
91.05477	6.3
93.07055	7.6
95.04973	19.7
95.08600	3.8
95.52868	1.1
97.02890	2.5
97.06539	7.8
98.09694	5.5
99.04440	1.9
99.08085	2.7
100.11237	1.8
105.07038	8.5
107.08591	9.0
109.06502	1.7
109.10155	6.0
111.04391	2.4
111.08071	1.6
115.05478	3.2
117.07000	2.3
119.04948	3.3
119.08583	5.5
120.08094	1.4
121.06532	2.4
121.10113	3.9
123.08083	1.2
123.11700	2.1
125.09618	4.2
127.03877	1.6
127.07548	1.5
127.11214	9.0
129.06960	3.8
131.04912	1.6
131.08575	13.9
133.10153	5.9
135.08022	2.3
136.07568	1.2
137.06012	1.8
137.09612	3.0
141.06987	10.1
142.07791	2.2
143.08549	4.1
143.10703	7.2
144.05727	1.6
145.06503	2.8
145.10143	6.9
147.04416	5.1
147.07996	1.4
147.11682	4.6
149.09602	5.0
149.13266	1.9
151.11208	2.4
155.10687	4.4
157.06506	1.5
157.10121	2.8
159.04456	2.7
159.08035	6.2
159.11604	1.6
161.02415	1.4
161.05997	1.7
163.03926	4.9
167.08575	2.1
169.05064	1.5
169.06490	26.4
169.07840	1.6
170.68246	1.3
171.08028	2.1
173.02400	1.8
173.06032	3.9
175.03926	10.1
175.14850	1.3
182.15382	2.7
185.05974	1.9
187.07559	18.1
189.05481	3.0
189.09053	2.3
191.07079	3.8
195.08061	3.3
195.13797	2.4
197.06000	17.6
198.06770	3.5
199.14919	3.4
200.04713	25.3
201.48112	1.2
205.16014	1.3
210.14909	4.8
212.08310	1.7
212.91959	1.1
213.09087	4.5
215.07043	67.8
217.08533	2.1
217.15866	9.5
221.22871	1.4
223.16846	1.3
231.10098	1.5
235.16919	17.5
241.08614	3.5
253.17964	4.5
259.09671	100.0
266.13086	1.3
271.19086	2.5
277.10645	1.5
295.39938	1.2
354.23804	5.3
370.23151	1.3
451.16373	3.0
451.32965	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66031	1.7
55.01885	2.1
55.05493	1.8
57.03439	17.4
61.02925	8.6
67.05500	5.1
69.03435	19.2
69.07063	2.0
70.67079	3.4
70.67403	2.0
71.04993	3.1
72.08145	5.3
73.02918	35.6
79.05482	3.3
79.88217	1.8
81.03400	5.0
81.04553	2.0
81.07040	1.8
82.03712	1.8
83.04950	2.7
85.02910	83.6
86.09733	2.3
91.05476	3.9
93.07085	1.7
93.30428	1.5
93.88413	1.7
95.04971	4.2
97.02892	31.5
97.06527	2.0
98.97597	2.2
99.04444	3.6
103.03935	3.8
107.04964	5.5
107.52190	1.8
108.08111	6.1
109.02888	13.0
111.00835	1.7
115.03933	7.4
119.04925	4.2
119.08576	2.0
120.08112	15.0
122.06012	6.2
125.06034	4.0
125.07116	3.1
126.05495	5.1
126.09124	2.7
127.03923	23.8
131.08537	2.6
133.04930	3.7
135.04385	1.9
136.07602	10.5
140.07076	71.2
143.08147	7.3
145.04961	35.3
147.04419	7.9
148.04745	2.5
149.02298	3.0
150.07600	6.0
150.09097	2.1
152.07095	13.9
153.01831	6.2
154.08635	3.8
159.04369	2.3
161.05983	2.6
163.03857	5.7
163.06036	31.5
164.07086	17.1
169.06465	1.7
177.05467	2.0
178.08580	14.5
181.10040	2.2
182.08141	100.0
187.07617	2.5
189.05499	3.5
189.09135	4.6
189.12186	2.3
191.07094	2.3
195.08014	2.6
206.08134	49.0
213.09103	3.0
215.06963	13.2
218.08134	4.3
236.09171	4.4
243.06552	1.7
243.62015	2.0
248.09181	13.2
259.09738	12.3
263.10349	2.5
266.10223	6.1
271.14301	2.4
284.11279	15.3
287.05389	4.1
288.05750	4.6
289.06171	10.1
289.15616	3.5
302.12350	46.6
451.07007	8.6
451.16663	8.7
451.21497	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	451.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80851	0.5
53.03936	0.7
55.01860	1.2
55.05505	1.1
57.03412	1.0
64.00499	0.6
67.05492	1.3
68.95697	0.5
69.07068	7.2
69.38011	4.6
69.38406	1.3
79.05496	7.0
89.03914	2.0
95.04963	0.6
96.59583	0.5
97.06532	61.0
111.04450	0.9
117.03370	2.2
119.08576	0.6
127.03844	0.6
133.02895	0.8
134.58739	0.6
135.04411	4.4
145.02837	3.6
147.04373	0.6
159.04465	3.7
161.02344	14.4
163.03908	28.4
173.02347	21.9
178.27461	0.6
184.05992	0.5
185.06010	0.9
187.07489	0.7
191.03418	1.1
210.03787	0.6
215.07033	32.7
241.77324	0.5
253.14417	0.8
259.09662	100.0
260.09967	1.1
380.46735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61285	0.6
55.01868	1.8
55.05516	0.6
57.03416	0.7
67.05490	1.4
69.03428	1.0
69.07073	6.3
70.08443	0.7
70.13720	0.6
70.14056	2.8
71.54890	0.6
76.61455	0.6
79.05492	7.1
79.90063	0.6
84.11937	0.5
89.03893	1.6
97.06533	59.2
98.20878	0.8
102.57012	0.8
117.03384	1.8
133.02826	1.0
135.04391	4.0
145.02820	3.4
145.66428	0.6
146.15866	0.7
158.05174	0.7
159.04405	3.0
161.02354	11.3
163.03906	29.7
170.50264	0.8
173.02341	21.0
185.05942	1.1
187.03871	0.6
191.03403	1.4
215.07034	28.9
229.45932	0.7
259.09662	100.0
260.09836	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69925	0.6
53.03937	0.6
55.01868	1.7
57.03424	0.6
65.03993	0.5
67.05495	2.0
69.07072	16.6
70.90216	0.9
70.90540	0.8
79.05505	4.0
81.07078	0.6
83.04993	1.5
89.03933	3.9
91.05475	0.5
95.04969	0.6
96.25356	0.4
97.06537	21.9
107.04948	1.3
117.03391	7.6
133.02892	0.6
134.03639	2.9
135.04424	14.9
145.02853	16.0
161.02344	1.0
162.03194	0.7
163.03915	88.0
164.04234	0.8
188.49055	0.5
191.03387	0.6
198.62686	0.5
217.05017	2.2
241.08554	2.8
257.26703	0.7
259.09671	100.0
260.09995	1.4
433.14868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57454	0.2
53.03945	0.3
55.01867	0.3
56.96556	0.3
57.03420	0.7
60.02039	0.3
61.02916	1.1
61.03200	0.3
69.03423	2.3
70.06590	0.4
70.15392	1.0
71.05000	0.3
73.02916	0.6
81.03410	1.1
84.04504	0.3
84.08139	0.3
85.02905	7.9
87.04494	0.3
91.03945	0.4
91.05470	0.6
97.02887	2.6
98.97594	0.7
99.04445	0.3
109.02871	1.2
110.97549	0.3
116.98589	0.4
119.04912	0.4
127.03916	100.0
128.04314	0.3
145.04953	2.4
147.04417	1.0
163.06090	0.3
175.03915	0.5
187.84940	0.3
189.05435	0.5
207.06548	0.3
208.06837	0.3
237.07346	3.5
289.09161	3.5
305.08511	0.3
319.13687	0.6
384.94742	0.3
427.97849	0.3
451.12759	1.0
451.17883	25.8
452.18033	0.3
456.20087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2486
Annotation	Caerunine
Peak:m/z	Relative Intensity
55.05509	0.7
61.02903	1.1
65.03955	0.4
67.05499	2.9
68.05020	0.4
69.03416	0.7
69.07063	0.6
70.06592	9.5
70.83816	0.9
71.04980	1.0
81.07039	0.8
83.04956	0.5
84.08149	1.1
85.02892	1.7
91.05493	3.6
97.02891	0.4
97.06554	0.7
98.09692	100.0
98.97607	0.7
107.04967	0.4
109.10153	1.1
111.04420	0.6
111.10445	1.2
112.11237	0.5
119.04935	12.5
121.10155	0.5
125.20941	0.4
140.14339	30.9
147.04408	78.8
148.04758	0.5
158.15407	5.3
160.05139	0.7
161.05991	1.5
163.03931	1.2
167.08524	0.6
169.06528	0.6
174.06885	0.4
187.07518	0.5
189.09146	1.4
195.08006	0.7
201.05458	0.6
213.09053	2.1
215.07071	2.1
215.10583	0.6
217.08667	0.7
231.10258	0.7
241.08607	0.9
259.09674	5.6
267.09100	0.8
273.71384	0.4
275.09125	1.7
287.05481	2.9
288.05862	6.1
304.19046	4.1
369.17477	1.2
423.22531	0.4
450.24908	86.2
450.70053	0.4
451.16104	1.3
451.25192	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75500	0.6
56.70457	0.6
60.50807	0.6
69.03422	0.9
71.54174	1.1
76.32664	0.7
77.04990	0.6
85.02905	1.3
85.58748	0.7
127.03948	0.8
161.02127	1.3
161.67532	0.8
185.02725	0.7
245.05052	1.2
319.13583	0.9
391.02948	1.3
396.49933	0.7
451.04773	100.0
451.12445	24.8
451.17792	13.4
452.05240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1238
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.03946	2.5
55.01861	2.6
55.05502	2.4
56.96553	2.4
57.03421	4.4
61.02920	3.8
62.22743	1.4
62.54558	1.1
62.66586	1.3
65.03948	1.3
67.01847	1.4
67.05518	2.6
68.99785	3.1
69.03421	9.9
69.07057	3.5
69.55000	3.3
69.55423	5.5
70.06589	3.1
71.04984	5.4
72.07796	1.3
72.08139	6.4
73.02905	4.3
75.45560	1.3
79.05495	6.2
81.03407	6.0
81.07027	2.3
83.04998	6.7
83.08627	1.4
83.37321	1.3
85.02907	21.0
86.03226	2.1
86.09700	1.9
87.04482	2.9
88.03944	1.2
91.05468	9.2
92.05760	1.5
93.07030	4.0
95.04964	6.3
95.08598	1.8
97.02888	9.8
97.06533	3.0
98.97581	2.5
99.04412	1.3
103.05447	2.4
105.07011	1.5
105.33186	1.4
107.04959	59.3
107.08603	2.8
109.02882	4.2
109.06517	2.5
109.10167	3.1
111.04411	5.2
113.05971	2.2
115.03924	2.3
116.98528	1.2
117.07024	1.8
118.08606	2.0
119.04936	8.1
119.08540	4.0
120.05267	2.9
120.08108	18.3
121.02888	9.3
121.06474	1.8
121.10142	3.5
123.04434	2.5
124.99965	1.5
127.03922	7.4
127.11191	2.3
129.03383	2.3
131.08588	3.4
133.04922	2.4
133.06476	1.8
133.10130	1.3
135.04424	5.3
137.05984	3.0
139.03920	3.5
140.07042	2.9
141.07010	3.0
143.08186	4.1
145.02872	3.0
145.04918	4.4
146.43776	1.6
147.04419	10.6
147.08014	2.1
148.04735	7.1
149.02347	77.0
149.05972	1.5
149.13219	2.1
152.07103	1.5
153.01834	100.0
153.06898	1.6
157.10114	2.3
159.04433	1.5
159.07941	2.6
159.11624	1.6
161.05980	5.1
163.03899	4.1
163.06009	2.7
163.07507	1.5
165.05469	2.1
167.03383	8.7
167.10667	1.8
167.14282	1.9
169.06441	8.0
173.02362	1.7
173.05968	1.5
174.19751	1.3
175.03874	3.7
177.05493	3.1
177.07011	1.6
179.06941	2.4
182.08116	6.2
183.11711	2.1
184.07367	2.5
187.07523	4.0
189.05470	16.1
189.09123	1.6
189.12347	3.8
190.05785	2.4
191.06995	3.5
191.14441	1.4
193.05069	1.3
193.06839	1.4
195.02875	13.9
197.06032	8.9
206.08072	3.7
207.06462	3.1
208.06850	2.1
213.09108	1.6
215.07039	89.0
217.08557	1.8
217.15749	2.3
231.02898	1.4
231.10126	1.9
231.14972	1.4
235.16925	4.4
237.02751	1.5
241.08716	2.9
242.05620	1.5
243.06526	64.0
249.09990	1.5
252.09880	1.5
253.07588	1.7
253.10559	4.3
253.17934	2.0
258.05872	1.5
259.09683	13.2
263.10214	6.1
271.06052	29.8
271.11588	3.9
285.07581	1.3
287.05542	1.8
288.05878	2.8
289.07089	88.7
302.12677	1.5
331.08038	1.8
415.15860	3.3
451.16187	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	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60806	1.6
53.03949	1.9
55.01872	2.7
57.03442	29.1
57.95774	1.8
59.04989	4.2
60.04536	3.1
61.02925	4.8
67.05505	3.5
69.03431	100.0
71.01365	2.4
71.04993	3.3
71.19725	1.7
71.55210	2.4
72.08152	3.4
73.02906	11.2
75.04475	3.0
79.05494	4.0
81.03416	9.8
83.04958	1.8
84.08131	2.0
85.02905	89.5
85.70091	1.7
87.04471	57.4
89.03918	3.3
89.06013	2.8
91.05482	11.1
93.07014	3.3
95.04956	3.9
95.08614	3.0
97.02892	74.0
98.97570	4.4
99.04434	4.1
103.05466	3.5
107.04958	4.0
109.02885	5.0
115.03931	91.1
116.98611	2.2
117.03397	2.2
117.07027	5.4
118.06490	3.3
119.04955	5.5
120.08067	4.3
121.02828	3.2
121.06502	42.7
123.04435	2.2
124.07613	3.9
127.03908	16.8
128.06245	2.1
131.08627	2.3
133.04965	93.0
135.04453	3.9
135.08060	3.3
139.03905	4.5
145.02777	1.8
145.04967	17.5
145.06490	37.4
147.04442	9.1
147.06487	2.2
149.05975	1.8
149.08038	2.1
150.07620	17.1
157.06494	2.4
159.08040	4.2
161.06026	3.7
163.03926	15.7
163.06030	5.5
163.07529	20.5
164.07094	5.5
166.08701	2.9
169.04958	2.3
171.08025	2.5
175.03911	2.2
175.07480	11.2
177.00705	1.9
179.07031	2.8
181.08588	4.0
187.07513	17.0
189.05455	7.8
193.04929	2.3
199.07607	2.2
205.06923	2.9
205.08565	12.2
207.06577	5.3
217.08618	19.7
229.08604	4.6
235.09669	9.6
241.07028	4.7
247.09683	5.5
259.08209	6.0
265.10733	6.3
277.08984	2.3
288.14508	3.1
295.10260	4.8
301.13074	2.3
302.42120	1.9
400.11096	2.4
418.12170	2.3
450.14789	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01869	2.8
57.03432	7.9
61.02926	6.2
65.03922	2.6
67.05494	4.8
69.03427	16.7
69.07032	1.3
69.16953	10.1
69.41754	1.0
70.06586	1.1
71.01353	1.3
71.04980	1.1
72.08112	1.3
73.02895	3.5
79.05487	3.7
81.03413	7.4
81.07046	1.3
84.04503	1.1
85.02908	55.9
86.09683	1.2
87.04482	2.4
89.02390	1.3
91.05482	100.0
93.07043	1.3
95.04973	6.9
97.02889	31.4
98.97565	2.0
99.04453	3.4
101.02399	1.1
103.03877	1.4
105.03375	1.8
105.07030	1.5
107.04987	1.7
107.28251	1.1
109.02873	8.9
109.06572	1.2
111.04462	1.3
115.03912	5.4
117.06953	1.5
119.04126	2.2
119.04951	27.7
120.08128	1.3
121.06487	1.5
123.04459	5.4
124.07571	1.8
127.03917	19.0
129.03343	3.3
131.03378	1.6
133.04929	1.8
133.06490	4.2
135.04362	1.5
137.05942	1.8
140.07112	1.7
141.07391	1.2
143.08577	1.1
145.02928	1.3
145.04958	28.7
147.04414	38.4
147.07951	0.9
149.05968	2.2
149.88953	1.1
155.03406	1.2
156.08966	1.1
156.10188	4.3
157.06555	1.4
161.04410	2.9
161.05984	5.7
163.03917	3.3
163.06012	12.3
164.04256	1.1
165.05463	3.9
171.08095	1.9
173.04495	1.9
175.03908	22.0
177.05434	2.7
179.07010	4.8
189.05479	36.9
193.04979	10.3
207.06520	31.4
212.07858	1.1
217.08607	4.2
225.07581	23.6
235.09659	1.3
253.10757	4.6
257.07999	5.1
258.08472	6.9
288.05798	1.3
288.14285	1.6
318.15527	1.2
365.08734	1.4
382.10959	1.1
388.49396	1.2
450.15036	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
55.05510	1.4
56.96549	1.4
57.03436	5.5
61.02920	1.2
62.06094	4.3
65.03933	2.7
67.05497	1.5
69.03436	11.8
70.06579	2.4
70.50066	1.1
70.50445	2.6
71.04974	1.5
72.08147	1.6
73.02904	2.4
79.05505	6.5
81.03407	3.7
81.07069	0.9
83.04973	1.6
84.04497	1.5
84.08151	0.9
85.02902	14.7
86.09701	3.1
87.04475	5.5
89.05994	1.1
91.05486	34.5
92.59892	0.9
93.07042	1.5
95.04961	2.8
95.08607	0.9
97.02886	10.6
98.21465	1.0
98.97573	2.3
99.04469	1.2
102.05532	1.1
103.05434	1.9
105.03312	0.9
105.07032	2.1
107.04944	2.0
109.02899	1.6
115.03935	9.8
117.06987	2.1
118.04096	1.0
119.04947	53.7
119.08510	1.3
120.08139	4.4
121.02858	2.0
121.05676	1.5
121.06509	27.7
123.04421	1.6
127.03898	4.5
129.03354	3.1
129.10245	1.0
130.04956	1.4
131.08557	1.1
133.02861	2.0
133.04977	9.8
133.06477	2.4
133.10130	1.1
135.04408	2.4
139.03905	1.7
139.07539	5.0
145.02798	1.2
145.04945	3.1
145.06488	2.7
147.04411	100.0
148.04755	1.9
148.06004	1.1
151.07526	4.9
161.05980	3.8
163.03885	3.4
163.06270	1.0
163.07585	4.5
163.44946	1.0
164.07016	1.0
165.05478	16.8
175.03922	19.0
177.05431	2.2
179.07024	23.6
184.07333	2.2
186.49899	1.0
187.07617	4.4
189.05469	57.4
190.08560	1.0
193.04964	3.9
193.12175	1.0
200.04622	1.0
205.08563	4.0
207.06535	32.8
217.08577	2.4
221.04439	7.3
225.07616	1.1
235.05957	8.2
238.09535	1.0
239.05460	2.6
239.56003	1.0
252.10103	2.0
253.04430	1.4
253.07094	25.6
258.08350	1.5
288.05975	1.9
304.05362	1.6
310.08865	0.8
354.10620	1.2
358.09949	1.0
400.11060	2.8
418.12106	3.3
450.19345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3262
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
53.03934	3.2
55.01860	2.5
55.05498	9.5
56.96571	18.4
57.07067	2.4
65.03935	3.3
67.05508	20.2
69.03418	3.2
69.07057	12.9
71.04988	14.3
71.55046	2.5
77.39079	2.5
79.05507	18.3
81.07060	46.1
83.04997	4.1
83.08608	8.9
85.02889	7.3
85.06548	6.5
91.05480	24.9
93.07045	45.9
93.07623	2.3
95.04980	4.4
95.08607	54.2
96.78665	2.5
97.06516	3.4
98.97595	34.2
99.97878	4.5
100.42194	2.3
105.07040	56.2
107.08595	46.9
109.06512	4.3
109.10150	19.7
110.97552	2.2
111.08062	4.0
116.98615	10.7
117.07040	20.0
119.07806	3.8
119.08585	46.8
121.06480	3.4
121.10152	31.1
123.08068	4.0
123.11688	5.4
124.99118	4.6
125.09618	2.6
126.96991	2.0
129.06989	5.8
130.07767	2.7
131.08563	36.0
133.06459	2.9
133.10133	37.7
134.99646	4.1
135.08044	6.9
135.11714	21.9
140.98590	2.7
142.07784	5.2
143.00183	13.3
143.08557	11.1
144.00533	2.8
144.09337	8.8
144.98056	3.2
145.10135	55.3
147.08022	3.0
147.11688	52.8
149.02335	8.5
149.09601	7.0
149.13252	25.7
151.11116	3.6
153.09109	2.3
157.10138	28.4
158.99565	3.0
159.11696	100.0
161.01228	8.8
161.09689	5.7
161.13257	31.4
162.01598	4.1
163.11212	12.1
163.14809	5.5
165.12749	6.5
167.10692	4.4
168.98015	3.2
169.10168	5.5
171.11736	13.7
173.13275	26.1
175.11285	5.8
175.14783	14.2
177.00717	2.6
177.12773	22.8
179.10695	5.6
179.14340	5.0
181.12236	7.1
185.13232	16.9
186.99158	18.0
187.11069	2.7
187.14818	14.9
187.99463	9.2
189.12755	5.3
189.16405	6.1
191.14320	7.2
193.04945	12.1
193.12199	4.8
195.13838	5.5
197.13283	3.4
199.14810	13.3
201.16428	5.6
204.02649	3.3
205.00281	8.5
205.15877	5.7
206.00525	7.7
207.13864	5.5
209.15381	8.9
211.14856	4.3
213.16376	7.8
215.17966	4.3
217.15936	3.5
219.13844	3.2
219.17445	4.3
221.15459	7.1
223.16829	3.2
225.16380	3.2
227.17903	2.6
229.00104	2.7
230.00539	3.5
235.16966	10.1
239.17848	2.9
247.16942	9.4
249.18536	10.3
272.99078	2.6
273.99515	7.2
284.29401	4.8
287.05573	3.3
291.00241	9.1
292.00610	14.2
311.23654	2.5
329.24713	8.1
339.22705	3.9
347.99506	3.4
358.16544	3.2
358.66470	4.0
359.27454	2.7
366.00461	4.1
377.28326	7.2
383.29330	11.3
390.00583	2.8
395.29459	55.3
401.30548	6.5
408.01511	3.7
413.30551	53.8
431.31635	69.3
449.33002	26.3
450.32211	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	449.3264
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
53.03938	3.8
54.56142	1.8
55.05505	11.6
57.03430	2.6
57.07063	2.5
59.60158	1.6
65.03921	2.5
67.05188	2.3
67.05511	27.2
69.03440	3.3
69.07066	13.8
69.44882	6.1
69.45293	7.3
70.45454	1.7
71.04991	15.2
79.05495	22.8
81.07056	44.6
83.05006	4.4
83.08624	9.4
85.02888	5.4
85.06535	4.7
87.60019	1.6
91.05481	27.6
93.07047	49.4
95.04980	4.4
95.08611	59.0
97.06513	6.5
99.08051	1.6
103.57869	1.7
105.07037	54.6
105.86301	1.7
106.92659	1.7
107.08590	53.1
109.06511	5.2
109.10163	22.4
111.08086	6.7
115.23911	2.1
117.07018	15.9
119.08588	52.8
121.06496	4.3
121.10153	35.4
123.08042	6.3
123.11703	5.0
125.09583	2.5
129.07002	7.0
129.09149	3.7
130.07770	2.4
131.08566	32.3
133.06488	2.4
133.10135	42.4
135.08057	5.9
135.11690	25.8
137.09607	2.6
137.71736	1.8
141.09154	2.8
142.07674	3.4
143.08560	13.0
144.09344	7.6
145.09064	3.8
145.10129	53.5
147.08122	4.3
147.11685	57.1
149.09631	7.6
149.13275	24.7
151.11139	4.0
153.09138	4.4
155.08583	4.0
157.10146	26.9
159.11703	100.0
161.09607	6.2
161.13258	32.8
163.11165	11.4
163.14838	3.8
165.09056	2.9
165.12764	9.0
167.10735	5.3
169.08566	2.3
169.10110	2.8
171.11667	12.1
173.09598	3.4
173.13261	29.0
175.11209	9.3
175.14828	13.3
177.12769	20.8
179.10620	3.3
179.14343	2.9
181.12215	8.0
183.10176	2.4
183.11621	4.3
185.13274	20.8
187.11201	2.2
187.14850	16.1
189.12773	4.4
189.16377	5.6
191.14369	9.4
193.12210	4.3
193.15987	3.2
195.11839	2.3
195.13802	5.7
197.13281	4.4
199.14838	14.1
201.16385	6.5
203.14386	5.9
205.15892	4.1
207.13742	3.0
209.15356	7.6
211.14799	5.1
213.16371	5.2
215.14291	4.4
215.17897	2.6
217.15866	3.8
219.17484	3.9
221.15378	8.3
223.16913	4.5
225.16432	2.9
227.18074	2.4
229.15927	2.5
231.17397	2.4
233.15338	5.4
233.18991	2.2
235.16963	7.3
241.19643	2.6
245.15591	2.0
247.16939	7.4
249.18558	9.1
249.20865	1.9
253.19408	2.9
267.21097	2.5
287.05621	12.1
311.22995	1.8
329.24811	5.2
339.23279	2.8
351.25537	2.9
355.26099	2.0
377.28262	7.7
383.29514	11.3
389.50262	1.8
395.29459	54.6
398.82965	1.9
401.30441	6.8
413.30515	55.5
431.31638	68.9
449.33237	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1417
Annotation	TyrMe-Met-OH
Peak:m/z	Relative Intensity
63.55088	0.9
71.54515	1.2
71.54910	1.0
88.22226	0.9
100.92104	0.9
101.00872	1.1
106.21610	0.9
256.62381	1.1
389.13467	2.0
431.10757	1.2
449.04294	8.3
449.14261	100.0
450.14267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
64.61831	7.4
71.55529	16.1
73.83941	7.1
79.05492	10.5
81.03440	12.0
91.05496	44.7
95.04942	8.2
103.05469	22.1
107.04913	8.4
117.03455	7.4
119.04948	57.0
121.06526	19.9
129.06937	10.6
131.04945	14.5
133.06483	10.7
135.04437	10.3
139.03909	12.3
141.07083	8.1
145.02840	29.1
147.04407	92.9
149.05986	33.2
159.04411	31.3
165.05666	14.5
165.07014	33.3
166.07822	12.6
167.08600	35.8
175.03871	22.3
177.05482	33.0
178.07718	18.2
179.07140	11.9
181.10268	9.5
189.05432	24.3
190.07780	11.9
191.07053	12.4
191.08586	31.5
192.09152	9.8
194.07210	13.6
195.08041	24.6
200.93748	7.9
202.07941	9.5
203.03360	14.2
205.04857	39.6
207.06502	27.0
207.08183	9.8
209.09644	15.8
219.08156	46.7
222.06808	10.2
223.07576	31.6
235.07498	13.7
237.09081	24.4
245.06122	8.4
247.07466	45.2
251.07115	24.2
261.05457	9.5
262.49054	8.3
263.07156	10.1
264.07944	8.3
265.08618	38.2
269.07864	9.8
269.12241	12.0
275.06870	42.0
279.06552	13.6
285.05426	8.8
293.08035	46.0
303.06537	29.4
307.09546	17.6
311.09167	11.2
321.07477	48.5
325.10556	10.8
331.05951	16.7
335.09192	21.4
339.08615	12.0
349.07007	41.9
353.10233	29.2
363.08609	27.4
367.08307	19.6
381.09738	100.0
385.09171	8.7
395.11298	21.7
399.10675	20.5
406.36319	8.4
413.12405	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	449.1077
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03939	0.6
55.05509	0.7
57.03439	3.5
58.41579	0.4
61.02919	0.6
68.99796	0.7
69.03419	0.8
69.44486	3.2
71.01344	0.6
71.04994	25.5
72.08153	0.7
72.08815	0.4
73.02908	0.5
75.04485	0.7
79.05501	0.7
79.64588	0.4
81.03410	0.5
81.07077	0.6
83.05004	0.5
85.02908	25.0
87.04458	0.5
91.04029	0.4
91.05477	0.7
93.07030	1.4
95.04965	0.9
97.02888	0.7
98.97578	0.7
107.08588	1.2
109.02895	1.0
109.10090	0.5
111.00813	1.0
111.04430	0.6
121.02878	0.8
127.03927	0.5
129.05487	7.5
129.06964	0.6
133.04979	0.5
136.07596	4.1
137.02361	2.7
147.06573	0.9
149.02335	0.9
152.07040	1.0
153.01854	3.7
155.04991	0.4
158.97368	1.4
163.03922	0.6
164.07059	4.0
165.01852	1.7
183.02835	0.7
201.05362	2.1
216.98010	0.6
229.04977	4.2
234.98946	3.0
247.06020	0.5
257.04410	2.2
257.08261	0.7
274.04617	0.8
285.03864	1.2
287.05466	4.7
287.13791	0.7
290.11545	0.7
303.04996	100.0
304.05341	1.0
315.04987	0.6
317.06790	3.4
319.10629	0.7
327.04861	0.6
345.06131	0.7
413.08707	0.6
433.13983	1.1
449.10132	2.8
449.19858	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.74572	0.3
55.01863	0.4
56.05654	0.3
57.03452	1.7
61.02937	1.7
64.99635	0.4
67.05505	0.4
68.99788	0.7
69.03435	3.4
69.39176	2.6
69.88283	0.4
71.05001	4.1
73.02913	0.5
81.03414	1.8
85.02911	12.3
87.04467	0.8
91.03944	1.1
92.65224	0.4
97.02889	2.9
99.04417	0.5
107.04964	0.7
108.60052	0.3
109.02882	1.3
111.00817	0.5
111.04477	0.3
114.23293	0.3
121.02871	2.5
127.03900	1.6
129.05472	0.5
133.02852	0.6
136.07623	0.5
137.02364	1.2
145.05005	1.5
147.04414	0.8
153.01845	5.2
156.81137	0.4
157.06474	0.5
165.01884	2.0
171.04417	0.5
183.02890	0.7
213.05513	1.2
217.72681	0.4
229.04967	1.0
231.06421	0.5
241.04967	1.1
258.05206	1.2
271.98563	0.4
287.05511	100.0
288.05908	1.2
303.04996	21.7
449.30234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.74894	0.4
57.03425	0.6
61.02650	0.5
61.02932	5.9
63.44644	0.3
68.99795	0.7
69.03417	1.0
69.21146	0.4
69.21745	3.2
70.15485	0.3
73.02908	1.2
85.02908	5.4
90.30634	0.3
91.03952	3.6
97.02881	2.7
102.22464	0.3
109.02866	0.4
111.00832	0.7
121.02870	2.2
127.03937	1.0
133.02870	0.5
137.02361	0.6
145.04962	0.8
152.55902	0.4
153.01826	3.6
157.06453	0.4
165.01839	1.3
171.04445	0.4
183.02863	0.6
185.05913	0.4
213.05414	1.2
241.05086	0.9
258.05237	1.0
259.05948	0.6
287.05505	100.0
288.05908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03936	0.6
55.01862	0.4
57.03425	0.7
57.03679	0.2
61.02932	1.7
68.99785	0.7
69.03100	0.3
69.03433	3.3
70.09371	0.9
71.04997	0.5
71.40674	0.2
73.02906	0.6
79.05473	0.2
81.03036	0.2
81.03423	1.4
83.01321	0.3
85.02912	9.4
87.04490	0.3
91.03941	0.6
97.02893	3.1
98.40868	0.2
99.04445	0.5
105.03394	0.4
107.04951	0.4
109.02877	1.2
111.00819	1.1
121.02872	3.1
127.03926	1.6
129.07054	0.2
133.02847	0.7
135.04459	0.3
137.02350	1.2
141.07053	0.2
145.04959	1.8
145.06534	0.3
147.04396	0.7
153.01836	5.4
157.06487	0.6
165.01817	2.2
171.04436	0.4
178.98912	0.2
183.02898	0.9
185.05984	0.8
189.05518	0.2
213.05495	1.8
231.06583	0.8
241.04994	1.1
252.59369	0.2
258.05270	1.6
259.06003	0.5
287.05508	100.0
288.05865	1.2
390.48096	0.2
446.31247	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30336	0.9
55.05516	4.8
56.63013	0.9
57.07090	5.2
58.07377	1.3
67.05488	3.3
69.07078	5.8
70.07406	1.7
70.51942	1.9
70.52285	1.7
71.08641	4.7
81.07049	2.9
83.08619	4.1
85.10184	1.9
93.07051	1.5
95.08588	1.2
97.10157	4.1
109.10162	4.6
111.11680	2.0
111.61833	0.9
112.12085	0.9
119.08601	2.6
121.06518	11.0
135.07973	1.3
136.08861	12.0
137.09636	13.9
139.07491	1.4
149.02313	2.3
149.09631	1.9
151.07561	2.4
152.08138	1.4
153.09079	1.4
164.08345	34.0
165.09126	100.0
166.09552	2.3
169.08557	1.3
177.09128	1.9
181.08655	1.8
191.10590	1.9
205.12231	8.3
272.67078	1.1
289.67090	1.0
305.37628	1.1
318.99716	1.0
430.38089	86.7
431.38556	1.4
431.60864	1.3
448.38626	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	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03931	0.1
57.03423	0.4
59.47437	0.1
61.02930	6.6
65.03949	0.1
68.99796	0.4
69.03429	1.0
69.04111	0.1
69.28532	1.0
71.04976	0.1
73.02920	1.7
76.62146	0.1
79.05472	0.1
81.03402	0.4
85.02909	5.1
91.03426	0.2
91.03963	3.7
97.02892	2.9
99.04435	0.4
101.02367	0.2
105.03413	0.3
105.28166	0.1
107.04956	0.4
109.02866	0.5
111.00800	0.9
115.03939	0.3
121.02879	2.7
121.64704	0.1
127.03929	0.9
128.62308	0.1
133.02849	0.5
135.04399	0.2
135.43236	0.1
137.02345	0.9
141.06995	0.2
145.04955	0.6
145.06534	0.2
147.04373	0.5
153.01834	4.2
157.06462	0.4
161.05980	0.3
161.72513	0.1
164.07095	0.2
165.01843	1.8
171.04430	0.3
175.03917	0.1
183.02956	0.6
183.08144	0.1
185.05972	0.6
189.05440	0.2
197.05978	0.3
199.03929	0.1
203.06955	0.2
205.12009	0.1
211.07584	0.4
213.05437	1.4
229.08626	0.3
231.06516	1.0
241.04944	0.8
258.05243	1.2
259.05911	0.6
269.04489	0.2
286.04596	0.1
287.05502	100.0
288.05820	1.1
299.05530	0.6
304.91599	0.1
329.06619	0.4
353.06665	0.3
383.07770	0.2
395.07864	0.1
449.11087	0.2
450.24561	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	448.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27006	0.6
55.90481	0.6
56.05033	1.1
69.35207	5.4
76.41840	0.6
78.58861	0.6
83.06113	1.8
85.02918	1.1
91.05473	1.1
95.06101	0.8
105.03369	1.7
105.05819	0.8
106.06550	1.5
111.05581	5.2
118.06520	0.6
119.04930	1.3
120.04478	12.0
123.05581	0.7
126.06645	7.6
127.03882	0.8
130.06577	0.6
132.04449	20.2
134.06001	8.3
137.04695	1.7
140.08218	0.9
144.73805	0.6
147.04459	1.9
151.06139	7.4
154.08644	3.3
158.06049	0.8
159.09117	0.6
167.03488	0.7
168.08824	2.2
175.04012	0.7
175.08720	0.7
185.07039	0.6
202.09758	13.1
207.06509	1.5
216.11395	2.6
216.63567	0.7
225.07469	1.1
230.09270	8.3
231.12505	1.3
232.10873	3.5
242.09207	2.9
247.07368	0.8
255.08746	0.7
257.10291	4.8
259.11911	72.8
268.11853	0.8
277.13000	2.5
284.11334	5.6
301.14056	5.9
302.12494	28.1
319.15060	2.4
362.18243	0.8
399.10587	0.8
406.17212	12.4
430.18341	1.2
439.16693	0.6
448.19403	100.0
449.19788	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
56.96555	2.7
57.07083	5.6
58.06590	1.3
60.77668	0.8
62.82380	0.8
67.05485	1.2
69.07037	1.1
69.73114	1.8
69.73518	2.6
70.06593	12.4
71.08626	1.8
72.26453	0.8
79.05482	1.9
81.07058	3.0
83.08571	1.2
88.07629	18.4
91.05466	3.0
93.07049	2.6
94.07326	0.8
95.08588	1.5
97.06514	1.3
98.97588	5.1
102.09187	11.3
104.02615	1.5
105.07037	1.2
107.08610	1.0
110.10466	1.1
112.25936	0.8
116.98617	1.9
119.04961	1.6
119.08592	1.1
121.02828	0.8
121.10124	2.2
128.83351	0.8
131.08600	0.8
132.02090	6.5
133.10109	1.1
136.01556	5.9
143.00113	1.5
147.04420	22.4
147.05487	0.8
147.11678	1.3
148.05209	1.9
149.13210	1.1
159.11703	0.8
167.20537	0.7
175.03917	39.3
176.04651	1.6
180.04156	7.9
186.13489	0.8
186.99149	2.6
191.07062	1.9
193.04993	1.7
199.11214	0.8
205.00174	1.6
212.23859	0.8
213.61565	0.8
219.06523	63.3
239.10689	1.1
256.26349	44.5
272.99042	1.5
287.05688	1.0
291.00266	2.2
300.77698	0.8
388.09079	0.7
412.29352	1.5
448.30591	100.0
449.30984	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	447.3105
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
55.01851	3.4
55.05509	9.6
57.03439	3.3
67.05502	29.9
67.49277	2.1
69.07069	9.2
69.40110	14.9
69.40523	5.2
69.65346	2.3
71.04995	16.7
74.96420	2.2
76.86653	2.8
79.05493	27.3
81.03412	3.2
81.07055	43.6
83.05025	2.7
83.08618	3.9
85.06547	6.8
87.04528	2.3
91.05487	39.0
93.07042	56.1
93.07636	3.0
95.04990	5.2
95.08608	67.7
97.06532	6.8
97.10183	2.3
98.97608	4.8
100.09451	2.2
105.07029	86.8
107.04991	2.5
107.08590	55.3
109.06541	4.3
109.10176	13.1
111.08083	4.6
115.05444	3.7
117.07024	26.6
119.08575	69.9
121.06509	5.5
121.10146	30.6
123.08094	8.9
123.11707	3.8
125.09638	5.1
128.06233	4.0
129.07021	10.8
130.07784	4.2
131.08571	47.7
133.10114	44.8
135.08063	6.2
135.11671	18.9
137.09671	5.6
142.07794	5.9
143.08582	22.8
144.09337	6.8
145.10123	63.6
147.08078	8.4
147.11699	58.0
147.12820	4.3
149.09608	6.0
149.13254	26.7
151.11229	3.9
153.09103	2.9
155.08572	8.6
156.09410	4.6
157.10112	33.1
157.11285	2.4
159.08116	3.9
159.11690	99.9
161.09610	7.0
161.13263	32.8
163.11186	14.3
163.14821	4.7
165.09077	4.9
165.12836	6.5
167.07129	2.7
169.08734	4.1
169.10138	6.5
171.11661	22.6
173.09644	4.9
173.13249	41.9
175.11227	7.4
175.14880	7.5
177.12772	22.8
179.10707	3.7
181.10132	2.5
181.12361	2.5
183.11710	7.2
184.56044	2.4
185.13264	22.5
187.11259	5.8
187.14847	17.1
189.12782	6.9
189.16383	2.9
191.14360	6.7
193.12233	3.9
195.11703	4.2
195.13712	2.4
197.13318	8.2
199.14865	9.6
201.12811	4.3
201.16444	5.8
203.14282	6.5
205.12297	5.6
205.15860	3.3
207.13855	6.0
209.13280	4.4
211.14894	6.4
213.12772	3.0
213.16454	5.3
215.14429	4.2
217.15952	3.4
219.13866	9.5
221.15474	7.3
225.16478	3.4
227.17987	2.9
229.15855	4.0
231.13940	8.4
233.15384	10.9
235.17064	4.0
239.17900	3.2
245.15416	9.8
247.17053	7.3
263.16486	3.1
327.23242	5.8
335.23621	3.4
353.24680	2.5
365.28467	3.9
375.26746	5.7
381.28076	4.9
383.12866	2.8
383.29391	2.7
393.27859	31.5
399.28699	3.6
401.30759	9.1
411.28992	45.1
429.29971	33.2
446.28329	2.6
447.31195	100.0
449.51242	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3109
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
53.03959	3.0
53.75219	1.8
53.90740	1.9
55.05524	11.1
56.41545	2.0
56.96573	4.2
57.03436	3.0
57.07063	2.5
67.05505	20.0
69.03387	2.3
69.07076	11.2
69.48717	2.0
71.05003	3.8
73.02912	1.9
79.05504	25.1
81.03407	6.3
81.06595	2.6
81.07063	43.3
83.04993	4.8
83.08611	8.2
85.02927	9.9
85.06519	2.7
91.05489	25.4
93.06495	2.4
93.07052	40.5
95.04962	7.3
95.08613	52.4
97.06528	5.3
97.10164	4.0
98.97582	4.4
101.06046	1.8
105.07043	50.0
107.04955	2.3
107.08604	65.5
108.08902	1.8
109.06496	3.6
109.10153	19.5
109.25691	1.9
111.08065	5.8
112.38799	1.9
113.09644	2.0
117.07018	8.5
119.04954	2.0
119.08590	65.2
120.08904	9.0
121.06508	4.0
121.10158	28.2
123.08074	6.2
123.11722	4.2
127.07549	1.7
129.06989	4.5
129.09151	2.2
131.08571	23.3
133.06503	4.0
133.10141	48.6
135.08092	12.2
135.11682	16.4
137.09608	5.4
142.07822	3.3
143.00117	2.1
143.08571	13.9
145.10130	31.3
147.08040	8.3
147.11690	35.5
149.09610	9.3
149.13277	9.3
151.11203	3.2
153.09132	5.2
155.08575	5.5
156.09325	2.2
157.10155	16.7
159.08122	3.6
159.11710	20.5
161.09607	14.2
161.13269	14.8
163.11168	9.1
163.14835	4.5
165.09061	3.3
167.10710	6.9
169.02547	2.3
169.10146	7.4
171.11685	11.3
173.09674	4.2
173.13219	16.2
175.11201	16.2
175.14828	10.5
177.12764	6.9
177.16402	2.1
179.10609	4.3
181.12276	5.2
183.11713	6.8
185.13293	13.6
186.99014	2.0
187.11247	4.0
187.14850	15.7
189.05453	5.8
189.12715	10.2
189.16423	4.5
191.14316	6.9
193.12256	13.3
195.11768	2.3
197.13271	4.4
199.14819	15.0
201.12743	3.9
201.16415	7.6
203.14362	12.8
205.00323	2.9
205.15891	6.9
207.13803	11.9
209.15401	3.5
211.14830	4.9
213.16418	3.9
215.14294	6.9
215.17952	2.5
217.15825	9.8
219.13802	6.4
219.17444	2.2
221.15355	8.2
223.16972	6.2
225.16309	3.2
227.17921	2.2
229.16003	4.5
231.08054	5.1
231.17462	3.4
233.15352	5.0
235.16934	6.9
237.16457	2.7
247.16841	3.0
259.07486	2.4
269.18958	3.0
283.20572	2.6
285.05399	2.8
287.20172	3.3
291.00287	3.1
293.22662	3.6
301.21600	6.5
311.23755	9.5
312.69711	2.3
329.24756	5.9
337.21701	2.5
351.23059	2.1
363.27014	2.4
369.27872	4.2
373.23526	1.9
375.26849	8.1
381.28033	3.8
383.12799	3.2
383.29523	6.4
393.27908	46.4
399.29074	8.9
403.16965	2.0
411.28995	65.8
412.28995	2.8
426.16754	4.3
429.30026	100.0
442.99597	1.9
447.17749	2.9
447.31946	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	447.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.5
55.01860	5.0
55.05517	20.8
56.96551	2.6
57.03431	9.2
59.05000	2.2
62.83076	1.7
63.47054	2.2
65.03925	2.5
65.79754	1.7
67.05510	38.4
69.03406	4.8
69.07063	12.2
69.55360	10.7
71.04958	5.7
79.05079	2.8
79.05496	42.3
81.03418	52.7
81.06605	2.1
81.07058	40.5
83.04975	12.1
83.08620	9.9
85.02888	3.0
85.06528	4.1
91.05473	38.7
93.06491	2.7
93.07040	39.6
95.04481	2.0
95.04980	28.8
95.08611	21.7
95.99433	1.9
97.02879	3.8
97.06506	8.0
97.10132	7.2
98.20727	1.8
99.04459	4.6
99.08043	2.2
101.05973	2.1
105.07035	32.4
107.04945	9.3
107.08598	34.8
109.06492	7.1
109.10153	11.0
111.04409	2.3
111.08092	9.3
115.05487	2.2
117.07027	16.0
117.13914	1.8
119.04910	3.1
119.07825	2.5
119.08585	33.2
121.06538	10.1
121.10159	13.6
123.08035	5.6
123.11595	2.2
125.09569	6.4
128.06133	4.1
129.05490	1.9
129.07027	12.7
131.08568	22.9
133.06477	4.1
133.10146	24.2
133.86836	1.9
135.08015	5.1
135.11694	31.7
137.05952	5.2
137.09602	5.4
141.06937	4.9
142.07744	4.9
143.08539	11.4
145.06465	3.8
145.10135	23.4
147.07996	8.1
147.11674	19.1
149.02362	2.2
149.09618	10.2
149.13196	4.7
149.48662	1.8
153.09096	2.0
155.08493	6.9
157.10117	17.8
159.07994	3.8
159.11707	17.3
160.58551	2.4
161.09610	6.6
161.13226	6.3
163.03928	2.0
163.11168	7.4
165.12805	3.1
167.08449	2.8
167.10629	3.1
169.08691	2.2
169.10110	7.5
171.08069	2.1
171.11644	7.5
173.09563	4.6
173.13193	7.1
175.11185	12.1
175.14690	2.7
177.12733	4.2
179.10735	2.3
181.10197	3.3
181.12230	5.4
183.11649	7.8
185.09537	4.9
185.13268	9.7
187.11145	7.2
187.14737	2.8
189.11127	3.7
189.12708	4.6
193.12210	22.8
195.11678	4.9
197.13197	5.7
199.11203	3.4
199.14850	4.3
201.12683	6.6
201.16165	1.8
203.10596	3.9
203.14241	6.0
205.12199	3.5
207.11790	2.7
207.13728	5.6
209.13228	2.5
211.13132	4.3
213.12634	3.6
215.11006	2.0
215.14340	4.6
217.12080	3.3
219.13695	2.5
221.13210	2.6
223.14801	3.1
225.12729	2.2
225.16388	2.2
227.14383	2.2
231.13773	4.3
235.13176	2.6
241.15738	2.0
243.13722	4.2
249.14648	4.4
261.14792	2.4
267.15808	1.8
285.16946	4.4
329.21024	7.6
337.21558	4.7
347.22595	2.0
355.22717	12.2
357.21939	2.4
373.23557	4.5
375.22897	4.9
393.24173	10.8
403.24579	10.9
411.25027	15.3
411.29575	1.8
429.26068	20.9
447.27286	100.0
448.27374	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	447.3103
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
53.03929	3.1
55.01851	5.1
55.05503	12.0
65.03953	3.1
67.05500	27.7
69.03418	4.5
69.07061	10.0
69.47007	4.7
69.47414	12.9
71.04990	20.6
73.02901	2.2
73.41112	2.5
79.05492	31.4
81.03426	5.5
81.07052	48.1
83.04954	5.8
83.08613	5.8
85.06527	10.8
87.96654	2.4
91.05468	41.9
93.07040	56.6
95.04944	6.3
95.08595	51.4
95.09174	4.1
97.06511	6.2
97.10181	2.5
98.55692	2.7
98.97591	2.8
101.02375	4.3
103.05482	3.2
105.07024	83.7
107.08588	50.0
107.65779	2.3
108.68935	2.6
109.06511	8.2
109.10152	19.3
111.08124	2.5
117.07011	17.6
119.08570	63.1
121.06503	2.5
121.10134	29.7
123.08076	7.0
123.11700	5.7
125.09608	5.0
125.68536	2.4
128.06212	4.0
129.06982	13.1
130.07765	4.5
131.08557	47.9
133.10123	47.5
135.08051	9.4
135.11674	23.5
137.09575	2.4
142.07764	6.4
143.08563	20.8
144.09348	11.8
145.10118	66.3
147.08066	4.7
147.11671	55.2
149.09665	6.3
149.13252	23.7
151.11174	3.5
153.09077	3.0
155.08569	9.1
156.09306	3.6
157.10126	34.0
159.08064	3.6
159.11682	98.0
161.09615	7.6
161.13249	38.7
163.11227	9.6
163.14815	2.7
165.09180	3.5
165.12779	6.4
167.10695	3.5
169.08633	3.0
169.10114	7.6
171.11673	23.6
172.64687	2.9
173.09581	5.0
173.13251	32.3
175.11230	6.1
175.14857	9.6
177.09311	3.3
177.12741	27.8
179.10698	6.2
183.11697	11.1
185.09569	3.1
185.13242	19.5
187.11205	3.8
187.14835	21.1
189.05511	4.8
189.12686	6.3
189.16353	6.2
191.14322	11.4
193.12314	7.2
197.13242	9.3
199.14783	12.5
201.12820	5.0
201.16389	8.2
203.14381	4.6
205.12187	5.2
207.13889	8.1
211.14839	5.9
213.16423	5.8
215.14241	2.8
217.15898	4.5
219.13815	7.1
221.15369	7.4
225.16437	3.0
227.17950	4.0
229.15862	5.6
231.08141	3.6
231.13760	3.3
233.15422	11.3
235.16943	3.1
237.16463	3.9
239.17854	2.9
245.15472	8.7
245.18408	2.5
247.17072	11.0
257.05930	3.7
259.07578	3.3
327.23105	9.2
353.24658	3.3
375.26810	6.2
381.27881	8.2
383.13083	3.3
383.29437	3.4
387.16013	4.7
393.27911	36.4
399.28690	3.7
401.30643	10.5
411.28873	46.0
415.15576	4.3
429.29990	35.3
447.17999	3.2
447.31116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2742
Annotation	Tyromycin A
Peak:m/z	Relative Intensity
53.03935	5.0
54.66669	1.0
55.01886	5.9
55.05513	22.0
56.96560	1.5
57.03440	10.2
61.02903	1.4
65.03933	2.2
67.05507	49.7
69.03413	3.4
69.07071	9.5
70.40807	0.9
70.52078	1.1
71.01348	3.0
71.04979	4.2
73.02894	1.1
77.03907	1.0
79.05497	46.7
81.03419	63.5
81.07059	29.8
83.04982	10.1
83.08621	15.1
85.02901	2.7
85.06535	3.7
91.05486	37.1
91.87898	1.1
93.07047	39.2
95.04977	30.2
95.08603	12.1
97.02870	3.5
97.06532	6.9
97.10165	12.4
99.08072	1.7
105.07030	23.3
107.04957	11.2
107.06992	1.1
107.08598	28.6
109.06519	5.6
109.10160	5.7
111.04401	2.2
111.08089	7.4
115.05455	2.1
116.06237	1.0
117.07010	11.1
119.08587	21.6
121.06507	9.3
121.10138	10.6
123.08073	4.5
125.09624	5.0
128.06201	2.1
128.24959	1.4
129.07013	11.9
131.04918	1.8
131.08565	15.4
133.06490	4.5
133.10143	9.5
135.08078	4.1
135.11700	28.0
137.05962	1.7
137.09592	1.9
141.06970	4.0
142.07808	4.1
143.08565	5.0
145.06537	7.3
145.10141	11.9
146.53526	1.4
147.08075	5.2
147.11717	7.4
149.09575	6.0
153.09175	1.4
155.08578	4.5
157.10133	11.7
159.08099	1.9
159.11691	3.8
161.09595	2.1
163.11160	7.4
165.12837	1.3
169.10117	2.4
171.11713	2.4
173.09689	1.5
173.13225	1.6
175.11234	8.3
177.12741	2.7
181.12173	2.7
183.11700	3.1
185.09702	1.0
185.13318	5.6
187.11264	2.0
189.11180	3.3
193.12247	24.8
197.13205	2.0
199.13264	1.6
201.12784	2.1
203.14314	4.1
209.13333	2.1
211.13220	1.6
213.12796	1.7
215.06741	1.2
225.12752	1.4
227.12679	1.6
231.13788	1.8
247.26831	1.2
249.14948	3.3
257.15295	1.4
309.22266	1.4
327.23224	1.5
329.21075	5.0
333.17487	1.3
337.21719	4.9
347.22214	2.2
355.22711	12.5
373.23792	7.2
391.24774	1.4
403.24698	6.8
429.26370	12.5
447.27426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2226
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03941	6.7
55.01868	10.9
55.05518	15.9
56.96541	2.9
57.03448	21.6
61.02929	29.1
65.03962	3.0
67.05511	21.4
69.03431	23.1
69.07059	4.9
69.32422	22.5
71.01339	3.1
71.04979	8.4
73.02923	16.0
79.05482	27.8
81.03421	66.7
81.07066	31.1
83.04985	28.0
83.08613	23.1
85.02905	55.0
85.06560	3.9
86.09711	5.9
87.04427	3.9
91.03975	13.1
91.05484	28.5
93.07063	23.0
95.04988	25.7
95.08608	9.4
97.02891	33.9
97.06507	5.7
98.97594	6.2
99.04472	9.0
101.02364	8.4
103.03938	3.2
104.21254	3.0
105.07040	25.2
107.04955	10.5
107.08604	16.5
109.02885	11.3
109.06523	5.3
109.10160	5.1
111.04434	8.5
111.08047	11.2
115.05473	2.7
117.06973	3.3
119.05019	3.8
119.08581	17.9
121.06477	3.2
121.10129	12.0
123.08039	3.1
124.99197	3.1
127.03935	13.2
127.11185	5.9
129.05457	9.6
129.06989	6.5
131.08568	10.3
132.05025	2.6
133.10172	13.6
135.11673	7.7
137.09567	3.2
142.07832	3.1
145.04932	6.7
145.10139	6.0
147.04454	3.4
147.11720	16.3
149.02306	3.1
149.09680	9.0
155.10655	7.8
157.10150	17.0
159.11737	3.2
163.11169	3.5
165.12708	5.3
175.11200	19.1
183.06648	3.9
189.05429	5.8
193.12247	67.6
211.13295	62.1
227.12764	3.4
229.14336	2.9
267.15948	19.6
285.16977	100.0
315.04922	11.7
341.06738	3.9
356.37186	2.7
369.06000	9.2
429.21298	19.2
447.08521	3.5
447.21735	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	447.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01859	4.3
55.05501	10.6
56.96548	7.3
57.03430	8.0
61.02936	10.9
65.03930	2.9
67.05499	14.7
69.03431	14.6
69.07069	6.1
70.06572	3.3
71.04977	7.5
71.53880	2.4
72.08150	2.7
73.02904	6.7
79.05482	13.8
81.03425	60.7
81.07056	18.5
83.04984	18.9
83.08614	15.8
85.02911	31.9
86.09701	11.6
89.05982	2.4
91.03941	5.0
91.05453	19.8
93.07052	18.7
95.04980	21.3
95.08590	10.2
97.02905	20.0
97.06532	12.1
98.97577	9.5
99.04427	2.8
99.08080	7.8
103.03893	2.3
103.05472	2.8
105.07028	16.8
107.04955	7.3
107.08591	9.4
107.99801	2.5
109.02871	7.6
109.06500	3.6
109.10156	6.1
111.04430	10.2
111.08057	10.0
113.05946	2.2
115.03918	4.4
117.07059	2.1
119.04890	3.4
119.08591	12.4
120.08117	2.3
121.06430	2.9
121.10152	11.5
123.04441	3.2
123.08070	2.4
127.03888	8.1
129.05453	8.0
129.06995	4.5
131.00128	2.8
131.08554	7.8
133.10123	8.4
135.11685	6.6
136.87390	2.3
143.00124	3.5
145.04881	2.4
145.10123	2.9
147.04366	9.1
147.08076	2.2
147.11632	11.3
149.02377	2.8
149.09613	6.4
157.10143	13.3
158.99757	2.7
159.11632	2.2
163.03844	5.5
163.11205	4.4
165.12755	4.0
175.03873	5.1
175.11208	12.3
177.00722	3.3
177.05540	3.3
189.05479	5.5
193.12251	55.7
201.12373	8.9
205.05006	2.8
207.06512	6.5
211.13301	29.8
219.13416	8.1
225.07527	11.0
227.12721	4.0
231.01736	4.0
242.11223	2.5
252.09346	5.4
255.08591	2.5
259.09570	3.0
267.15918	17.8
281.16013	2.3
285.16965	100.0
291.03555	3.7
303.05048	13.8
307.08569	4.3
309.16895	3.8
315.04868	9.0
327.05127	3.4
333.11993	3.5
357.09283	4.1
369.05984	5.5
377.01746	11.6
393.18878	2.7
395.03232	2.6
429.21008	8.2
447.09018	6.6
447.22699	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	445.3679
Annotation	3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate
Peak:m/z	Relative Intensity
53.03913	3.5
55.01871	7.3
55.05512	46.8
57.06842	4.2
57.07082	55.0
59.05000	3.5
62.09671	2.9
67.05498	25.7
69.07069	100.0
71.08624	35.3
71.41241	4.9
76.19064	2.6
79.05492	15.6
79.45684	2.8
81.07057	62.9
83.04977	4.0
83.08160	4.0
83.08621	59.9
85.10172	11.8
91.05449	19.4
93.07041	30.6
95.08611	44.6
97.06543	3.0
97.10174	36.8
105.07011	8.7
107.08585	32.5
109.06519	10.5
109.10165	28.9
109.53206	2.9
111.08060	12.3
111.11704	20.8
114.72221	2.6
117.07076	3.0
119.08561	13.0
121.06519	8.8
121.10140	18.3
123.08046	6.9
123.11679	13.8
124.05179	7.2
125.13305	4.6
126.63781	3.7
131.08603	5.2
133.10103	8.0
133.36482	3.0
135.08049	8.9
135.11742	15.0
135.22440	2.8
137.05969	19.0
137.09601	6.2
137.13185	4.5
139.07541	98.1
143.08510	4.2
145.10085	8.6
147.08031	6.7
147.11726	5.0
149.09624	13.5
149.13278	14.6
151.07533	16.8
151.54390	3.0
157.10144	5.2
159.08081	3.8
159.11684	4.3
161.09618	9.7
163.07515	9.6
163.11174	9.8
163.14798	9.8
165.05444	17.7
165.09111	53.2
167.06995	3.7
171.11699	7.5
173.09662	5.1
175.07512	10.3
175.11192	9.8
177.09114	11.0
177.16365	6.4
179.07062	4.0
185.13202	4.8
187.11147	4.2
189.09033	6.9
189.12819	5.2
191.10672	9.6
193.08644	18.0
199.11124	4.1
203.10670	13.5
203.14391	6.8
205.12340	4.4
217.12270	7.9
219.13828	4.2
221.11755	4.3
231.13760	9.5
235.30426	3.0
236.82167	3.6
245.15373	3.8
255.17270	3.6
287.93509	3.3
289.28882	17.6
307.29977	21.0
341.31824	3.5
381.35144	7.2
399.36368	15.4
409.34610	6.3
417.37195	11.8
427.35565	15.2
445.31247	3.8
445.36835	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2225
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03941	6.6
55.01871	7.1
55.05514	15.0
56.96574	1.7
57.03437	24.6
59.04973	1.5
61.02929	53.7
65.03954	1.6
67.05505	25.7
69.03435	25.9
69.07070	8.2
69.52779	7.5
69.53201	3.0
71.01365	3.8
71.05008	7.7
73.02921	27.9
79.05068	2.3
79.05495	29.4
79.98798	1.5
81.03419	77.2
81.07058	32.2
83.04985	20.4
83.08620	21.0
85.02907	78.4
85.06525	1.8
86.09722	1.8
87.04468	2.2
91.03378	1.1
91.03954	32.3
91.05483	41.4
93.07047	19.9
95.04977	29.4
95.08617	11.3
97.02295	3.1
97.02895	49.2
97.06527	7.3
97.10159	3.1
98.97588	1.8
99.04464	8.2
101.02393	10.8
103.03951	5.8
105.07037	27.7
107.04945	11.3
107.08599	8.1
109.02880	12.9
109.06551	6.8
109.10184	1.7
111.04446	5.9
111.08066	14.2
113.05987	4.0
115.03931	3.8
117.07006	2.8
119.04958	1.6
119.08577	19.7
121.06492	1.9
121.10150	11.0
123.08078	2.7
123.11745	2.0
127.03928	26.7
127.07560	2.3
129.05472	5.2
129.06992	15.2
131.08560	17.1
133.06500	3.5
133.10130	18.4
137.09613	1.6
142.07791	4.7
145.04950	7.2
145.10208	2.3
147.04413	1.9
147.08037	3.5
147.11702	19.7
149.09576	7.1
157.10143	18.7
163.11217	2.5
165.12787	5.8
171.06563	2.7
175.11160	24.0
183.06573	5.0
193.12250	86.4
201.07613	3.9
211.13295	100.0
237.74486	1.5
249.14859	1.9
252.09473	1.7
267.09152	1.5
267.15970	21.8
285.16971	97.3
309.17075	3.0
313.16406	2.3
393.19003	2.3
411.19843	4.7
429.21225	10.8
447.16299	2.4
447.22083	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	445.2951
Annotation	Foetidinol
Peak:m/z	Relative Intensity
55.01871	4.3
55.05500	14.5
57.03437	4.0
62.89016	2.9
67.05223	2.6
67.05505	24.9
69.03444	3.2
69.07076	16.9
70.91069	10.8
71.04977	8.0
79.05497	36.1
81.07057	47.5
83.04982	5.5
83.08617	5.6
85.02892	4.3
85.06513	6.1
87.04408	4.0
91.05473	40.4
93.07045	55.4
95.04948	7.9
95.08613	74.9
97.06535	9.8
99.04405	3.5
101.02366	5.9
105.07036	86.4
105.39021	3.0
107.08600	69.9
109.06520	9.8
109.10160	25.3
110.85658	3.5
111.08082	4.5
112.99998	5.2
117.06969	18.3
118.89445	3.1
119.08588	87.9
121.06506	9.7
121.10162	37.0
123.08084	17.7
125.03593	3.5
125.09647	6.8
127.21423	3.0
129.07005	13.2
131.08575	52.7
133.06480	5.1
133.10139	69.8
135.08041	10.2
135.11702	21.7
137.09659	5.9
139.07602	3.4
142.07788	9.6
143.08553	33.2
144.09297	3.9
145.06496	5.4
145.10127	62.4
147.08063	11.2
147.11690	52.0
149.09612	14.2
149.13222	9.1
155.08539	9.2
156.09258	7.1
157.10132	40.8
159.08035	10.0
159.11696	50.2
161.09631	20.6
161.13263	29.6
163.11150	8.8
165.09105	5.9
167.10661	6.6
169.08649	4.2
169.10155	16.3
171.11691	33.3
173.09605	11.0
173.13260	43.0
175.11198	24.8
175.14806	11.1
177.09036	7.2
177.12709	7.0
179.10674	7.0
181.10106	4.7
181.12260	6.8
183.11702	15.8
185.09674	3.7
185.13266	22.3
187.11186	13.1
187.14827	21.1
189.12721	12.5
189.16464	4.4
191.10661	7.1
191.14330	6.2
193.12265	12.6
195.11661	6.8
197.13269	21.6
198.13869	3.4
199.11160	6.6
199.14760	10.1
201.12770	14.4
201.16362	6.6
203.14304	11.5
205.12222	8.9
205.15919	4.0
206.51704	3.9
207.13832	15.8
209.13295	5.0
211.14861	9.0
213.12801	7.6
213.16386	5.3
215.14354	18.6
217.12180	3.7
217.15814	6.9
219.13841	11.0
221.15453	6.9
223.14873	4.4
225.16373	5.9
229.15929	6.7
231.13646	3.5
233.15416	11.8
241.19441	3.8
243.17276	3.5
244.72409	3.6
245.15421	7.3
247.16969	5.7
247.87199	3.5
299.20032	4.0
309.22116	10.0
327.23059	9.0
333.24268	7.1
347.63678	3.7
363.26736	6.6
367.26169	9.8
369.24026	6.5
373.25229	9.8
381.27866	13.7
391.26321	38.9
391.36746	4.1
399.24515	4.0
399.29211	20.5
409.27380	58.7
427.28418	78.5
429.11261	3.8
445.29535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.2
55.05512	16.5
57.03437	12.0
57.07067	4.0
61.02929	8.4
64.02940	1.9
65.03919	3.3
67.05505	33.2
69.03431	100.0
69.07070	11.2
70.10712	8.2
71.04986	5.5
71.08592	2.0
71.17254	2.5
73.02932	3.3
79.05500	12.2
81.03432	14.2
81.07057	38.3
81.16686	1.9
83.04986	28.8
83.08612	11.1
85.02913	21.7
87.04469	8.9
91.05460	9.7
93.07037	12.8
95.04988	1.7
95.08612	28.3
97.02911	4.1
97.06545	1.6
97.10156	6.8
98.21501	2.7
99.04453	19.4
99.08120	2.7
105.07027	3.9
107.08585	7.8
109.10165	16.0
111.04455	19.5
119.08575	6.4
121.10143	6.5
123.11733	7.1
127.03931	2.1
129.05481	61.1
131.08601	2.5
133.09216	2.1
133.10155	7.4
134.98239	3.0
135.11717	6.0
147.06543	21.9
147.11734	6.0
149.13260	7.2
153.12653	2.1
161.13249	3.7
163.14755	5.0
165.07610	19.2
171.11780	1.9
175.14836	2.7
177.26196	1.9
182.11461	2.0
183.72195	1.8
194.28697	2.0
245.22664	16.2
263.23709	18.0
345.09021	2.6
409.29462	37.3
445.20865	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	445.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.5
55.01860	5.6
55.05510	9.9
57.03437	10.3
59.05015	1.4
61.02924	23.1
63.86188	1.0
65.03941	1.2
67.05505	13.8
69.03432	13.9
69.07062	4.7
70.06616	1.4
71.01347	2.4
71.04977	3.2
71.55881	1.9
72.08154	1.6
73.02909	11.1
73.04751	1.8
77.82233	1.1
79.05495	16.8
81.03416	18.5
81.07068	14.2
83.01344	2.8
83.04984	6.8
83.08630	5.6
85.02428	2.1
85.02907	23.8
86.09709	6.3
87.04445	2.0
91.03961	10.4
91.05406	6.5
93.07041	20.8
93.07574	2.1
95.04967	5.0
95.08606	20.1
97.02895	25.2
97.06542	3.9
97.10167	2.7
98.97607	2.0
99.04468	8.1
101.02396	3.6
103.03951	2.9
103.05496	1.3
105.07033	6.0
105.37241	1.4
107.04980	7.3
107.08591	16.6
109.02892	8.3
109.06524	3.8
109.10152	4.5
109.34459	1.1
111.04458	2.7
111.08091	2.0
115.03901	2.0
117.06990	6.6
119.08606	7.8
121.06507	3.9
121.10133	9.6
123.08093	2.0
125.05992	1.5
125.09634	2.1
127.03916	12.3
129.03337	1.2
129.05515	3.1
129.06990	1.7
130.07825	2.1
131.08551	2.4
133.06462	1.2
133.10139	3.8
135.08078	1.8
135.11688	27.4
137.06042	1.2
143.08583	1.6
145.04932	1.9
145.10124	19.0
147.08055	1.7
147.11618	1.3
149.09605	1.4
153.12752	3.0
155.08524	1.4
155.40002	1.1
157.10101	1.7
161.06053	1.4
163.03955	1.6
163.11177	37.9
164.31042	1.2
171.11684	1.4
173.09631	2.8
173.12888	2.0
181.12230	10.8
183.06544	4.0
189.05481	6.5
191.10667	3.7
201.07599	3.1
209.11661	7.8
227.12776	100.0
283.15378	42.7
311.14871	2.1
325.16400	4.0
331.73190	1.1
359.02716	1.8
391.17484	3.2
413.12286	1.5
427.19547	8.4
445.20639	27.6
445.27411	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	445.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04883	2.1
53.03936	8.3
55.01880	16.2
55.05516	12.8
55.78568	2.0
57.03439	21.3
61.02930	50.6
65.03941	2.9
65.79211	1.7
67.05508	20.0
67.32595	2.1
69.03429	26.7
69.07069	6.1
71.01331	4.0
71.04983	9.6
73.02922	18.7
79.05495	22.4
80.01731	2.0
81.03422	41.8
81.07063	17.4
83.01340	10.2
83.04983	18.4
83.08615	12.2
85.02909	58.7
86.09700	2.7
87.04462	2.5
87.67329	2.0
91.03960	28.9
91.05476	18.8
93.03439	2.6
93.07055	23.9
95.04975	13.7
95.08590	8.0
97.02892	42.7
97.06528	7.0
98.21522	6.7
98.97610	2.9
99.04458	12.9
101.02370	9.9
103.03931	6.1
103.05458	5.5
105.03381	3.0
105.07040	12.3
107.04957	13.4
107.08620	14.7
109.02905	14.7
109.06509	9.0
109.10143	5.3
111.04453	10.3
111.08076	3.9
115.03902	5.1
117.07003	8.5
119.08572	9.5
121.06512	8.8
121.10131	7.0
123.04447	2.1
123.08067	9.2
125.06026	3.3
127.03947	19.7
128.06203	2.1
129.03369	9.0
129.05470	4.0
129.07007	4.3
131.04904	4.6
131.08530	5.4
135.04399	2.7
135.08029	2.7
135.11681	14.6
137.05978	3.2
143.04863	3.7
143.08551	2.7
145.04982	10.2
145.06354	1.8
145.10135	19.0
147.08000	3.9
147.11690	2.2
149.09711	2.3
153.12735	7.6
155.04895	6.1
155.08580	3.9
159.04388	2.1
159.06519	3.4
161.05943	7.3
163.11201	41.0
165.05609	2.4
165.07021	3.8
167.08534	3.3
173.09633	6.3
178.07755	6.3
179.08560	5.7
181.10132	3.3
181.12248	12.5
183.04404	6.2
183.06535	4.8
189.05482	100.0
191.08710	12.6
191.10582	13.0
193.06517	2.5
195.08031	2.9
199.03949	3.5
201.07491	6.7
202.07811	6.5
203.08556	6.7
205.06483	3.5
205.46571	2.3
207.08153	3.9
209.09723	3.5
209.11697	29.6
213.05363	3.3
214.06207	9.6
219.08087	14.1
221.09618	5.1
227.12825	24.9
229.14384	4.8
231.07947	6.3
235.07542	2.9
239.10860	2.6
243.06456	5.1
247.07716	10.7
249.09138	3.8
253.08707	3.7
255.11284	3.1
259.07507	3.0
263.06967	2.9
265.08563	6.2
275.06967	7.4
277.08511	3.5
283.15427	85.7
289.08456	2.3
293.08078	6.3
303.06168	4.2
305.07993	3.6
307.09607	4.9
311.14978	3.3
321.07700	10.1
325.10739	2.9
331.06079	2.6
335.09143	9.3
339.08618	7.3
353.10172	18.9
353.14368	2.5
353.15988	2.5
363.08539	5.7
381.09738	12.0
385.12741	9.6
395.11557	5.1
413.12366	33.4
427.14090	4.3
427.19550	17.6
431.13806	10.8
445.14767	23.5
445.20667	19.6
445.27026	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	443.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01862	4.3
55.05503	14.9
57.03437	12.4
57.07071	2.9
61.02930	9.3
65.03936	2.9
67.05507	45.7
69.03432	100.0
69.07056	5.2
69.86587	6.0
71.05006	6.9
73.02908	3.8
79.05070	1.9
79.05495	26.0
81.03419	7.2
81.06596	2.2
81.07059	43.4
83.04985	30.5
83.08607	4.0
85.02913	22.4
86.09663	1.1
87.04471	9.5
91.03968	2.0
91.05482	12.9
93.06490	2.1
93.07047	32.9
95.04939	2.2
95.08607	37.2
97.02869	2.3
97.06528	1.8
97.10152	2.9
98.20827	1.7
99.04456	16.8
99.08059	1.8
103.03934	2.9
105.07034	12.0
107.08598	21.1
109.10152	22.1
111.04446	20.8
117.05511	2.3
117.06989	3.4
119.08575	8.5
121.10149	19.2
123.11691	12.5
127.03903	2.1
127.13136	1.1
129.05489	51.5
131.08559	10.2
133.10112	7.8
135.11687	12.7
137.13260	4.0
145.10100	7.5
147.06520	22.6
147.11707	6.0
149.13269	9.7
151.11122	1.4
151.14841	1.4
159.11682	6.4
161.13254	4.8
163.11142	1.6
163.14804	6.4
165.07617	15.2
173.11987	1.3
173.13258	8.6
175.11005	1.2
175.14981	1.5
177.16342	4.0
187.14784	3.8
203.78729	1.1
229.12140	1.3
233.22606	1.8
243.21077	12.6
261.22125	45.7
263.23676	2.1
264.80978	1.2
279.23172	23.1
280.23618	1.6
407.27887	20.3
425.29156	6.9
443.30219	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	444.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
57.03441	16.8
57.07079	15.0
59.05005	100.0
60.04531	1.4
61.02903	3.5
69.03433	53.2
69.20330	12.7
70.06578	2.2
71.01340	2.1
71.04981	1.7
73.02923	13.8
75.04494	1.8
76.91157	1.2
81.03410	4.8
84.04499	1.6
85.02909	49.7
86.09698	3.5
87.04472	32.1
97.02900	55.9
98.21469	2.6
99.04445	3.4
99.08089	1.7
109.02877	3.5
115.03940	64.7
115.10438	2.4
115.11215	39.4
127.03955	8.6
133.04974	57.1
133.12254	62.2
136.07567	1.4
145.04956	13.5
150.07556	2.0
152.83476	1.2
163.05989	3.8
164.05725	1.2
164.07112	1.5
169.04955	2.5
223.06012	3.4
234.55989	1.1
237.34749	1.4
240.53857	1.3
241.07104	4.6
259.08157	6.7
265.16577	3.3
267.57739	1.4
277.09286	3.6
295.10309	3.5
298.56656	1.4
444.18436	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	443.0953
Annotation	Biisofraxidin
Peak:m/z	Relative Intensity
51.90691	4.6
70.83724	12.2
84.03981	5.2
85.70187	4.5
92.32791	4.6
155.78082	4.3
443.09485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.6
57.03419	0.6
70.05334	1.6
71.42263	0.5
73.02919	0.9
84.96003	0.7
85.02891	1.5
95.04981	0.8
97.02903	0.6
98.97585	2.1
99.50998	0.5
110.97577	0.7
111.52766	0.5
113.06009	0.8
122.07177	1.4
123.07938	1.4
127.03854	0.7
128.96280	0.5
131.07033	3.7
132.07378	1.6
145.04977	0.9
147.04391	0.5
149.02074	5.6
158.97403	1.4
158.99680	1.1
177.00697	1.1
208.98842	0.7
216.97961	0.9
219.01794	1.1
221.01216	0.6
229.06804	0.9
234.98996	3.7
237.02792	1.0
238.50577	0.5
263.02292	0.6
281.03354	1.0
281.10727	1.2
294.12711	0.6
303.04236	0.6
311.02213	1.9
311.07315	1.6
317.08392	8.5
323.04446	0.5
333.28207	0.5
355.01236	0.7
381.02679	1.4
425.01550	1.5
443.11572	100.0
444.11887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01865	2.5
55.05492	3.6
56.96553	1.3
57.03431	6.5
57.77175	0.9
59.04975	0.9
61.02924	7.9
67.05492	1.2
68.14903	0.8
69.03088	1.2
69.03426	14.3
69.07047	3.7
69.36001	0.8
69.88422	4.5
70.06573	3.0
70.07409	1.1
71.04993	4.2
72.08149	3.5
73.02906	3.7
79.05489	0.9
81.03427	6.1
81.07047	1.7
83.01323	0.8
83.04988	1.0
83.08620	4.3
84.04519	1.0
84.08140	0.8
85.02905	100.0
86.03210	1.0
86.09701	7.2
87.04454	2.8
91.03955	4.7
91.05490	1.3
93.07045	1.1
95.08611	2.0
97.02892	23.7
97.06561	1.2
98.20776	1.5
98.97567	3.5
99.04440	4.2
101.09636	1.4
105.07034	1.9
107.04916	1.1
107.08577	1.8
109.02891	8.7
109.06505	1.0
110.06033	0.8
111.08060	1.8
113.09570	0.9
115.03897	2.9
116.07078	1.8
116.98580	1.0
121.06434	0.9
127.03922	27.3
129.09099	1.7
129.12785	1.1
130.13132	1.0
133.04929	1.0
133.06464	1.1
135.04437	0.8
137.09619	1.3
139.07545	3.5
141.09116	1.3
141.10239	0.8
145.04959	50.7
146.06026	1.2
147.04376	0.8
158.99611	1.2
161.06015	1.1
162.03149	1.6
163.03864	1.7
163.06013	18.8
164.07076	0.9
167.10638	1.2
177.05479	2.9
178.05821	2.4
179.10625	0.9
183.11290	1.5
186.12358	1.6
189.01828	1.9
190.02223	1.4
205.01701	0.9
207.02936	2.8
208.03198	4.3
209.11745	1.9
214.11882	1.6
214.92169	0.8
215.13930	1.3
219.01741	1.2
222.04749	1.5
227.12787	1.7
227.67438	0.9
228.13445	4.1
245.13799	2.6
249.03769	1.6
250.04240	0.9
263.14865	4.4
325.11288	1.2
327.20258	2.2
340.03995	1.0
391.11050	0.8
442.07718	1.4
442.19836	1.0
442.26492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91512	0.5
55.01868	0.8
57.03438	5.7
57.07082	3.3
59.05000	0.5
61.02938	3.2
67.05516	4.6
69.03433	4.1
69.07063	1.0
69.87383	2.2
71.04977	2.4
73.02926	10.8
81.03426	1.9
85.02908	26.2
85.06554	3.3
87.04472	0.6
90.66718	0.5
91.03989	1.3
95.04974	9.7
97.02893	8.6
98.09689	0.8
98.21494	1.1
98.97570	1.1
99.04460	1.3
101.88520	0.6
109.02892	1.9
113.06014	22.0
115.03931	3.0
116.07054	0.6
119.04942	0.8
127.03897	6.7
131.07048	100.0
136.06180	1.9
143.12506	0.5
145.04962	12.0
147.04454	1.1
163.06018	6.0
234.98978	0.7
240.07672	1.3
257.10379	1.2
260.09680	0.5
293.12320	18.9
364.48340	0.6
443.09412	1.1
457.37054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03938	2.2
55.05505	9.0
57.07063	3.6
62.62198	2.4
67.05511	35.1
68.20515	2.5
69.07069	19.5
71.41340	5.2
74.96841	2.0
77.49689	2.3
79.05497	15.7
81.06609	2.4
81.07065	43.1
83.08620	7.1
88.02608	2.1
91.05493	19.4
93.06498	2.6
93.07048	37.7
95.08617	73.6
97.10162	8.0
101.46419	2.3
105.06407	2.9
105.07044	30.9
107.08604	45.3
109.06539	2.3
109.10162	100.0
111.08074	9.3
111.11729	2.9
117.07005	7.8
119.08594	36.0
121.10151	29.7
123.08052	3.2
123.11734	19.1
125.09612	7.3
127.11166	5.0
131.08566	19.2
133.10144	30.3
135.11696	20.9
137.13304	3.6
143.08528	4.5
145.10124	23.0
147.11710	22.8
149.13263	18.8
157.10144	4.1
159.11734	19.6
161.13269	22.7
163.14790	15.3
171.11703	3.6
173.13245	18.9
175.14841	17.8
177.16400	5.4
179.14284	4.6
185.13306	4.2
187.14836	22.7
189.16431	12.4
191.17953	13.1
199.14893	4.1
201.16408	28.1
203.17981	10.9
205.15857	7.3
207.17439	3.1
213.16313	2.4
215.17949	6.4
217.19533	5.2
219.17462	6.9
221.18976	3.8
229.19482	4.3
231.21031	2.4
233.19186	2.5
239.17949	2.8
243.21069	3.2
247.20685	4.0
253.77008	2.1
297.25812	22.3
299.27463	3.4
315.26862	25.3
405.35101	5.3
423.36185	22.2
441.37540	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
53.03931	3.0
55.05506	14.8
57.07067	4.4
64.65607	2.1
65.03942	3.5
67.05510	35.0
67.85966	2.3
69.07066	19.8
76.95510	2.0
79.05496	19.3
81.07058	52.7
83.04972	6.4
83.08630	14.7
85.06557	4.5
91.05480	23.2
93.07043	42.9
95.04961	7.2
95.08610	98.2
97.06521	4.0
97.10173	6.5
98.21531	7.7
99.08131	2.2
105.07032	45.0
107.08595	67.2
109.06526	4.4
109.10157	100.0
111.08073	7.6
117.07020	10.3
119.08585	59.8
121.10146	64.1
123.08073	6.6
123.11707	23.4
125.09635	5.4
127.03085	2.8
127.11204	3.6
129.06973	2.2
131.08575	19.6
132.42201	2.7
133.10130	52.3
135.11696	34.9
137.09688	2.8
137.13245	9.7
139.11165	3.5
143.08574	4.2
145.10130	29.1
147.11684	42.2
149.13292	23.4
149.14418	3.6
157.10155	6.6
158.10805	3.1
159.11716	36.4
160.61127	2.3
161.13281	31.1
163.14841	25.6
169.10022	2.5
171.11696	8.3
173.13260	21.2
175.14850	22.3
177.12712	3.0
177.16414	32.6
179.14352	6.6
185.13257	5.2
187.14874	20.6
187.61349	2.5
189.16365	36.4
191.14204	2.6
191.17955	18.3
193.15868	4.3
199.14894	3.3
201.16386	28.4
203.17941	46.5
204.38972	2.2
205.15926	6.7
205.19513	4.5
207.17471	22.2
213.16589	4.5
215.17944	28.3
217.19588	18.6
219.17479	8.5
221.19034	10.5
227.17981	4.6
229.19473	8.4
231.21046	3.5
233.19012	9.9
241.19499	3.7
243.21089	9.1
245.19078	3.6
245.22873	3.1
255.21223	4.1
257.22586	3.2
261.22095	5.0
267.20984	3.7
269.22635	3.9
273.22296	2.6
297.25699	6.4
313.25165	2.7
315.26779	5.5
327.26733	2.6
333.57275	2.4
339.22012	2.6
375.74316	2.5
393.35251	5.7
395.36539	2.6
405.35257	16.5
411.36188	15.2
423.36331	70.0
441.37894	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.8
55.01873	3.9
55.05512	22.1
57.03440	14.5
57.07057	4.0
60.53168	2.5
61.02914	9.8
67.05508	33.4
69.03429	100.0
69.07067	12.4
71.04986	8.0
71.56437	3.7
73.02909	5.1
79.05489	42.7
81.03411	7.2
81.07056	43.5
83.04980	35.6
83.08612	7.9
85.02901	25.3
85.06459	2.9
87.04458	10.2
91.05479	48.0
93.07036	54.0
93.07566	5.0
95.04937	6.1
95.08601	32.1
97.02876	3.1
99.04453	22.6
99.08119	4.6
105.07030	68.0
107.08610	33.9
109.06486	3.5
109.10171	19.2
111.04442	28.0
117.05476	3.3
117.07003	9.8
119.08583	60.5
120.08080	5.7
121.10134	34.7
123.11751	4.6
128.06238	3.1
129.05484	42.0
129.07008	9.1
131.08594	21.2
133.10130	41.4
135.08037	4.0
135.11690	28.3
142.76082	2.8
143.08553	8.0
145.10112	18.9
147.06485	21.8
147.11685	42.5
149.13271	21.4
157.10127	9.1
159.11676	17.9
161.13245	45.1
163.14838	6.3
165.07611	15.8
171.11682	13.2
173.13246	11.6
175.11157	3.0
175.14868	29.8
185.13274	10.4
186.68289	2.4
187.14796	5.8
189.12779	3.9
199.14844	10.9
213.16307	4.4
215.14232	2.7
215.17880	3.9
231.21112	8.7
241.19508	47.3
259.20566	93.2
261.22052	7.1
277.21591	46.0
405.26349	13.9
423.27402	18.9
441.28598	36.1
441.34894	3.5
441.37186	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	441.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
53.18927	1.6
54.99261	1.5
55.05315	1.2
55.05515	13.7
56.39417	1.3
57.07071	3.0
67.05193	2.2
67.05508	33.2
69.03404	3.6
69.06779	1.7
69.07079	15.8
69.78323	3.9
69.78726	5.0
71.08618	4.5
77.03947	2.3
79.05083	1.8
79.05499	28.0
81.03426	2.5
81.06598	3.1
81.07057	60.4
83.04966	4.7
83.08620	8.0
85.02913	2.1
85.06492	3.2
91.05480	34.2
93.07044	54.9
95.04977	4.4
95.08610	100.0
97.06526	4.9
97.10145	4.0
98.20786	3.1
99.04446	2.8
99.08054	3.1
105.07036	60.4
107.08600	56.7
109.06512	5.3
109.10165	34.4
111.08054	2.1
113.06004	1.7
117.06998	7.9
119.08590	60.9
121.06507	5.0
121.10149	35.5
123.08076	5.3
123.11687	7.7
125.05990	3.3
126.04066	1.8
129.05461	3.0
129.06996	3.7
130.07800	2.4
131.08569	21.5
133.06488	2.4
133.10132	53.4
135.08087	3.1
135.11693	27.3
141.07019	2.8
143.08548	10.0
144.09331	2.1
145.10123	37.4
147.06659	1.7
147.07994	2.9
147.11691	36.8
149.09631	2.9
149.13292	9.2
150.13254	1.6
151.11255	2.9
153.09091	3.2
155.08580	2.5
156.09346	1.8
157.10136	10.3
159.11691	29.4
161.09636	5.7
161.13272	21.0
163.11174	3.7
163.14816	7.4
165.09163	2.7
167.07053	3.2
167.10701	3.3
169.10159	3.0
171.11696	10.5
173.09567	1.9
173.13252	14.7
175.11217	2.6
175.14810	17.8
177.09149	1.9
177.12741	3.6
177.16370	8.2
179.10606	4.0
179.14284	19.2
181.12167	2.6
183.11668	3.1
185.13199	7.3
187.11246	2.5
187.14796	15.3
189.12727	3.4
189.16382	32.3
189.17929	2.7
191.10660	2.3
191.14224	2.1
191.17953	8.4
193.12177	2.9
195.13834	2.6
197.13249	4.6
199.14836	4.6
201.12807	2.2
201.16371	9.2
203.14429	3.1
203.17961	18.3
205.12270	3.4
207.13814	4.5
211.14774	2.4
213.16409	1.7
215.14348	2.6
215.17888	4.0
217.19591	2.7
219.13812	4.4
221.15343	4.5
223.15005	1.8
225.16447	2.5
227.17931	1.5
229.16092	2.0
231.17319	1.7
233.15334	4.6
235.16922	3.4
241.19560	2.6
245.15517	2.1
269.13486	2.2
277.21722	12.5
309.25754	1.6
313.21692	2.1
315.23288	2.4
329.24756	2.3
332.05988	1.7
360.43097	1.6
423.27313	2.7
423.32422	20.9
441.33624	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01377	1.1
50.82471	1.0
53.22738	1.2
56.96563	9.2
60.15799	1.1
60.82288	1.1
69.03426	1.5
69.37773	6.4
69.38200	3.2
70.06592	2.1
71.95255	1.5
81.07018	1.4
84.96021	2.8
85.02910	2.5
91.05470	3.3
93.07021	1.5
97.02868	2.4
97.96806	3.5
98.96950	2.0
98.97585	31.6
101.61169	1.1
110.97577	12.5
111.11710	1.3
115.97833	1.2
116.98634	8.3
128.98601	9.6
131.00169	1.8
137.06003	1.3
140.98615	3.2
143.00206	4.7
144.98044	2.0
145.02908	1.6
146.99648	1.9
147.04480	1.5
152.98555	4.4
158.99660	7.4
161.01170	2.5
165.02350	1.7
170.99661	4.6
177.00729	3.8
177.05547	1.4
183.03246	1.1
185.01385	1.2
189.00560	1.7
189.02095	2.6
195.42142	1.1
197.04657	1.3
201.00703	2.9
207.03294	10.7
213.00726	1.3
219.01753	15.0
219.03665	1.3
225.04465	2.6
237.02831	15.8
249.04300	2.0
249.25224	1.2
265.36722	1.2
309.06403	12.0
327.07495	30.9
350.09161	1.7
423.12991	1.7
441.11230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.2
57.07061	3.4
67.05502	13.7
69.07072	12.4
70.90759	2.7
70.91098	1.1
71.08638	1.2
78.33841	1.3
79.05508	5.9
81.03382	2.4
81.07052	22.3
83.04986	1.1
83.08612	6.7
85.02866	1.3
91.05490	6.5
93.07043	21.6
95.08608	44.1
97.10170	4.5
105.06377	2.1
105.07027	18.8
107.08594	31.0
107.33030	1.2
109.10151	31.5
117.07008	1.4
119.08578	32.7
121.10143	30.2
123.11704	12.6
131.08551	3.8
133.10130	32.1
135.11703	21.7
137.13242	4.7
139.07484	1.5
145.10115	4.4
147.11690	30.0
149.13268	19.1
153.09081	4.9
157.10074	2.1
159.11697	4.8
160.12386	1.1
161.11967	2.0
161.13245	17.0
163.14822	7.9
165.09103	1.8
167.10652	3.2
171.11630	1.8
173.13264	3.4
175.14836	10.7
177.16383	3.6
179.10666	1.2
187.14838	3.3
189.16368	40.4
191.17944	69.4
193.12254	3.2
201.16373	12.0
203.17955	100.0
205.19513	18.2
211.13268	2.0
213.16301	1.6
215.17920	4.3
215.54315	1.4
217.19479	9.0
221.18990	4.1
229.19604	1.2
231.17377	2.4
231.21037	3.1
233.15370	1.4
235.16907	5.5
241.19690	1.6
245.22610	2.3
247.17082	6.2
249.16129	1.9
249.18492	22.0
257.22504	1.6
261.18469	2.9
275.19916	1.4
287.20172	1.3
292.29813	1.4
315.23517	1.4
393.35016	5.0
439.26990	2.4
439.35760	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01869	2.6
55.05517	16.4
57.03234	0.8
57.03452	7.2
57.07072	1.6
59.05003	4.5
65.03929	3.7
67.05511	100.0
68.05834	0.9
69.03418	3.2
69.07079	8.4
71.05002	5.4
78.08705	0.9
79.05496	17.1
81.03427	32.0
81.07063	33.9
83.04977	8.5
83.08624	18.5
85.02910	16.7
85.06543	3.8
91.05490	23.7
93.07047	16.2
94.55066	0.9
95.04979	13.8
95.08053	1.4
95.08611	13.6
96.01880	1.8
97.02885	1.7
97.06528	2.9
97.10186	3.0
98.20660	1.9
98.39311	0.9
99.08118	0.9
104.63616	1.0
105.07039	18.0
107.04983	2.9
107.08603	12.6
109.06552	4.4
109.10165	73.6
111.08099	10.3
113.05995	2.3
117.06991	1.9
119.08590	18.4
120.83369	0.9
121.06498	1.6
121.10164	10.4
123.08064	2.7
123.11675	2.6
125.09607	2.6
128.15622	1.1
129.07047	4.8
131.08565	8.2
131.82767	0.9
133.06511	2.3
133.10147	9.7
135.08055	1.4
135.11687	2.5
137.09630	3.3
142.07780	1.2
143.08545	1.6
145.10136	4.9
147.08066	2.5
147.11685	11.7
149.09677	2.9
149.13283	3.1
155.08612	1.0
155.10712	5.6
156.03947	0.9
157.10129	9.3
159.11734	3.1
161.13284	2.0
163.14809	1.3
165.12767	1.8
165.81393	0.9
173.11768	21.1
173.13162	1.6
175.11166	9.8
175.14810	1.6
177.16344	1.0
187.14894	2.0
188.02946	1.2
189.16418	2.8
191.17896	3.2
193.12251	32.7
201.16422	1.9
203.17934	5.8
205.19527	1.0
211.13293	38.7
229.07518	1.1
229.14305	5.3
264.02982	1.1
267.15933	5.3
269.13589	20.3
358.16287	2.1
421.25885	5.4
439.26935	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1422
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
54.37450	0.6
65.89048	0.6
70.13258	2.3
85.02906	1.3
89.64365	0.6
96.92234	10.3
98.20869	0.8
98.97585	0.8
107.61259	0.6
107.62112	0.7
119.02011	0.6
151.06395	0.7
171.01067	0.7
180.97418	0.7
183.92471	0.6
185.04222	1.3
203.05260	1.9
247.35948	0.6
265.07593	1.0
275.84027	0.7
277.08966	22.5
277.12076	1.2
331.02722	0.6
337.02390	0.7
352.70813	0.7
365.10501	6.0
381.07849	2.4
439.14197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.0
57.03439	1.3
58.52831	0.5
61.02938	0.7
62.46604	0.5
63.04197	0.5
66.60371	0.5
67.05517	2.6
69.03421	1.3
69.88103	0.9
69.88506	2.2
70.06585	1.7
71.04975	0.8
73.02919	2.0
79.05492	0.9
79.54701	0.5
81.03375	0.8
81.07050	0.7
84.08142	0.6
85.02933	2.7
86.09711	1.1
91.05476	0.9
92.66844	0.5
95.04995	0.5
97.02892	1.4
97.06538	0.6
98.20813	1.0
105.07036	0.8
109.10155	3.5
111.08070	0.6
111.52886	0.4
115.03986	0.9
122.67540	0.5
124.07644	0.5
125.04256	0.5
127.03905	0.5
127.11205	1.4
133.04933	0.7
145.02699	1.0
145.04932	0.8
150.37953	0.5
163.03926	0.7
191.14407	0.5
203.05293	0.7
211.22678	0.5
213.12404	1.0
227.09303	0.7
229.06812	1.8
236.09711	0.6
245.10480	1.5
317.08447	48.1
324.14746	0.6
340.14426	0.5
386.82828	0.7
406.58188	0.6
422.49487	0.7
439.12128	100.0
439.22806	9.0
440.12485	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01860	1.2
55.05512	3.5
56.96303	1.2
56.96567	18.1
57.03440	6.9
57.07032	1.2
61.02930	15.6
67.05500	5.0
69.03429	8.8
69.07064	1.2
71.95258	1.4
73.02912	5.6
73.21402	0.9
79.05502	5.7
81.03420	18.7
81.07069	7.6
83.04990	2.9
83.08621	6.6
84.96050	1.1
85.02908	19.3
87.04440	1.4
91.03968	6.6
91.05463	7.5
93.07058	6.7
95.04961	6.1
95.08613	7.5
97.02895	13.9
98.97598	6.1
99.04462	2.7
101.02394	2.3
103.03941	1.2
105.07027	7.0
107.04982	1.7
107.08601	4.8
109.02876	2.7
109.10202	1.6
110.97578	2.9
111.04446	1.6
111.08086	2.4
111.73384	1.0
115.03932	1.7
119.01696	1.4
119.08595	6.8
121.10146	2.8
123.11687	1.9
124.99149	1.2
127.03896	3.7
129.06975	2.6
131.00172	1.1
131.08551	4.2
133.10094	6.8
134.10454	1.8
135.11749	1.1
139.00650	2.2
141.02255	1.3
142.07855	1.3
143.00140	1.3
143.05421	1.1
145.10112	2.4
147.11697	4.6
149.09631	2.5
151.00676	1.6
152.05959	2.2
153.02235	2.9
157.01744	1.4
157.10155	3.8
158.99753	1.7
159.11685	1.3
160.21214	1.2
161.13280	1.6
167.03824	4.3
169.01663	1.3
170.99646	2.6
171.03273	1.3
171.06732	1.8
175.11151	4.3
176.15190	1.2
177.16367	1.1
183.06622	1.4
185.04866	8.7
187.14818	1.6
189.16275	1.5
191.17896	1.4
192.18370	1.9
193.12265	12.3
194.12691	1.4
199.14746	1.2
201.07814	1.4
201.16411	3.8
202.16743	3.4
203.05873	3.0
203.17981	2.9
204.18301	2.5
211.06430	4.3
211.13280	22.1
215.07549	1.8
219.05206	1.3
219.38644	1.2
223.06448	1.6
229.07550	1.9
231.06937	1.8
237.07889	1.9
243.08846	12.0
247.17101	1.1
248.17346	1.3
249.07950	7.4
267.09042	82.3
267.15881	2.9
268.09317	5.4
276.12814	1.6
285.10107	100.0
285.16858	13.8
286.10431	7.5
290.10638	2.1
296.09988	1.8
303.11121	2.5
308.11725	4.8
315.10916	2.9
321.05048	1.3
324.11496	57.7
324.61661	7.9
357.15564	3.0
392.33731	1.7
438.18387	12.2
438.34549	8.8
438.68359	2.6
447.22366	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	438.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32592	0.8
52.78461	0.8
53.03941	1.0
53.71976	1.0
55.01883	1.3
55.55505	0.9
57.03445	1.7
60.89603	0.9
61.02924	2.7
65.03938	1.3
68.99805	0.9
69.03435	7.0
70.96520	1.5
70.96854	1.9
71.01354	2.1
79.05499	11.4
79.75856	1.0
81.03431	5.0
83.04992	2.5
85.02911	16.4
91.05476	1.8
95.01334	5.4
95.04976	2.8
97.02895	14.0
99.00822	14.5
99.04445	1.1
105.03387	1.5
107.04962	12.3
109.02850	2.4
111.04437	5.2
115.78020	0.9
115.78783	0.9
119.04919	1.2
121.02867	2.0
121.06506	0.9
123.00877	1.0
123.04511	1.5
125.02370	1.0
127.03925	53.4
131.03387	7.5
133.02809	1.2
135.04413	14.6
139.03915	20.0
141.05458	2.4
145.02829	2.1
145.04976	4.0
145.63014	1.0
149.02411	1.1
151.03952	2.6
153.05435	1.1
161.02356	1.1
163.03911	16.4
163.06010	2.0
165.05542	2.7
173.02336	1.1
177.05435	1.3
179.03372	2.2
180.08662	1.7
181.04973	2.8
191.03412	15.3
193.05070	1.0
195.06567	1.6
198.09731	0.9
205.05005	4.1
209.04456	16.3
218.74626	1.0
223.06013	6.3
227.05440	2.1
229.09412	1.1
241.07080	100.0
259.08188	8.3
378.73886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
53.65303	0.5
55.01869	0.7
55.05502	0.5
56.96569	0.6
57.03426	3.1
58.97470	0.4
59.05004	0.8
61.02916	0.9
63.02384	0.6
65.05779	0.4
69.03432	12.0
69.79224	2.3
70.06603	0.6
71.01316	0.5
71.04990	1.5
72.08151	0.5
73.02919	1.4
78.03437	0.8
80.58676	0.4
81.03423	1.6
84.08134	1.3
85.02908	22.0
85.06525	0.4
87.04473	5.7
89.03912	1.0
90.03443	1.9
91.05491	1.1
91.93326	0.4
93.07056	0.9
97.02893	6.8
98.97564	2.3
99.00006	1.0
99.04462	0.9
101.75576	0.4
109.02894	1.5
112.02194	1.2
115.03934	4.0
116.98595	0.8
117.03376	0.5
119.04900	0.7
121.06517	1.3
126.01073	74.0
126.05521	1.9
127.01840	2.0
127.03954	3.7
127.07546	0.4
128.02629	1.9
128.98645	0.6
130.03223	2.8
131.04974	0.6
133.05005	2.6
135.04427	1.9
144.02116	100.0
145.02780	1.4
145.04942	2.4
147.04391	2.1
158.99637	0.7
163.03900	5.9
164.04218	0.9
170.99577	0.5
175.03888	1.1
177.00603	0.6
177.05493	1.2
181.04886	0.7
186.03168	1.1
189.05426	0.7
207.06569	0.8
210.03143	0.7
219.01811	1.4
223.13396	0.6
236.06248	2.9
237.02763	0.9
248.09096	0.5
272.04596	0.6
288.06299	1.7
291.03903	0.6
292.08887	0.5
306.07382	61.9
307.07697	0.5
309.15207	0.5
413.49805	0.5
438.13895	0.8
438.22116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	7.9
57.07071	4.8
60.34418	1.5
67.05505	14.7
69.07072	15.8
69.62672	2.7
69.63083	8.1
79.05496	10.2
81.07059	41.3
83.08621	9.8
91.05491	13.9
93.07049	23.0
95.08611	69.7
97.06538	2.5
97.10165	3.4
105.07030	30.2
107.08605	33.2
108.67963	1.4
109.10159	30.6
111.08013	1.5
117.07009	4.6
119.08589	53.4
119.39977	1.6
121.10155	30.3
123.11726	15.9
129.06989	2.0
131.08580	17.5
133.10139	60.6
135.11691	21.2
137.13258	17.2
143.08586	5.9
145.10129	35.8
147.11674	22.9
149.13280	18.8
151.14815	3.5
156.09317	1.9
157.10135	6.8
159.11694	24.3
161.13264	17.4
163.14848	6.8
169.10202	5.0
171.11688	6.5
173.13260	17.7
175.14832	15.3
177.16431	12.9
179.10757	2.2
183.11734	4.4
185.13269	6.4
187.14822	10.6
189.16403	35.8
189.18118	1.9
191.10753	2.0
191.17958	41.3
197.13211	2.7
199.14832	9.1
201.16386	87.2
203.17955	47.2
205.19530	3.8
211.15018	3.6
212.15678	2.0
213.16379	20.3
215.17963	8.2
217.12303	4.5
217.19487	4.8
219.17424	4.0
221.15500	2.7
225.16409	3.8
227.17982	5.2
229.19527	4.1
233.15324	2.3
239.17963	5.0
241.19556	11.4
243.21121	7.2
245.15405	5.0
247.16920	26.3
253.19566	7.0
255.21112	9.0
259.16983	10.8
261.18524	2.5
267.21042	3.1
271.17044	3.5
273.18634	2.2
279.21048	2.0
285.18472	8.7
287.19992	3.8
293.22815	2.4
299.20129	9.1
301.21750	2.6
313.21677	3.5
349.28574	2.2
353.24734	1.7
387.12906	1.6
391.33627	20.1
437.34140	100.0
438.34396	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12737	1.2
53.03944	1.9
55.05511	10.6
56.96568	5.1
57.03438	2.4
57.07071	4.7
57.14592	1.3
67.05502	25.2
69.03435	3.9
69.07069	17.4
71.04999	3.2
71.56305	1.8
73.02927	2.2
79.05484	12.4
79.05855	1.3
81.03429	4.1
81.07054	37.7
83.04993	1.7
83.08613	8.3
85.02900	8.0
89.03893	1.4
91.05476	15.1
93.07042	26.9
95.04988	3.8
95.08609	59.3
97.02875	6.7
97.06531	2.9
97.10162	4.6
98.97590	6.1
105.07035	34.6
105.07695	2.6
107.08596	46.3
109.02845	1.3
109.10159	42.5
110.51062	1.2
110.97610	1.7
111.04459	3.0
111.08154	2.9
115.05439	1.9
116.98676	1.4
117.07019	8.1
119.08583	51.9
121.06521	1.9
121.10144	31.3
123.11709	13.7
128.06229	1.5
129.07024	2.6
131.08568	21.3
133.10133	34.8
135.11694	16.5
137.05966	1.7
137.13289	4.8
143.08607	6.1
144.09372	1.7
145.02872	2.1
145.10124	37.3
147.11687	28.1
149.13269	16.9
151.14848	2.1
153.09200	1.7
155.08595	2.5
157.10121	9.4
159.11697	29.0
161.05952	1.5
161.09689	1.6
161.13277	19.9
163.11272	2.2
163.14864	8.9
165.12848	1.5
169.10170	5.4
171.11740	6.4
173.13251	20.1
175.14828	19.9
177.05536	4.5
177.16342	13.5
179.10690	2.0
181.05008	2.2
181.10170	2.2
183.11755	4.5
185.13266	5.8
187.14824	19.1
189.00725	1.5
189.16394	44.2
191.17955	23.3
193.12283	2.4
197.13327	2.5
199.11197	2.1
199.14771	9.1
201.16374	49.5
203.17947	36.3
203.19719	2.0
205.19569	4.1
211.14891	2.8
213.16394	9.7
215.17940	26.0
217.19588	5.2
219.01849	1.7
219.13902	1.6
221.15527	2.6
225.16472	2.5
227.12872	1.9
227.18042	4.4
229.19484	8.3
231.17516	2.2
235.16879	3.3
237.16365	2.5
239.17935	3.8
241.19621	5.2
243.08968	1.6
243.21149	5.7
247.16878	8.6
253.19609	3.9
255.21208	3.7
259.17081	3.2
259.20679	1.4
261.18509	1.9
267.09134	6.8
267.21259	3.5
269.22760	3.3
273.18494	2.2
281.22720	3.5
283.15561	2.3
285.10147	8.1
285.18604	4.4
287.20184	2.3
299.20190	3.1
323.10995	2.1
324.11459	2.2
325.21860	2.3
340.10858	1.7
391.33594	23.6
409.34732	2.6
419.33432	2.9
437.12546	4.5
437.25253	5.1
437.34296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48707	0.8
53.03941	3.6
55.01873	5.6
55.05512	19.5
56.96569	2.1
57.03442	5.0
57.07069	2.0
59.05010	6.7
60.56970	0.7
61.02928	1.2
65.03938	2.9
67.05506	100.0
69.03413	2.5
69.07072	8.7
69.41596	2.8
69.42011	3.4
71.01373	1.8
71.05002	5.2
71.23705	0.8
77.03941	1.0
79.05488	19.0
81.03423	9.8
81.07059	35.6
83.01357	4.3
83.04980	8.8
83.08623	14.0
84.96032	1.0
85.02898	3.6
85.06541	3.0
91.03941	0.9
91.05480	19.0
93.07042	27.0
95.04955	6.4
95.08613	21.4
97.02901	2.3
97.06537	3.2
97.10165	2.8
98.21493	1.6
105.07027	12.7
107.04952	5.9
107.08590	15.3
109.06541	4.4
109.10162	72.1
111.04456	2.5
111.08049	5.1
115.05520	1.0
117.07019	7.5
119.07810	1.6
119.08582	20.3
121.06520	2.1
121.10139	11.5
123.08067	5.1
123.11706	2.9
125.05996	0.9
125.09636	1.5
129.06953	1.3
131.08572	5.0
133.10133	9.8
135.07977	1.3
135.11681	11.2
137.09673	4.6
137.12329	0.8
137.13286	3.2
143.08591	2.6
145.10123	15.6
147.08035	2.7
147.11652	4.0
149.09633	1.2
149.13248	3.3
153.12733	3.9
155.08588	1.9
155.10669	6.2
157.10124	2.8
159.11722	3.4
161.13278	2.5
163.11185	20.2
165.66513	0.9
169.10229	1.2
171.11674	2.4
173.09645	1.9
173.11769	21.4
173.13261	3.2
175.14851	1.8
177.16412	1.6
181.12250	3.7
183.11635	1.0
185.13274	2.2
187.14854	2.3
189.16339	4.1
191.10675	3.0
191.17920	5.6
197.13187	1.1
199.14760	1.1
201.16364	10.0
203.17915	5.0
209.11769	5.7
211.14828	0.9
213.16435	3.8
219.17534	1.3
225.16403	1.8
227.12825	6.5
229.14378	1.3
241.19446	1.6
243.21136	1.0
247.16980	2.6
259.16989	2.2
267.09113	2.6
267.21011	1.1
269.17496	1.0
281.10574	1.8
285.10178	2.9
286.10623	1.0
322.11932	1.1
322.61957	2.1
324.11401	1.9
324.61835	1.9
325.11731	1.0
389.28375	1.8
391.33936	1.9
419.24051	1.1
437.25336	83.1
437.34311	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	436.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05508	0.6
56.05017	0.6
57.03432	0.3
58.58587	0.3
65.03937	0.6
67.05533	1.5
68.03128	0.3
69.03423	0.5
69.07060	0.4
69.44165	2.5
70.06578	0.9
71.04993	0.5
72.08110	0.4
73.02912	0.6
79.05479	0.5
80.58261	0.3
81.07040	0.6
83.04989	0.7
84.08146	15.2
84.25410	0.3
85.02901	2.6
86.09704	0.4
87.00790	0.5
91.05479	5.6
93.06477	0.5
93.07037	4.8
95.08609	4.2
97.02888	0.8
105.01855	1.1
105.07030	0.7
107.04953	1.3
107.08591	4.2
109.02946	0.3
109.10175	0.6
111.04454	0.6
119.04946	16.7
119.08531	0.3
121.02779	0.4
126.12794	12.4
127.03899	0.9
135.11693	7.1
137.02315	0.5
144.13840	32.0
145.04926	0.4
147.04411	100.0
148.04808	0.5
153.12758	1.3
169.04932	0.3
201.05482	1.6
229.05107	0.4
230.05048	0.4
231.05161	0.4
234.08473	0.4
237.18468	0.6
238.18802	1.2
269.52826	0.3
275.09180	4.4
290.17505	1.4
293.10242	0.7
303.04919	3.7
304.05447	11.5
326.71439	0.3
330.92917	0.4
418.15372	0.5
436.06870	2.1
436.23328	38.4
437.23450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
53.82568	2.4
55.05510	10.0
56.96563	5.0
57.03438	5.2
59.04991	3.8
61.02911	2.8
67.05508	49.6
69.03418	6.0
69.07073	14.8
70.50702	4.9
70.51035	4.0
71.04982	9.1
71.08635	4.1
79.05154	1.8
79.05499	19.9
81.03409	3.9
81.07066	39.2
83.04997	3.8
83.08619	11.2
85.02886	6.5
85.06541	3.0
91.03967	2.6
91.05483	17.1
93.07048	30.8
93.43787	2.3
95.04975	5.3
95.08610	19.4
96.08947	3.3
97.02882	5.3
97.06532	9.9
97.10133	4.3
98.97570	2.7
99.08102	2.7
105.07024	13.2
106.07327	2.8
107.08596	24.3
109.02896	2.8
109.06509	3.7
109.10149	26.7
111.04391	2.2
111.08044	5.2
117.06988	6.9
119.08620	15.2
120.08887	4.9
121.10145	10.2
123.08047	2.4
123.11689	2.6
125.09613	3.3
127.03886	2.2
129.07033	3.3
131.08569	8.3
132.08884	2.4
133.10138	15.2
134.10414	4.3
135.11708	13.6
145.10124	8.4
146.10483	3.0
147.11650	4.4
148.12030	2.7
149.13243	15.6
151.11131	3.4
157.10086	2.1
159.11702	19.4
160.12056	3.4
161.13206	7.1
163.11177	4.8
171.11656	4.7
173.11742	10.1
173.13196	4.9
177.12733	13.4
177.16420	2.6
179.14270	5.3
182.10573	2.4
183.11864	3.0
185.13234	3.4
186.13618	2.8
189.16383	4.0
190.16684	2.9
195.13785	5.7
198.13652	2.3
199.14845	2.9
201.16440	4.2
202.16733	3.7
205.30121	2.4
219.04921	2.7
227.12782	5.9
229.14337	24.6
240.18169	3.4
251.16281	3.9
267.08981	10.1
269.17499	100.0
285.10077	13.5
312.82071	2.1
322.11603	5.9
324.11490	6.2
331.10760	3.2
344.22906	3.5
351.25439	6.6
390.32349	3.7
418.26920	4.9
436.28183	6.9
436.33316	29.4
437.20123	2.6
437.25067	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	435.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.6
55.05506	23.0
56.18183	4.2
61.02914	4.2
67.05500	16.6
69.03420	10.8
69.07059	13.8
69.26067	45.2
70.09474	4.1
71.04994	24.6
72.08170	8.6
79.05493	17.1
79.35627	4.2
81.07050	46.2
83.04979	20.1
85.02892	18.9
91.05479	21.1
93.07052	32.6
95.04980	21.8
95.08610	29.8
97.02883	8.9
97.06537	20.2
98.20733	9.7
99.08077	6.8
105.07032	40.2
107.04939	14.0
107.08587	34.6
109.06549	5.4
109.10154	33.4
111.08121	4.9
117.07009	11.1
118.84136	4.6
119.08575	17.8
121.10136	43.8
123.04435	5.2
123.08044	7.7
123.11700	10.6
125.09621	14.7
127.03931	7.4
127.11192	16.3
131.08580	14.1
133.10130	78.5
135.11696	17.6
139.11157	9.0
143.10675	20.1
145.06461	7.1
145.10086	18.7
147.04428	8.8
147.11676	23.1
149.09615	6.4
149.13235	6.2
151.11198	18.4
153.12810	5.6
155.10626	6.1
159.10406	5.8
159.11714	19.4
161.13216	9.9
162.47635	4.5
163.11035	4.3
167.07045	29.0
173.05997	5.7
175.14729	4.9
177.05501	5.0
181.04958	44.2
185.04240	4.8
191.17967	5.7
201.16441	27.4
207.17566	5.8
208.60867	5.5
219.17416	41.8
233.08034	24.0
237.18480	100.0
239.84937	4.9
255.19617	7.2
271.06036	4.7
273.06561	8.0
349.03461	8.6
391.08170	11.2
392.21878	4.7
417.15363	13.6
435.10767	6.2
445.98175	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3254
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03939	2.6
55.05509	9.6
56.96571	1.8
57.07070	2.6
63.19944	1.0
65.03937	1.2
67.05506	11.9
69.03408	1.6
69.07076	13.5
69.19535	11.8
70.06583	3.7
79.05507	10.5
81.03416	2.8
81.07058	23.7
83.08618	7.3
85.02902	1.5
89.95669	1.1
91.05481	8.7
93.07053	15.1
95.04993	3.2
95.08612	33.7
95.34393	1.3
97.02897	2.5
97.06544	5.2
97.07201	0.9
97.10146	2.4
105.07036	30.9
107.04953	4.6
107.08599	24.1
109.10165	25.0
111.11726	1.3
115.05486	2.4
115.51056	1.4
115.90014	1.1
116.07057	1.1
117.06996	6.0
119.07719	1.6
119.08581	31.5
121.06517	1.2
121.10149	21.9
123.04448	1.3
123.11675	6.1
125.05908	1.4
127.03924	1.2
128.06181	1.9
129.06972	4.0
130.07796	1.4
131.08572	16.7
133.10133	19.3
135.11691	12.5
137.06075	1.9
137.09573	1.1
137.13271	3.7
141.06984	3.1
142.07768	2.1
143.08554	9.6
144.09319	1.6
145.06499	3.6
145.10115	20.1
146.10489	1.1
147.04401	1.6
147.11688	12.6
149.05965	2.1
149.09724	1.1
149.13232	8.4
155.08537	6.0
156.09219	1.4
157.10143	11.7
159.08069	2.6
159.11708	17.1
161.09616	1.5
161.13283	11.3
163.07547	2.6
163.14828	11.4
165.16348	1.1
167.07063	16.2
167.08455	2.2
169.10124	12.4
170.10936	1.2
171.11699	11.2
172.05255	1.3
173.05862	1.7
173.09782	1.1
173.13263	18.5
175.07605	1.2
175.14836	14.3
176.25890	1.2
177.09117	1.9
177.16364	9.0
181.04959	19.4
181.10114	5.4
183.11725	7.7
184.12439	1.2
185.13269	6.5
187.07492	2.6
187.14807	8.6
189.05573	1.4
189.09148	1.7
189.16394	21.9
191.10661	1.6
191.18007	3.2
193.10229	1.4
195.11728	3.9
197.13318	6.5
199.11104	1.9
199.14803	11.5
201.16396	25.8
203.17905	6.7
205.19475	5.5
207.11711	1.6
209.13300	3.6
211.14857	3.7
213.16396	13.0
215.18022	8.3
217.12326	4.0
218.05757	1.5
219.13835	1.1
221.08208	2.4
221.13330	1.4
221.15463	1.5
223.14873	2.0
223.52972	1.3
225.16382	6.6
227.17947	4.6
229.19568	1.9
233.08087	11.6
235.09572	2.0
235.14824	1.5
237.16368	9.4
239.17923	12.5
241.19562	4.8
243.13760	1.2
245.08014	1.3
245.15454	2.8
247.16943	4.3
251.18037	5.6
253.19484	5.2
257.15396	2.2
259.16971	3.4
263.09210	3.0
263.18008	1.4
265.19675	2.9
267.21155	3.2
271.17050	2.0
273.18509	3.3
279.21002	3.8
281.22623	2.3
283.16995	13.1
285.18460	7.9
293.22791	2.0
297.18527	6.0
299.20071	3.3
311.20163	2.8
319.24286	3.0
333.25430	1.3
347.27527	2.1
353.24860	3.9
365.24658	2.6
379.26385	2.7
387.14285	1.8
389.32062	21.2
391.33627	2.0
392.27222	1.5
393.27975	1.6
399.14429	1.3
403.09128	1.2
407.33438	2.2
412.15656	1.6
417.15546	8.3
417.31195	2.0
435.12946	8.2
435.32629	100.0
436.33035	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.184
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
52.96864	0.4
55.05497	0.5
69.03450	1.1
69.07073	0.5
69.83277	1.0
69.83669	1.0
70.06586	0.9
72.08138	0.7
73.71366	0.5
79.05485	0.9
80.42725	0.4
81.07094	0.6
85.02886	1.4
86.09674	0.6
91.05487	0.8
94.71345	0.5
97.02873	1.0
97.06513	0.6
98.97556	0.5
105.07043	0.6
107.04961	1.0
119.08555	0.5
127.03886	0.6
131.31412	0.5
133.10197	0.8
145.06435	0.6
147.04410	0.9
158.99762	0.4
163.03905	0.6
167.07076	3.9
181.04947	4.9
218.05658	0.6
219.17448	0.7
221.08070	0.5
233.08009	3.0
240.09468	0.7
245.94382	0.5
263.09201	0.7
272.78024	0.5
273.07535	0.7
303.14142	3.4
309.59146	0.5
323.14661	0.8
347.51340	0.4
417.15393	1.4
435.18393	100.0
436.18704	1.5
446.67590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67722	1.4
69.03404	1.8
69.45573	5.1
69.46004	5.5
74.41258	1.4
77.18987	1.3
80.90398	1.3
82.00473	1.2
85.02895	4.7
100.40305	1.5
101.00877	2.1
103.50337	1.5
119.01929	3.0
134.28526	1.7
143.01830	2.5
145.04953	2.2
157.03459	2.7
175.04594	1.7
205.05502	2.1
212.02817	1.6
223.06580	4.1
229.03212	9.3
245.05052	3.4
261.02609	1.5
264.07706	2.8
285.05713	3.0
289.07770	1.6
315.09055	1.9
317.08356	2.1
331.02655	3.0
359.07968	1.5
375.05179	8.9
387.11053	1.8
417.06369	2.7
417.11972	2.9
435.07254	60.4
435.12866	100.0
436.13110	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1289
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
51.70948	0.3
65.03944	0.5
66.63819	0.3
67.01868	0.6
67.05479	0.4
68.99804	0.8
69.03435	0.8
71.35404	0.5
73.25223	0.3
80.38687	0.3
81.03406	0.7
81.07089	0.4
85.02913	1.5
91.05487	2.9
95.04986	0.9
97.01471	0.3
97.02923	1.0
105.36180	0.3
107.04974	1.4
119.04951	7.6
121.02879	0.5
121.06496	0.6
123.04435	1.6
127.03954	0.4
145.04945	0.4
147.04420	31.3
153.01837	63.8
161.06024	0.6
167.07053	1.5
171.02907	1.1
179.03398	0.9
181.04976	2.2
189.05505	0.8
195.02820	0.8
231.06544	0.5
233.08093	1.0
255.06535	0.4
263.09280	0.4
273.07584	100.0
274.07999	1.1
278.47916	0.4
373.82285	0.3
417.15253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.129
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
53.03946	2.3
54.82209	1.2
55.05512	6.8
57.03424	1.5
65.03933	2.9
65.40261	1.1
67.05499	4.3
69.03421	5.0
69.07059	3.2
69.36013	4.7
69.36436	4.6
71.04989	2.4
72.08157	1.1
79.05490	6.2
81.03412	3.1
81.07065	3.9
83.04972	2.4
83.08607	3.8
85.02885	8.3
91.05484	5.6
93.07047	4.2
95.04958	4.0
95.08612	4.4
97.02882	4.3
97.06511	2.7
98.97552	1.3
99.04487	1.9
100.07625	1.1
100.11263	11.9
103.05458	1.5
105.07023	3.7
107.04951	10.2
107.08589	3.2
109.10137	3.3
110.03643	2.0
111.04443	3.4
116.02026	1.1
116.06232	1.3
117.06979	2.5
119.04951	8.9
119.08567	2.0
121.02887	1.3
121.06522	2.6
121.10137	3.2
122.03614	1.3
123.04434	4.3
124.05261	1.2
127.03873	2.4
128.07045	1.1
129.07027	1.6
131.04979	1.2
131.08591	3.8
133.10158	1.5
133.77332	1.2
137.05954	1.3
141.11447	1.9
145.02827	1.6
145.04964	1.5
145.06544	2.7
145.10117	2.5
147.03246	1.7
147.04413	33.4
147.05551	2.3
147.11684	2.4
148.44873	1.0
149.05983	2.0
151.03902	2.0
153.01836	69.7
157.10045	1.7
159.08000	1.6
159.11703	2.7
161.05998	2.8
161.13251	2.3
163.07635	1.4
166.93297	1.3
167.07043	23.0
171.02917	1.7
171.06522	1.7
172.05167	3.8
173.05988	3.6
175.03868	1.4
177.05484	2.9
181.04951	32.7
182.02382	1.1
182.15405	8.2
187.07608	2.5
189.05458	3.5
191.07028	4.0
191.10695	1.4
195.02905	2.4
195.06619	1.5
195.11786	1.3
200.04684	1.9
201.05501	2.0
205.08571	3.0
209.08083	1.9
209.16650	2.2
210.14941	8.0
218.05649	1.8
219.02951	1.3
219.10176	2.8
221.08138	1.9
228.09941	2.4
233.08058	14.3
243.10193	4.8
251.09138	2.4
263.09155	3.8
268.21436	1.4
273.07584	100.0
274.07849	2.0
289.06030	1.4
331.74619	2.8
353.75784	2.5
355.11859	1.6
367.11401	1.4
381.13162	1.5
387.14322	4.2
399.14154	1.9
417.15213	9.2
417.28967	2.6
426.29391	2.5
435.15009	3.8
435.20486	2.7
435.33255	2.4
446.33347	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0921
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01868	0.3
57.03159	0.3
57.03436	5.7
61.02931	2.0
65.03925	0.3
67.05490	0.3
68.99767	0.6
69.03422	0.5
69.07059	0.5
71.04974	0.4
71.55978	0.4
73.02917	15.0
75.24532	0.3
81.03401	0.4
81.07039	0.5
85.02895	0.6
86.09679	0.3
89.31411	0.3
91.05467	0.4
93.03376	0.4
93.07027	0.5
95.04978	0.4
95.08595	0.5
97.02896	0.6
97.06516	0.3
99.38388	0.3
105.07037	0.8
107.08600	0.7
109.02883	0.4
109.10168	0.4
111.00827	0.7
115.03908	1.2
119.08618	0.3
121.02894	1.3
123.04399	0.4
133.10132	1.3
137.02327	3.3
143.10701	0.3
145.06454	0.4
151.11192	0.3
153.01822	4.6
159.11758	0.4
163.03854	0.7
165.01836	2.0
173.05942	0.5
181.04948	0.7
183.02834	0.9
183.04330	0.4
184.62943	0.3
187.03819	0.3
195.02950	0.3
201.05447	1.6
201.16325	0.7
213.05519	0.4
219.06668	0.4
219.17441	0.4
228.73055	0.3
229.04959	4.6
233.08037	0.5
237.18500	0.3
247.06065	0.7
257.04431	2.8
274.04678	1.0
285.04004	1.3
295.62466	0.3
303.04984	100.0
304.05377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
57.03442	26.5
59.05002	3.1
61.02933	9.4
69.03435	50.1
69.93941	3.6
69.94341	3.3
71.01340	1.7
73.02925	45.7
81.03416	4.6
85.02911	100.0
87.04478	28.0
91.03945	4.2
97.02899	67.5
99.04489	3.5
103.03886	1.5
105.07037	9.6
109.02847	7.0
115.03938	67.0
127.03934	26.2
132.06615	1.7
133.04973	47.9
145.04967	50.1
147.08076	4.7
150.07623	11.1
163.06038	26.6
189.09096	2.2
201.09111	3.2
219.10271	1.8
223.06039	4.0
231.10170	3.9
241.07112	4.6
259.08154	8.2
266.83951	1.5
277.09058	1.6
285.13364	11.4
295.10272	6.9
358.00580	1.9
374.22040	1.5
388.31882	1.7
409.94077	1.4
434.20453	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
57.03440	25.6
60.04504	2.4
61.02919	10.0
69.03430	55.6
70.06567	2.4
70.33340	7.4
71.01356	2.0
73.02917	40.2
79.05513	3.8
81.03411	7.0
82.82421	2.0
85.02904	100.0
87.04471	33.4
91.03967	3.9
95.04937	2.4
96.66203	2.2
97.02892	74.7
99.04446	4.3
105.07033	31.4
109.02888	6.8
115.03931	82.7
119.04180	2.2
119.08594	3.5
127.03912	21.7
129.07025	2.5
133.04967	59.6
145.04956	41.4
147.08046	4.0
150.07655	10.6
158.39888	2.0
162.36766	2.1
163.06023	23.4
164.42545	2.0
181.04936	3.3
201.09076	3.5
211.09621	2.3
219.13945	2.2
231.09779	2.3
241.07007	5.0
253.39529	2.1
259.08234	7.5
262.04437	1.9
276.34164	2.3
285.13370	9.2
288.05869	3.9
295.10251	6.8
358.45462	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01873	3.2
57.03161	2.1
57.03438	42.8
60.04521	1.4
61.02927	17.0
69.03430	40.2
70.06587	2.4
71.01345	5.6
71.04990	2.2
71.53374	1.8
71.53772	1.7
73.02917	100.0
74.63045	1.2
75.57109	1.2
76.65148	1.2
79.05491	2.8
81.03407	5.2
81.03841	1.5
82.27273	1.4
85.02905	71.8
86.09728	2.6
87.04465	6.3
91.03972	3.7
91.05464	1.7
96.04535	1.3
97.02892	73.8
99.04456	3.6
105.03423	3.2
107.08609	1.4
109.02881	5.5
109.44776	1.3
115.03928	62.9
123.04420	12.9
127.03919	23.8
133.04965	15.7
144.06558	9.7
145.04955	41.6
150.07585	4.3
151.68433	1.5
157.04996	1.5
162.07622	5.7
163.06004	14.5
180.08676	5.8
199.06070	1.4
200.07094	2.1
201.07825	2.8
209.15338	2.1
210.09099	2.0
219.06581	2.9
223.06017	4.7
227.12662	2.2
233.08611	1.8
236.10733	2.4
241.07033	6.7
254.11800	5.8
259.08060	5.1
272.12830	25.5
285.09634	5.1
294.11905	3.9
295.10324	3.5
404.70209	1.4
434.18228	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
53.03945	1.1
55.01847	1.0
55.05511	6.6
56.96563	0.9
57.03439	0.8
57.07058	2.5
61.02901	0.6
61.91018	0.5
65.03944	0.9
67.05508	8.2
67.73971	0.7
68.63133	0.7
69.03433	8.2
69.07070	9.5
69.39124	4.7
71.04974	1.7
77.03885	0.7
79.05493	7.1
81.03411	1.6
81.07058	14.1
83.04971	2.2
83.08621	4.0
85.02902	2.6
85.06533	0.8
91.05473	9.2
93.07045	10.7
95.04982	3.8
95.08609	17.6
97.02878	0.9
97.06538	6.1
98.97584	3.1
99.04486	0.8
105.07036	18.1
107.04939	1.0
107.08600	16.6
109.02905	1.1
109.06529	1.1
109.10167	10.2
111.04460	1.5
115.05464	1.6
116.98637	0.8
117.07015	4.1
119.08589	24.1
120.08047	0.7
120.08932	0.7
121.09330	0.9
121.10150	10.5
123.08067	0.9
123.11703	3.0
125.05998	0.8
125.09668	0.6
128.06241	2.0
129.07011	5.0
130.07832	0.9
131.08571	11.4
133.09131	0.8
133.10133	15.2
135.04396	1.3
135.11719	5.0
137.05948	1.0
137.13245	2.0
141.06975	1.7
142.07761	3.8
143.08578	13.6
143.78526	0.7
144.09415	1.4
145.02869	1.8
145.06427	0.7
145.10129	15.1
147.07901	0.7
147.11685	10.0
149.13245	3.4
151.07477	0.8
153.01787	0.8
154.07820	0.8
155.08556	5.2
156.09361	3.0
157.06451	0.9
157.10138	16.4
158.11064	1.0
158.99672	0.8
159.11708	13.2
161.13258	12.5
163.03911	3.6
163.07643	0.8
163.14838	5.9
167.08527	4.7
168.09354	1.6
169.10120	10.8
170.10892	2.4
171.04425	2.5
171.11690	11.8
173.02359	1.7
173.13264	11.6
175.14836	13.6
177.05466	1.5
177.16394	8.3
179.08562	1.1
179.14287	0.7
181.04929	1.6
181.10098	4.3
182.10956	5.0
183.11691	8.9
184.05205	3.5
184.12450	3.2
185.09651	0.8
185.13266	7.2
187.14807	9.0
189.05550	0.7
189.16354	4.8
191.03384	0.8
193.10149	2.2
194.10963	0.9
195.08051	1.2
195.11719	4.4
196.12491	1.3
197.09502	1.0
197.13268	29.8
198.13997	0.7
199.03905	1.7
199.07547	1.1
199.11362	0.9
199.14821	25.3
201.09204	1.1
201.16357	13.0
203.17996	5.1
205.12360	0.9
207.11664	2.5
207.13528	0.7
209.13310	4.4
209.15211	0.9
211.14828	7.4
212.04680	1.9
213.09151	6.2
213.12744	2.0
213.16362	11.6
215.07031	3.0
215.17966	2.2
217.08527	0.9
217.12190	1.3
219.11732	0.7
219.13808	1.2
221.13292	2.3
223.14857	3.4
225.16370	4.9
227.17891	3.7
231.13791	1.0
231.17525	1.6
233.13333	1.1
235.14798	2.4
237.16354	9.4
238.57159	0.7
239.17902	4.6
241.08632	9.5
241.19630	1.8
245.15424	2.5
247.14757	0.8
247.17010	1.4
249.16425	2.1
251.17993	2.6
253.19553	2.2
257.15421	1.7
259.09641	5.5
259.16907	1.5
261.16382	1.1
263.17987	2.5
265.19547	2.8
271.06049	2.4
271.16888	0.9
275.17838	1.2
277.19608	2.4
279.21051	2.3
281.15421	0.7
281.22787	0.9
283.16946	4.9
285.10052	1.0
285.18643	1.3
287.05597	2.9
287.20184	1.1
289.19485	1.5
291.21158	2.2
293.22485	0.9
295.17056	0.8
297.18549	3.0
301.19547	0.7
303.21088	1.1
305.22504	1.2
309.18497	1.1
317.22617	2.4
318.10052	0.7
319.24060	0.8
323.20029	1.5
325.21667	1.9
326.66861	0.7
331.24231	2.6
335.66776	0.6
337.21530	1.0
345.25784	1.6
349.21747	0.8
351.23044	1.9
363.23242	2.6
365.24786	1.1
373.29156	1.1
377.01630	1.2
377.24802	2.4
387.30444	16.7
388.31332	0.9
389.06683	0.8
389.31989	2.5
391.26202	1.6
405.31921	3.6
415.29977	2.8
418.28726	0.8
433.15030	9.1
433.31036	100.0
434.31195	1.9
451.32202	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
54.00662	1.8
55.01846	1.9
55.05513	31.6
59.04710	3.8
59.05001	57.2
63.58650	1.8
65.03931	2.3
67.05503	15.4
69.03438	4.3
69.07066	7.8
70.70879	1.8
70.84577	4.9
71.04982	2.7
72.35023	1.8
73.06583	1.7
79.05499	14.6
79.61162	1.7
81.07054	17.4
83.04986	4.2
83.08630	3.5
85.06547	100.0
91.05485	38.1
93.07044	30.9
95.04968	6.3
95.08608	20.5
97.06549	2.7
99.08104	5.2
101.06026	2.3
103.05495	2.8
105.04507	2.1
105.07036	36.8
107.08595	19.9
109.06520	11.6
109.10172	16.3
111.08112	12.9
113.00020	20.1
115.05494	4.4
117.07035	14.6
118.61864	1.9
119.08588	59.8
121.06503	2.9
121.10148	20.4
122.07307	3.9
123.08060	10.1
125.09628	20.4
128.06215	4.7
128.84372	1.8
129.07002	7.7
130.07747	3.5
131.08563	18.4
133.10156	18.4
135.08063	6.6
135.11700	7.6
135.40707	2.1
137.09625	22.8
141.07011	3.7
142.07779	11.0
143.08554	18.4
144.09352	3.2
145.10120	24.1
147.08052	4.1
147.11697	6.7
149.09618	6.0
151.11194	29.3
153.07062	2.7
155.08569	7.1
156.09384	5.9
157.10155	23.9
158.10912	3.7
159.08095	2.5
159.11674	15.8
161.09612	5.3
163.11191	7.9
165.06987	4.2
167.08568	5.8
168.09340	5.9
169.02628	19.8
169.10121	11.5
170.10939	2.5
171.11693	18.1
173.09544	3.8
173.13245	7.1
175.11226	5.5
175.14830	2.1
177.12688	4.5
179.08575	6.4
180.09305	2.1
181.10130	5.3
182.10822	2.8
183.10120	1.7
183.11612	9.8
185.13290	7.2
187.14793	3.8
189.12746	5.9
193.10149	4.3
194.10858	5.0
195.11697	8.7
196.12404	2.0
197.13239	6.9
199.14827	4.8
201.12822	2.6
203.14326	6.6
206.10921	3.4
207.11740	5.0
208.12509	2.8
209.13277	14.4
211.14815	7.2
213.12830	2.1
215.14278	6.3
220.12428	2.5
221.13101	4.3
221.64902	1.8
223.14857	6.0
225.16399	4.0
233.13312	2.3
235.14775	4.1
265.19489	2.2
275.19983	2.6
291.21289	2.4
310.73859	2.0
317.22470	2.1
323.24203	2.0
341.24707	4.9
353.23508	1.9
354.25613	3.4
401.28128	2.5
433.31201	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	433.2951
Annotation	Plakortolide N
Peak:m/z	Relative Intensity
50.86601	4.2
53.03936	5.0
55.05502	13.9
57.03424	18.0
57.78607	5.0
58.61695	4.4
67.05511	32.0
69.03433	8.1
69.07071	12.4
70.69675	9.4
70.70008	5.8
71.04988	16.7
79.05506	25.4
81.07063	45.6
83.04975	6.2
83.08609	6.6
85.06541	8.3
91.05476	32.9
93.07042	51.4
93.88132	4.2
95.04986	4.6
95.08608	41.9
97.06514	6.9
97.10152	6.6
105.07039	78.1
107.04927	4.5
107.08603	47.7
109.06520	18.4
109.10175	24.5
111.08109	5.0
117.05473	43.3
117.06995	16.0
119.08588	47.1
121.10169	28.0
123.08097	10.0
123.11637	5.7
125.09628	9.2
129.06999	6.4
131.08571	34.5
133.10139	63.1
135.08031	6.7
135.11749	24.2
143.08527	19.5
144.09323	13.7
145.10144	47.1
147.08031	6.3
147.11691	65.2
149.13240	19.3
155.08560	5.6
157.10081	22.0
159.11705	100.0
161.13348	22.0
163.11142	16.9
163.14867	10.1
165.12703	13.4
169.10048	6.8
171.11688	13.2
173.13318	26.7
175.11211	8.8
177.12762	59.2
183.11613	5.4
185.13217	9.8
187.14803	9.8
189.12662	5.5
191.14264	17.7
197.13306	7.7
199.14810	11.2
201.12776	5.8
211.14932	6.3
213.16437	6.2
215.14307	5.5
219.13782	10.8
221.15527	5.5
223.14717	6.3
233.15433	10.4
281.24789	20.8
341.21094	5.4
361.25162	9.1
379.26212	31.2
397.27274	64.1
398.51132	5.4
415.28558	27.4
433.30695	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	433.2949
Annotation	Plakortolide N
Peak:m/z	Relative Intensity
55.05506	12.3
67.05485	16.8
69.07062	9.0
71.04996	14.8
71.56380	9.9
79.05478	24.1
79.55445	7.7
81.07050	43.9
85.02898	8.5
85.06570	5.9
91.05473	35.4
93.07043	44.1
95.04977	6.4
95.08613	33.3
97.06534	9.3
98.98470	7.0
105.07030	50.7
107.04963	14.1
107.08599	45.1
109.06539	34.7
109.10116	13.4
117.07002	14.8
119.08566	37.6
121.10127	21.2
122.64975	5.4
123.08076	6.5
129.06964	9.2
131.08556	30.0
133.10152	47.3
135.08035	8.9
135.11684	22.1
137.09561	6.9
140.21506	5.5
143.08534	14.9
144.09325	8.4
145.10143	55.6
147.08107	6.1
147.11705	60.6
149.13257	12.5
151.11131	7.4
157.10121	23.4
159.11690	100.0
161.13251	24.5
163.04083	6.1
163.11110	8.6
165.12807	8.9
171.11726	10.7
173.13248	35.0
175.11125	13.8
177.12744	68.2
181.05243	6.3
183.11560	8.4
189.12785	9.7
191.14323	21.0
195.11671	8.7
199.14847	9.4
201.16403	9.6
211.14748	6.3
215.14554	5.7
219.13759	11.7
225.16330	6.6
237.14801	8.2
291.34418	5.8
379.26166	28.2
389.93222	6.5
397.27362	52.7
397.36755	6.2
415.28290	17.2
433.15454	5.7
433.30832	14.4
433.66644	16.7
435.70407	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	433.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72839	0.3
64.59077	0.3
69.48195	2.6
70.06577	0.3
72.08142	0.9
75.90085	0.3
84.18302	0.3
84.41884	0.3
85.02903	0.5
86.09696	0.5
91.05477	0.7
91.21968	0.3
96.27071	0.3
97.02972	0.4
115.03987	0.3
119.04944	0.9
133.04988	0.4
147.04416	1.1
172.52017	0.3
175.03891	0.9
189.05473	1.4
207.06520	0.5
234.98994	0.4
259.38181	0.3
301.12582	4.0
335.09433	2.5
433.16827	100.0
434.16641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01878	8.6
55.05513	24.3
57.03443	6.2
59.05012	1.2
65.03942	2.4
67.05508	31.4
69.03429	4.5
69.07068	10.2
70.51540	1.5
70.51899	2.0
71.04993	3.0
73.02905	0.8
76.93140	0.7
77.03925	1.1
79.05497	38.8
81.03429	7.9
81.07061	30.0
83.04964	4.6
83.08624	13.6
85.02888	1.0
85.06568	2.0
91.05487	31.6
93.07049	27.7
93.62206	0.8
95.04973	26.2
95.08617	15.0
97.02908	0.8
97.06531	4.5
97.10177	18.6
99.04471	0.9
99.08101	1.0
103.05495	2.1
105.03391	2.0
105.04527	1.1
105.07038	26.6
107.04958	11.9
107.08597	18.8
107.82083	0.9
109.02845	1.0
109.06534	5.3
109.10162	6.8
111.08110	3.0
115.05479	2.8
117.07018	13.9
118.97472	1.0
119.04948	3.6
119.08588	13.4
121.06509	13.3
121.10147	12.6
123.04461	1.1
123.08080	6.0
125.09628	16.0
128.06194	4.1
129.05487	2.3
129.07018	20.5
130.07780	1.0
131.04956	10.0
131.08574	22.1
133.06493	7.9
133.10135	6.7
135.04460	1.5
135.08087	7.9
135.11729	2.5
137.06110	0.9
137.09633	1.9
141.06996	8.6
142.07805	2.3
143.08583	13.6
145.06496	20.1
145.10135	11.1
147.04379	1.0
147.08060	7.0
147.11667	4.5
149.09621	22.2
149.10762	1.5
151.11198	1.0
153.07048	1.8
153.09085	2.2
154.07756	2.4
155.08563	9.3
156.09381	1.5
157.06540	4.7
157.10135	6.1
159.08066	6.4
159.11697	7.0
161.05994	1.0
161.09660	5.6
161.13309	2.9
163.11203	4.8
167.08542	4.1
168.09413	1.4
169.06485	2.0
169.10123	11.5
171.08083	3.9
171.10262	1.6
171.11656	14.9
173.09615	7.1
173.13309	2.2
175.11203	3.8
177.09036	1.0
177.12794	2.2
179.08537	2.0
181.10207	3.4
183.08113	1.8
183.11682	6.1
185.09679	4.4
185.13322	3.0
187.11188	7.6
189.09148	3.4
189.11235	8.0
189.12794	11.1
193.10385	2.0
193.12337	2.8
195.11736	3.6
197.09651	3.8
197.13303	3.0
199.11243	4.1
199.14851	1.6
201.12778	3.3
203.10684	1.9
203.14395	1.4
205.12251	6.0
207.11716	1.2
209.13380	1.8
211.11246	6.0
211.14865	1.8
212.11948	1.3
213.12762	3.2
215.10722	2.4
215.14392	1.6
217.12238	1.1
219.13777	1.1
221.13451	1.8
223.11328	1.4
223.13332	5.2
225.12788	3.1
227.12723	5.1
229.12206	5.0
231.13817	1.5
239.14340	1.1
243.13911	4.2
245.13625	1.6
247.13280	1.9
249.14911	3.0
257.15439	3.0
261.14886	1.7
267.15952	3.5
273.14886	2.5
275.16306	1.4
277.19254	1.1
277.21954	1.3
295.20685	2.7
305.19232	2.2
313.18484	1.2
313.21600	5.4
321.17148	2.0
323.20056	22.3
331.22696	1.1
335.18546	2.2
341.21124	93.4
359.22177	8.5
377.23401	2.8
379.22592	1.7
389.23059	0.9
397.23724	2.8
415.24817	45.5
433.25882	100.0
433.30630	3.7
459.71246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19203	0.5
53.03941	3.0
54.21817	0.5
55.01864	1.4
55.05502	1.6
56.96555	0.6
57.03423	0.7
61.09568	0.4
63.02361	0.5
65.03926	1.0
67.05503	8.6
69.03406	1.6
69.07048	2.1
76.99551	0.4
77.03923	1.3
79.05496	16.4
81.03405	1.4
81.07050	1.6
83.04991	3.4
85.02872	0.5
89.03410	0.8
89.03920	9.1
91.05470	1.8
93.07030	1.5
93.18162	0.5
95.04974	8.7
95.08585	1.9
96.05737	1.5
97.06521	1.7
98.97598	1.0
99.04491	0.4
103.05445	1.1
105.03408	1.0
105.04508	1.2
105.07023	0.7
107.04947	2.4
107.08593	1.4
109.10137	0.6
110.64418	0.4
111.04466	0.7
115.05457	1.7
117.02631	0.9
117.03391	10.3
117.07021	0.6
119.08602	1.0
121.10118	1.2
125.09582	0.6
128.06210	0.9
129.06995	1.8
131.04932	1.6
131.08556	0.9
133.02837	1.7
133.10120	1.1
134.03647	5.4
135.04427	11.8
135.11682	0.7
139.03894	0.6
141.06998	0.8
142.07785	1.1
143.04900	1.2
143.08600	0.9
145.01784	0.7
145.02844	10.4
145.10121	1.2
147.04468	1.5
147.11674	1.1
149.09601	0.5
152.06203	1.8
153.06946	0.6
155.08438	0.5
156.05702	1.8
157.06483	1.8
157.10088	1.5
159.04395	2.1
159.11658	0.9
160.05211	0.5
161.02353	1.3
162.03098	1.0
163.03905	33.0
165.07039	0.9
166.07791	0.6
167.08540	2.5
169.06476	0.9
170.07164	1.3
171.04483	1.0
171.08000	1.2
171.11667	0.9
173.13248	0.7
175.11317	0.7
175.14786	0.5
177.06969	0.7
181.04901	0.6
181.06462	1.0
184.05151	2.5
185.09634	2.1
186.05550	0.8
191.03349	0.8
195.08072	4.3
197.05917	0.8
198.06688	1.3
199.03893	1.4
199.07521	0.9
213.09090	3.2
217.04948	2.8
219.01825	0.6
223.07509	1.2
235.99944	0.9
237.00659	0.9
241.08594	100.0
242.08949	1.2
254.01028	1.9
259.09616	3.3
279.03687	0.9
308.95563	0.6
321.04919	0.7
384.55463	0.5
407.77820	0.6
410.05188	1.6
414.95978	0.9
415.13867	0.7
415.24509	0.7
432.96869	1.5
433.14905	4.8
433.25916	1.0
433.31238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
53.03944	4.3
55.01859	2.4
55.05506	4.0
57.03435	1.4
65.03921	1.5
67.05503	10.3
67.49457	0.6
67.82484	0.5
69.03419	2.0
69.07054	2.1
69.27744	2.1
69.28168	2.7
74.29932	0.5
77.03918	1.3
79.05490	22.3
80.06261	1.1
81.03404	1.3
81.07054	4.3
83.04979	7.2
83.08601	1.6
85.02888	1.5
89.03913	8.1
91.05483	4.9
93.07038	3.0
95.04971	12.5
95.08587	3.0
96.05734	1.4
97.02873	0.9
97.06538	4.7
97.10141	1.5
103.05482	1.3
105.03359	0.9
105.04504	1.7
105.07054	2.9
107.04951	2.9
107.08574	2.5
109.06496	1.0
109.10154	1.1
111.04430	1.3
115.05445	1.2
116.54614	0.5
117.03381	10.3
117.06991	1.5
119.04891	1.0
119.08561	2.7
121.06503	1.3
121.10141	1.5
123.04463	0.8
125.09597	1.1
127.03928	0.5
127.91911	0.5
128.06192	1.5
129.06970	2.6
131.04915	1.7
131.08540	2.3
133.02831	2.2
133.04707	0.5
133.10150	1.5
134.03639	7.2
135.04413	13.1
135.08044	1.2
135.11638	0.9
141.06989	1.8
142.07742	1.8
143.04945	1.0
143.08551	2.4
145.01758	1.0
145.02847	14.2
145.03992	0.8
145.06477	1.9
145.10088	1.5
147.04404	1.7
147.08000	0.7
149.09608	2.2
151.07446	0.6
152.06241	1.2
153.06927	0.7
155.04849	0.6
155.08575	0.9
156.05684	1.7
157.06465	1.9
157.10149	2.0
159.04413	2.3
159.11687	2.6
161.02321	1.8
162.03082	1.0
163.03900	40.8
165.06978	1.4
167.07178	0.9
167.08508	3.8
169.06450	0.6
169.10112	1.3
170.07219	1.6
171.04411	1.1
171.08037	1.4
171.11697	2.1
173.02315	2.1
173.09581	1.0
173.13304	0.8
181.04964	0.9
181.06493	0.7
183.04480	0.7
183.11691	1.6
184.05188	2.6
184.06697	0.5
185.05957	0.8
185.09622	2.1
185.13217	0.7
186.05536	1.3
187.03897	0.7
189.05518	1.6
195.08133	3.5
197.05992	0.7
197.09525	0.6
198.06773	1.5
199.03874	1.2
199.07565	1.2
207.13716	0.8
212.04671	3.4
213.09056	4.1
215.07010	2.1
217.04948	2.4
223.07567	1.3
235.99937	0.7
241.08588	100.0
242.08885	1.7
259.09705	4.6
301.41528	0.6
323.19965	1.1
335.02014	0.7
341.21048	5.4
359.22058	1.9
399.15942	0.7
415.24747	3.0
433.09576	1.2
433.14859	4.6
433.25891	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	433.1474
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.05492	8.8
56.96556	4.7
63.04237	2.1
67.05505	2.8
69.03435	3.3
69.07047	2.0
70.83807	6.5
71.04987	3.1
79.05474	2.7
81.07040	5.0
83.04957	3.5
84.08141	2.1
85.02898	6.8
86.09703	7.2
87.72615	2.2
91.05460	2.7
93.07040	6.4
95.04961	4.6
95.08586	2.6
97.02897	3.9
97.06529	4.3
98.97588	18.1
105.06999	3.8
107.08628	4.0
109.02808	2.8
110.97565	3.9
116.98645	3.6
121.10173	2.8
127.03934	2.1
128.98578	5.2
133.10147	3.8
147.11641	4.5
149.09537	3.6
158.99617	4.5
167.10655	5.0
177.00743	3.1
181.04971	4.5
185.11844	3.9
215.06984	3.3
217.07263	9.3
217.15854	5.8
219.01750	6.7
220.08214	2.4
235.16974	6.4
237.02771	7.8
241.08490	3.7
253.18018	7.9
259.09708	3.5
301.09528	6.3
317.08258	3.0
319.10583	8.5
343.79205	2.2
352.16534	3.7
403.14005	2.7
433.14536	100.0
433.20282	23.1
458.20340	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03942	0.4
55.05506	0.9
57.03440	8.5
58.17776	0.3
59.95219	0.3
61.02933	0.7
64.97882	0.3
67.05507	0.6
68.28962	0.3
68.99799	0.7
69.03401	0.6
69.07056	0.7
69.61837	2.1
70.06574	0.3
71.04978	0.4
73.02925	3.2
75.04485	26.8
79.05477	1.1
81.03419	0.5
81.07047	0.8
83.04958	1.1
83.08598	0.4
83.46980	0.3
85.02900	3.0
85.06527	0.3
91.05486	0.8
93.07026	0.8
95.04966	0.5
95.08591	0.5
97.02885	0.6
97.06536	1.2
100.11266	0.4
105.07027	0.5
107.04966	0.6
107.08617	0.4
109.02877	0.4
109.10159	0.6
111.00825	0.4
121.02882	2.6
122.66037	0.3
127.03974	0.5
129.06972	0.3
132.61476	0.3
133.02878	0.4
133.10104	1.1
137.02324	1.0
143.08463	0.4
143.39940	0.4
145.06543	0.6
147.04370	0.5
151.11197	0.7
153.01848	3.4
157.06516	0.8
163.03940	0.6
165.01859	1.5
173.02390	0.6
181.05016	0.8
181.08688	0.4
183.02910	0.6
185.05981	0.5
203.07173	0.3
204.10699	0.4
213.05479	1.4
215.07193	0.6
231.06493	0.7
233.08180	0.6
241.04927	1.1
241.08588	0.6
246.64087	0.4
247.14467	0.7
253.14229	0.3
258.05228	1.3
259.09647	0.8
267.09027	0.6
271.15433	0.4
285.10129	1.3
287.05511	100.0
288.05859	1.2
341.12527	0.4
403.13513	0.5
432.76477	4.2
433.15048	2.1
433.20358	0.7
433.26508	1.3
454.86646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
57.03441	3.3
65.03925	0.6
67.05484	0.8
68.99785	0.8
69.03421	0.7
70.32434	0.9
70.32787	1.6
71.01347	0.5
71.04997	25.5
75.04462	0.7
79.05483	0.8
79.65106	0.4
81.03429	0.6
83.05025	0.6
85.02911	25.1
86.09674	1.0
91.05428	0.5
93.07041	0.9
95.04987	0.8
97.72619	0.5
105.06979	0.5
111.00793	1.0
111.04440	1.1
118.09771	0.5
121.02917	2.6
128.06221	0.5
129.05470	6.7
129.06989	0.5
133.02867	1.0
133.10133	0.8
143.08424	0.5
147.04442	0.5
147.06490	0.9
153.01817	4.2
157.82587	0.4
160.05208	1.5
161.05983	4.6
165.01826	1.5
167.08525	0.5
167.47694	0.4
169.06459	0.9
185.05940	0.8
189.09093	4.4
195.08141	0.6
197.06039	1.0
200.04730	1.4
207.56850	0.5
213.05527	1.4
213.09172	1.5
215.07066	4.1
217.06874	1.0
217.08618	1.5
226.06398	0.5
235.16769	0.5
241.08582	2.8
258.05319	0.8
259.09717	3.1
274.57986	0.5
287.05511	100.0
288.05957	0.7
299.05466	0.8
391.14694	0.5
433.14905	2.2
438.54102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.01871	0.7
55.05495	0.5
57.03438	3.6
61.02928	0.4
67.05486	0.6
68.99785	0.9
69.03423	0.7
70.79717	0.5
70.80051	0.9
71.04994	26.3
71.99891	0.4
72.08146	0.4
73.02907	0.8
75.04462	0.9
81.07040	0.6
83.04971	0.9
85.02908	26.6
86.09701	1.1
87.04455	0.9
93.29742	0.4
95.04967	1.0
98.20888	0.4
99.01210	0.4
105.03335	0.6
105.07014	0.8
107.08574	0.5
109.10097	0.7
111.04441	1.6
119.08564	0.5
121.02876	1.9
123.87046	0.4
127.03930	0.4
129.05484	6.3
131.08618	0.6
137.02345	0.9
141.07045	0.6
145.06493	0.4
147.04382	0.7
147.06529	1.0
153.01874	3.2
156.96997	0.4
157.06424	0.5
160.05225	1.6
161.05992	3.5
165.01848	1.7
167.08556	0.4
169.06482	1.8
171.04443	0.5
181.05083	0.6
189.09090	3.2
195.08040	0.8
200.04671	0.8
213.05501	1.5
213.09088	1.1
215.07083	3.2
217.06874	0.9
217.08699	1.2
226.06435	0.5
231.06488	0.6
233.08282	0.5
241.04926	0.9
241.08606	2.6
258.05426	0.6
259.09714	3.0
287.05505	100.0
288.06046	0.7
299.05453	0.5
302.15140	0.5
309.07687	0.6
329.06525	1.2
353.53864	0.5
433.14789	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.1
56.05061	1.9
56.06662	1.9
57.03464	2.2
61.22843	1.9
61.83222	1.9
67.05489	8.3
69.03426	2.5
70.06584	3.2
71.55283	2.4
72.08148	5.7
79.05475	2.6
81.03412	2.0
81.07059	2.8
84.04508	3.3
84.08154	2.8
85.02895	3.8
85.06535	6.8
86.09710	12.6
87.10021	2.8
90.27861	2.2
91.05448	2.6
93.07001	3.5
95.08613	49.2
97.02888	4.7
98.97585	3.8
105.07005	4.1
107.08575	6.3
109.10123	2.0
113.06013	9.2
119.08596	9.7
121.06506	2.2
121.10117	3.3
123.08042	19.8
131.07446	2.0
131.08530	2.7
135.11769	9.6
137.09676	2.8
147.11708	4.8
148.07578	2.2
149.09613	22.5
151.14772	2.5
161.13289	9.6
163.11169	6.4
165.12732	4.9
176.76926	2.2
189.12752	11.4
197.13280	2.0
207.13806	100.0
221.13336	1.9
225.14847	9.2
235.09712	4.3
255.14687	2.5
270.11258	6.2
283.30035	2.5
312.02008	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12927	2.2
54.95211	2.3
55.05510	5.8
55.49137	2.1
57.07083	28.9
67.05505	6.2
69.07065	10.1
70.52177	4.7
71.08633	20.0
75.92125	2.4
76.16392	2.4
81.07059	9.8
83.04977	3.1
83.08625	6.0
85.10187	11.0
91.05508	2.8
93.07059	6.6
95.08611	9.2
97.10171	4.3
109.06517	4.3
109.10163	4.3
119.08581	4.6
121.06525	3.2
121.81395	2.4
123.08121	3.7
125.13214	3.1
130.86853	2.2
131.08597	2.4
135.08055	3.8
137.05975	18.7
139.07550	4.9
143.08557	2.6
147.07986	3.0
149.05995	8.5
151.07555	39.0
159.08075	2.6
161.06023	5.7
161.09590	3.2
165.05502	11.4
165.09102	16.5
167.07053	100.0
171.72394	2.2
175.07549	6.0
175.11237	3.0
177.09097	5.6
179.07039	4.9
181.08594	3.6
189.09221	11.0
191.06885	2.2
193.08601	11.2
203.10728	7.4
207.10181	11.3
217.12283	5.0
221.11781	7.2
231.13864	2.9
235.13358	3.7
413.33936	6.1
431.35114	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.9
57.07067	1.8
62.75774	1.9
67.05501	7.6
70.78949	2.8
70.79288	4.2
72.08143	2.1
81.03403	2.6
81.07052	2.4
85.06528	4.4
86.09712	4.0
89.06011	1.8
91.05484	3.6
95.08608	43.6
98.97559	1.9
101.33867	1.8
105.07038	5.3
107.08572	5.4
107.79438	2.2
109.10176	2.7
113.06001	5.8
119.08555	11.2
121.10134	3.1
123.08086	13.1
127.03709	2.2
133.06531	2.2
135.11703	8.5
136.07588	2.8
147.04454	3.0
147.11671	4.7
149.09592	22.9
151.14832	2.7
161.13280	7.4
163.11142	5.5
165.12738	4.8
189.12733	12.9
202.65562	1.9
207.13805	100.0
224.40347	2.0
225.14854	8.9
226.89737	1.9
265.92847	1.8
270.11282	10.6
285.17029	2.6
319.45435	2.1
432.17026	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	431.3156
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
52.29654	3.1
53.03928	4.5
55.05506	13.7
56.96558	6.6
57.03415	3.4
57.07052	2.9
60.62587	2.9
65.03958	3.9
67.05505	38.0
69.07076	26.1
70.73055	6.0
71.04984	19.8
79.05486	33.1
81.07056	64.4
82.56017	3.1
83.04993	5.1
83.08604	10.4
85.02897	9.1
85.06540	15.2
91.05482	38.9
93.07041	69.9
95.04929	3.9
95.08603	76.0
97.06541	10.4
98.97584	12.4
99.04423	3.6
105.07028	87.2
107.08589	74.9
109.06505	6.0
109.10153	39.4
111.04440	3.1
111.08083	8.5
116.98604	3.5
117.07005	21.8
119.08576	79.9
121.06570	3.5
121.10146	50.0
123.08092	13.7
123.11701	10.1
124.99111	3.5
129.06985	14.3
129.09142	4.7
131.08563	45.4
133.06442	4.5
133.10126	53.7
135.08011	5.5
135.11690	36.5
137.09662	3.7
137.13274	4.3
143.08551	22.0
144.09294	6.1
145.10118	62.7
147.11687	58.3
148.11945	3.2
149.09546	6.7
149.13254	36.5
151.07556	3.6
151.11122	3.8
153.09140	5.3
157.10133	28.5
159.11694	100.0
161.09624	8.5
161.13268	39.3
163.11189	11.8
163.14804	6.8
165.12761	6.3
167.10612	4.0
169.08591	10.9
169.09995	3.8
171.11739	15.8
173.13220	34.1
175.11279	14.0
175.14804	20.0
177.12726	30.1
179.10623	5.7
179.14304	4.0
181.12198	9.0
183.11662	4.4
185.13229	22.3
186.99147	5.3
187.11217	3.5
187.14835	22.4
189.12766	10.1
189.16350	8.7
191.14326	10.2
191.24821	4.2
193.12201	5.4
195.13823	4.0
197.13271	6.9
199.14813	12.9
201.16391	10.5
203.14308	3.9
203.17953	9.6
205.15871	6.8
207.13785	4.5
209.15427	4.9
211.14836	6.9
213.16353	7.3
215.17830	3.3
217.15941	3.8
219.13811	4.8
219.17436	4.5
221.15363	8.9
223.16882	3.5
225.16469	5.5
227.17828	4.4
229.07422	6.8
231.17422	3.6
233.15279	4.8
235.16960	6.9
247.16879	8.4
249.18539	6.5
253.19586	4.9
259.16754	3.2
281.22644	3.4
291.00436	3.4
329.24817	20.3
343.01633	3.4
346.98584	3.0
347.25674	8.8
377.23856	3.2
377.28406	12.2
383.29379	9.0
395.29495	45.7
401.30588	5.0
413.30487	87.8
413.35870	6.5
431.31564	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	431.2792
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
55.05504	13.9
57.03438	3.7
65.03965	3.9
67.05506	25.1
69.07082	17.4
69.85944	15.1
71.04984	14.1
78.25282	4.0
79.05482	30.0
81.07056	57.5
83.04975	7.7
83.08608	4.0
85.02892	10.3
85.06535	16.7
91.05471	39.8
93.07044	67.1
95.04993	5.7
95.08608	64.7
95.14492	3.5
97.06541	6.7
99.04474	6.9
105.07029	85.4
107.08596	80.2
109.06492	20.0
109.10155	34.3
111.08087	9.8
117.07004	19.9
119.08585	82.4
121.06511	10.4
121.10140	42.4
123.08067	14.5
123.11687	4.3
129.07024	9.9
130.07817	3.8
131.08585	38.4
133.06494	5.7
133.10126	73.7
135.08044	8.6
135.11685	25.3
137.09621	9.6
139.07497	4.2
142.07774	6.3
143.00218	4.5
143.08557	26.0
144.09265	7.3
145.10121	61.6
147.08055	15.1
147.11691	100.0
149.09598	9.0
149.13237	18.4
151.11229	5.5
153.09065	5.1
156.09381	4.1
157.10149	27.9
159.11688	81.7
161.09610	14.2
161.13278	32.5
163.11169	20.7
163.14798	5.1
165.09114	5.1
165.12766	8.8
167.10666	8.6
169.08733	6.2
169.10144	11.0
171.11688	24.9
173.09613	9.7
173.13258	32.3
175.11206	22.5
175.14856	14.8
177.12782	21.7
181.10167	7.2
181.12244	8.4
183.11696	15.7
185.13281	15.5
187.11200	8.8
187.14925	9.9
189.12788	41.3
189.16397	4.2
191.14343	10.3
193.12259	21.1
195.11754	4.4
195.13666	4.9
197.13228	10.2
199.14957	6.6
201.12741	11.8
201.16385	5.9
203.14282	7.2
205.12180	5.7
205.15846	4.9
207.11885	6.4
207.13818	59.7
209.13316	4.8
211.14832	4.0
213.16389	7.8
215.14326	8.4
217.15936	4.4
219.13831	16.6
221.15379	9.6
229.07393	4.6
231.13737	5.9
243.17419	4.0
245.15398	5.1
249.18494	5.5
253.19490	4.1
267.17383	3.9
275.17810	4.2
295.20364	7.0
313.21661	7.7
329.24551	6.6
335.23648	11.2
349.25146	4.6
353.24716	24.9
359.23691	8.5
367.26288	12.0
371.25885	34.3
377.24619	28.7
395.25427	54.6
395.29691	13.2
413.26755	40.5
413.30740	23.2
431.18539	10.4
431.31369	15.1
449.35263	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3159
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
55.05505	11.8
56.96564	4.3
57.03432	2.9
57.07056	2.8
64.54932	1.8
67.05506	30.6
67.83426	2.0
69.03429	2.4
69.06768	2.1
69.07071	19.8
69.85554	10.8
71.04704	1.7
71.04999	17.4
73.02908	2.0
79.05499	30.3
81.03400	3.1
81.06595	3.9
81.07063	64.6
83.05000	4.2
83.08617	11.7
85.02893	8.7
85.06539	7.5
91.05483	36.4
93.07047	64.4
95.04961	6.2
95.08613	72.8
96.46777	2.0
97.06535	7.8
99.04380	3.1
101.00878	2.5
105.07040	77.4
107.08598	72.6
109.06517	5.1
109.10162	29.0
111.08073	6.6
117.07000	21.7
119.08594	65.3
121.06542	4.6
121.10146	52.9
123.08067	9.5
123.11761	10.1
125.09669	2.2
128.06151	2.9
129.06996	9.1
129.09149	3.1
130.07823	3.3
131.08568	35.2
133.06499	2.9
133.10136	46.2
135.08109	4.4
135.11693	29.9
137.09602	5.8
142.07765	3.1
143.08563	13.8
144.09325	6.4
145.03494	2.6
145.10132	59.7
145.11298	3.1
147.08032	3.4
147.11688	50.4
149.09610	9.4
149.13264	32.8
151.11169	3.3
153.09035	7.1
155.08556	3.7
156.09286	3.1
157.10130	29.9
159.11702	100.0
161.09621	9.6
161.13275	33.2
163.11192	9.6
163.14828	8.6
165.12782	5.4
167.10684	7.6
169.08586	9.6
169.10136	7.2
170.10782	2.4
171.11694	16.6
173.13264	28.5
175.11206	8.7
175.14859	14.4
177.12775	26.8
179.10637	2.8
181.12234	8.4
183.10146	3.5
183.11703	5.5
185.13258	19.3
187.11070	3.1
187.14828	14.7
189.02397	2.1
189.12723	6.9
189.16347	7.3
191.14337	13.5
193.12212	4.1
193.15915	2.8
195.13795	7.3
197.13226	6.2
199.14790	11.1
201.16434	11.9
203.14293	6.1
203.17998	3.6
203.33379	2.7
205.15860	7.6
207.11862	3.3
207.13832	4.8
209.13408	2.8
209.15396	5.3
211.14816	7.2
213.02522	3.3
213.16327	6.4
215.17960	3.0
217.15852	7.3
219.13838	4.2
219.17305	3.0
221.15346	5.6
223.17021	2.9
225.16406	3.3
227.17973	4.4
229.07472	7.4
229.16020	2.8
231.03505	2.9
231.17413	3.7
233.15266	4.5
233.18945	2.4
235.16940	8.0
239.17999	3.9
247.08485	3.3
247.16920	6.7
249.18504	6.2
265.17825	2.6
267.21198	3.1
285.09875	3.6
289.21555	3.7
311.23703	2.9
329.24738	22.8
331.26334	2.9
337.25000	2.2
340.24661	2.1
347.25745	7.4
365.28278	2.7
377.28284	8.3
383.29364	9.3
395.29532	45.2
401.30600	5.4
413.30551	96.7
431.31799	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.6
55.01875	3.7
55.05509	11.8
56.96581	1.7
57.03436	18.6
61.02929	17.4
65.03936	2.0
67.05506	36.7
69.03432	23.3
69.07063	13.6
69.57691	4.3
69.58107	6.5
71.01358	2.9
71.04981	7.1
71.62115	1.4
73.02924	8.8
73.95934	1.4
79.05492	26.8
81.03414	25.6
81.07056	59.1
81.07533	3.5
83.04977	10.3
83.08624	8.8
85.02910	23.5
85.06531	2.6
91.03941	8.1
91.05483	14.2
93.07041	40.1
95.04964	6.4
95.08606	17.0
97.02895	22.0
97.06539	9.1
97.10186	2.2
98.97594	2.3
99.04464	5.8
99.08091	3.0
101.02396	3.3
103.03932	3.0
105.07029	12.1
107.04946	3.4
107.08589	21.0
109.02869	10.2
109.06513	2.8
109.08172	1.7
109.10149	6.9
111.04446	3.3
111.08089	6.8
117.07027	7.2
119.08614	8.1
120.58421	1.6
121.06578	1.8
121.10155	18.8
123.11673	2.4
125.09657	2.8
127.03925	13.7
128.69534	1.5
129.03366	4.5
129.05484	3.9
129.06992	1.9
131.08549	9.3
133.06471	2.8
133.10118	7.5
133.84309	1.8
135.04356	2.3
135.08073	2.0
135.11725	8.9
136.07584	5.7
137.06041	1.6
137.09660	2.3
141.06989	2.3
143.08568	2.4
145.04935	4.2
145.10129	4.4
147.04349	2.5
147.11678	3.7
149.13249	30.7
156.09329	1.7
159.11685	17.5
161.06012	3.1
161.13266	3.1
164.07121	4.3
169.10135	1.8
171.11688	2.4
173.13348	2.2
177.12770	12.3
183.06653	2.9
189.05476	29.2
189.07060	2.9
195.13805	22.2
197.13329	2.1
199.14897	2.2
201.07439	2.6
213.14792	2.5
219.13809	3.1
221.63861	1.5
226.44115	2.0
261.14972	1.9
265.08356	1.7
269.17474	100.0
297.17017	3.2
311.18430	2.4
321.07562	4.0
339.18076	2.0
353.10431	2.0
365.19418	1.7
377.19760	2.2
395.20645	1.9
413.21838	6.6
431.13660	3.1
431.22552	3.1
431.29208	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	19.6
61.02919	5.8
67.05504	40.0
69.03423	7.9
69.07039	19.0
69.19765	12.2
69.20180	42.1
71.04994	38.3
76.90986	4.7
79.05497	46.2
81.03418	9.3
81.07061	67.6
83.04958	6.8
85.02885	6.8
85.06532	19.7
91.05480	46.7
93.07040	78.6
95.04944	8.1
95.08596	61.1
96.74673	5.0
97.02908	8.4
97.06528	14.5
98.21592	9.2
99.04462	9.4
101.06035	10.4
105.07038	92.2
107.04946	5.3
107.08595	66.2
109.06513	9.9
109.10161	40.4
111.04460	8.0
111.08031	8.4
116.14107	5.1
117.07018	29.9
119.08575	71.9
121.06495	10.4
121.10151	33.5
123.08060	6.8
125.06004	6.4
127.03899	5.2
128.06223	9.2
129.06963	13.4
130.07793	4.8
131.08563	68.4
133.06488	5.9
133.10135	63.3
135.08025	12.1
135.11684	37.4
137.09602	4.9
142.07777	7.7
143.08574	28.9
144.09343	7.9
145.10129	88.2
147.07996	5.7
147.11696	58.7
149.09624	11.0
149.13229	22.6
151.07506	10.3
151.11166	5.0
155.08519	16.1
156.09300	7.2
157.10146	46.4
158.10767	5.4
159.11697	100.0
161.09593	14.2
161.13248	20.0
163.11133	23.1
163.14827	6.9
165.09148	8.3
165.12738	10.2
169.10121	18.6
171.11670	36.5
173.13225	40.7
175.11131	19.1
175.14766	10.4
177.09151	8.5
177.12793	30.3
181.10118	10.2
183.11664	15.6
185.13254	17.8
187.11221	9.9
187.14835	9.9
189.12796	14.4
191.10654	5.9
191.14333	17.5
195.11739	8.3
197.13210	15.4
199.11139	7.8
199.14784	10.6
201.12622	5.9
201.16464	4.9
203.14285	16.9
205.12206	11.1
207.11781	5.5
209.13274	11.1
211.14816	8.3
215.14264	9.5
217.12183	15.0
219.13840	6.9
221.13388	7.0
223.14853	7.6
225.12733	8.5
225.16568	6.4
231.13876	6.9
265.14236	6.4
269.17462	5.8
279.15939	5.9
311.19971	14.9
312.20099	4.9
316.11832	5.6
329.20987	11.0
347.21970	11.8
349.25281	7.3
358.72409	5.1
359.23520	6.8
377.24664	20.2
383.25455	9.3
395.25778	51.1
413.26791	73.8
431.19046	7.3
431.28159	41.7
446.14490	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	431.2276
Annotation	Hierapolitanin D
Peak:m/z	Relative Intensity
53.03931	5.6
55.01868	2.4
55.05514	8.2
57.03438	21.3
57.07090	2.0
61.02925	37.5
67.05505	48.2
68.90957	1.5
69.03428	20.8
69.07063	15.0
70.90091	4.4
71.01332	3.8
71.04980	6.0
73.02919	17.5
74.16104	1.5
79.05494	30.2
81.03423	20.5
81.07053	71.8
83.04988	9.7
83.08617	15.3
85.02907	42.3
85.06531	5.3
89.03886	1.6
91.03953	19.8
91.05477	15.7
93.06480	3.2
93.07044	50.1
93.07629	2.9
95.04963	5.4
95.08611	18.0
97.02294	3.4
97.02892	50.6
97.06541	11.3
99.04401	8.0
99.08099	3.3
101.02377	6.7
103.03938	5.9
105.07044	7.7
107.04929	2.6
107.08589	26.6
109.02853	9.7
109.10159	3.7
111.04435	4.2
111.08078	6.8
115.03904	2.8
117.05532	1.8
117.07011	6.9
119.08571	3.1
121.06445	2.6
121.10152	17.5
127.03912	20.4
129.05495	3.0
131.08557	6.8
133.10127	5.5
135.08101	2.6
135.11681	10.9
136.07591	5.5
144.72549	2.1
145.04947	5.5
147.11693	3.0
149.05989	3.3
149.13257	51.5
151.03966	3.4
159.11690	23.0
164.07063	3.0
165.07172	1.6
165.12720	2.0
167.14369	1.8
177.12729	14.5
178.26823	1.7
183.06567	4.1
189.05444	2.5
195.13809	38.7
201.07596	4.7
211.07614	3.7
213.14882	4.2
219.08653	2.0
269.17490	100.0
269.47626	1.8
297.16940	4.8
299.09164	13.2
311.18494	6.8
349.20325	1.9
353.19769	1.7
377.19516	2.1
413.21667	6.2
431.22589	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43482	0.2
53.03936	0.4
54.84435	0.2
55.01865	0.3
55.05492	0.6
57.03429	0.5
60.48692	0.2
61.02942	1.2
65.03947	0.2
67.05521	1.4
69.03435	0.9
69.07057	0.5
71.04996	0.2
71.55506	0.2
73.02908	0.7
79.05498	1.6
80.05816	0.3
81.03426	1.7
81.07063	1.5
82.03784	0.2
83.01328	0.2
83.04983	0.5
83.08614	0.4
85.02914	2.0
85.04150	0.2
88.10658	0.2
91.03962	0.9
91.05493	1.7
93.07050	1.5
95.04992	1.1
95.08625	0.9
95.81642	0.2
97.02915	1.1
97.06519	0.5
98.03231	0.2
99.04473	0.2
101.02355	0.3
102.54475	0.2
103.05467	0.6
105.07015	1.7
107.04971	0.3
107.08594	0.9
108.55458	0.2
109.02859	0.4
109.06537	0.2
109.10143	0.2
111.04438	0.2
111.08041	0.3
115.03931	0.3
115.05491	0.2
117.07031	0.3
118.04161	0.4
119.04860	0.2
119.08587	1.0
121.06487	0.3
121.10139	0.4
125.09363	0.2
127.03905	0.6
129.03372	12.4
129.07030	0.4
130.04091	0.2
131.04933	1.8
131.08551	0.7
133.10124	0.4
135.11731	1.1
141.07024	0.3
141.09294	0.2
145.06523	0.2
145.10100	0.4
146.03639	0.6
147.04332	0.2
147.11668	0.8
149.13269	0.3
157.10127	0.3
159.04466	0.4
159.11726	0.5
161.05995	4.5
161.13261	0.4
165.07018	0.5
166.07802	0.3
169.05223	0.2
169.06871	0.2
169.10110	0.3
171.04451	0.5
175.11148	0.3
177.06956	0.2
177.12820	0.3
183.06572	0.3
187.08075	0.3
189.05476	100.0
190.05809	0.8
190.07591	0.3
191.08597	0.6
193.06512	0.3
193.10629	0.2
193.12222	1.1
194.12521	0.2
199.03960	0.4
200.04675	0.2
205.06529	0.3
208.12589	0.2
208.62192	0.2
211.13226	1.1
212.13629	0.4
213.05515	0.5
214.06238	1.1
217.06746	0.3
218.07260	0.2
219.08072	0.9
221.05911	0.5
229.04929	0.5
234.10500	0.3
235.07648	0.3
235.09933	0.2
235.60046	0.3
236.10356	0.2
237.09023	0.3
239.07054	0.4
241.04951	0.4
247.07510	0.5
249.05432	0.2
251.07115	0.2
251.11308	1.2
252.11511	1.1
253.11093	0.5
257.04425	0.4
259.06082	0.2
265.05145	0.2
265.08609	0.4
267.06500	0.3
269.04514	0.3
269.12384	5.0
269.17133	1.0
270.12552	4.0
271.12177	2.3
275.07098	0.4
275.20114	0.9
277.08569	0.6
277.38043	0.2
279.06717	0.2
279.10080	0.2
281.08047	0.7
285.16922	0.8
286.17294	0.4
292.14014	0.4
293.08011	0.4
293.14154	0.3
294.09122	0.2
301.06976	0.2
303.06567	0.4
305.07968	0.3
307.09631	0.4
311.09164	0.3
316.62723	0.6
317.08224	0.4
321.07590	0.5
325.10751	0.2
335.09198	0.8
337.10480	0.2
339.08698	0.5
353.10233	2.1
363.08679	0.5
381.09705	1.6
395.11215	0.6
413.12347	7.5
429.40103	0.2
431.13199	0.9
431.19287	0.3
431.29105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
53.51451	0.2
55.01876	0.3
55.05505	0.4
57.03430	0.2
60.90064	0.2
67.05505	0.8
67.48273	0.2
69.25858	1.9
76.81061	0.2
79.05491	1.6
80.73657	0.2
81.03430	0.5
81.07059	1.1
83.01334	0.3
83.04977	0.2
91.05488	1.2
93.07069	1.6
95.04945	0.6
95.08604	0.7
97.02918	0.3
97.06499	0.3
98.21537	0.4
103.05489	0.5
105.07043	1.1
107.08601	0.9
108.36857	0.2
109.06567	0.3
109.10148	0.5
115.03914	0.3
115.05488	0.2
118.04163	0.8
119.04896	0.2
119.08591	0.9
121.06495	0.6
121.10139	0.5
123.08060	0.3
129.03372	13.6
129.07033	0.4
131.04932	1.8
131.08589	0.5
133.06496	0.3
133.10110	0.5
135.07999	0.2
135.11714	1.4
136.07555	0.5
141.07002	0.3
145.10109	0.5
146.03674	0.4
147.04427	0.6
147.11702	0.6
149.09569	0.2
149.13272	0.2
155.08484	0.2
157.10091	0.4
159.04433	0.5
159.11659	0.3
161.05995	5.5
161.13332	0.3
164.07123	0.5
165.07013	0.5
169.06429	0.2
171.04419	0.4
172.05183	0.3
175.03929	0.4
175.14714	0.2
178.07727	0.3
179.03494	0.3
179.08554	0.3
183.08139	0.2
183.11765	0.3
189.05476	100.0
190.05870	0.8
191.08589	0.6
193.06557	0.2
195.08134	0.3
199.03926	0.3
200.04689	0.9
207.08112	0.3
211.07629	0.5
214.06241	0.7
219.08072	0.6
221.06038	0.3
235.07567	0.4
237.09070	0.4
239.07016	0.8
247.07603	0.7
249.05254	0.2
249.09096	0.2
251.07022	0.2
253.08704	0.3
265.08646	0.2
267.06561	0.6
275.07108	0.5
275.20059	1.4
277.08481	0.4
279.10165	0.3
281.08011	0.3
287.05453	0.4
293.08041	0.6
295.09705	0.3
299.09290	0.4
303.06494	0.4
305.07932	0.4
307.09543	0.3
311.09146	0.2
321.07587	0.8
325.10666	0.2
335.09106	0.4
339.08679	2.1
353.10242	1.6
363.08685	0.3
367.07983	0.3
381.09634	1.6
395.11182	0.6
399.10651	1.6
413.12350	4.0
419.19653	0.3
431.13351	4.5
431.20761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48532	8.2
53.03954	8.3
65.03934	17.3
71.54953	7.8
71.55322	12.0
79.05497	30.3
80.31737	6.9
81.03416	12.2
88.88185	7.1
91.05493	88.3
93.07041	14.9
103.05447	47.3
105.07051	14.4
107.04962	35.6
115.05482	10.8
117.03373	12.2
118.04192	10.5
119.04959	72.9
120.45927	9.6
121.06570	21.6
129.03387	9.0
129.07010	11.1
130.28148	8.8
131.04932	27.5
133.06514	11.0
135.04434	16.5
139.03908	46.3
141.07024	10.8
141.97728	7.4
145.02834	42.1
147.04422	100.0
149.06004	31.6
152.06285	18.8
153.07025	12.2
154.07791	10.5
159.04399	52.7
161.05994	16.9
163.03946	11.5
165.05644	17.1
165.07010	40.4
166.07794	28.2
167.08565	43.1
173.02429	8.3
174.39384	7.7
175.03918	36.9
177.05484	67.2
177.06947	12.4
178.07826	48.9
179.07158	12.4
179.08606	24.5
181.06526	14.7
181.10112	17.9
189.05460	71.9
189.07031	21.9
190.07809	32.5
191.07031	32.3
191.08609	68.5
192.09418	10.3
194.07310	13.0
195.08037	43.3
197.09573	9.8
202.07831	15.6
203.03395	13.2
203.08594	14.0
205.04887	39.6
205.06615	15.2
206.07280	12.2
207.06519	31.6
207.08226	18.5
209.09750	37.0
211.07562	11.4
218.07307	16.0
219.06264	14.4
219.08173	82.1
221.09669	15.9
222.06819	14.4
223.07590	43.4
231.08121	9.6
233.06075	13.8
235.07487	18.1
237.09181	52.8
241.08667	8.8
247.07570	89.9
249.09021	14.8
251.07051	27.0
257.06195	13.0
263.07370	11.8
265.08591	51.3
275.06973	77.8
277.08456	13.1
279.06470	7.9
279.10184	25.4
283.09555	9.9
293.08087	61.3
297.11346	9.4
303.06464	53.2
305.08011	7.9
307.09650	26.4
311.09064	11.5
321.07513	58.7
325.10748	29.9
331.05814	13.5
335.09302	50.6
339.08734	18.4
349.07117	27.9
353.10141	47.3
355.12057	9.5
363.08667	31.7
367.08075	21.5
367.12057	17.4
371.11313	26.8
381.09689	92.9
385.13174	10.8
395.11365	22.9
399.10776	28.6
413.12375	24.7
431.13254	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17807	8.3
66.92802	9.4
69.56596	30.5
69.57024	32.0
76.92669	9.8
79.05476	22.2
81.03418	19.3
86.37822	8.0
91.05483	92.6
93.07068	18.8
95.96735	9.2
99.27715	9.1
103.05461	54.7
105.07062	19.3
107.04965	27.5
109.02877	8.8
111.04481	9.6
119.04961	96.4
121.06529	20.1
129.03337	9.7
131.04944	38.4
133.06497	15.1
135.04427	24.0
139.03883	48.1
145.02861	55.7
147.04405	97.3
149.05980	32.4
153.06960	15.1
155.08530	9.9
159.04431	66.0
161.06017	16.4
163.03973	10.2
165.05647	16.4
165.07042	44.3
166.07825	45.4
167.08586	57.3
173.02309	20.0
175.03923	36.1
177.05476	83.4
178.07834	27.1
179.07124	15.9
179.08614	30.5
181.06525	11.5
181.10175	20.7
187.03906	16.6
189.05467	65.0
189.07031	23.6
190.07805	31.2
191.07022	29.3
191.08577	64.7
194.07278	11.7
195.08055	48.3
202.07884	27.2
203.03400	14.2
203.08537	11.7
205.04971	58.3
205.06519	19.4
206.07178	11.7
207.06503	27.2
207.08093	25.6
209.09610	27.9
213.08995	9.6
218.07265	11.0
219.06284	12.7
219.08215	74.8
220.08907	14.2
221.09555	14.8
222.06673	13.5
223.07643	54.2
223.96022	9.0
233.06102	12.0
235.07631	21.5
237.09320	43.9
247.07634	86.4
249.05638	9.8
251.07053	37.4
263.07086	12.2
265.08606	73.6
275.07074	77.2
276.07379	13.0
277.08618	14.5
279.06662	14.5
279.10034	13.1
283.09552	17.8
293.08099	77.9
297.11194	10.7
303.06461	42.3
307.09613	45.7
321.07489	55.6
325.10583	27.6
331.05994	25.5
335.09164	42.2
339.08722	14.9
343.94861	10.6
343.99539	9.8
349.07086	25.6
353.10410	53.0
363.08597	21.2
367.08163	19.5
371.11398	17.8
381.09656	100.0
395.11337	25.3
399.11002	25.8
413.12366	27.9
431.13385	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	431.0951
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
50.06245	3.5
50.54795	3.8
54.71653	3.8
57.02699	4.0
58.64801	3.7
69.03442	6.3
70.27314	7.3
70.27705	9.5
80.50522	3.7
85.02905	9.5
94.08639	4.0
94.93038	3.7
97.02930	4.5
98.21400	4.6
101.00880	4.9
114.62466	4.3
127.71078	4.0
431.09338	100.0
458.72845	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	431.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57444	7.2
65.03922	9.3
69.45285	38.0
69.45694	20.8
71.40978	8.0
78.62562	9.1
79.05485	20.1
81.03403	18.1
84.06612	6.9
91.05486	74.4
93.07032	10.0
95.04951	11.6
98.20817	19.1
102.80621	7.9
103.05457	41.0
107.04967	23.8
119.04955	68.0
121.06506	18.9
129.03418	13.4
131.04930	40.0
139.03923	48.8
145.02840	33.8
147.04419	100.0
149.05974	30.6
152.06227	20.9
153.06998	11.9
157.06439	10.5
159.04448	57.6
161.05954	14.5
163.03893	10.7
165.05635	15.9
165.07018	29.2
166.07767	24.6
167.08530	34.3
168.09317	8.7
173.02379	19.9
173.06129	7.9
175.03868	36.2
177.05481	81.0
178.07774	31.3
179.08598	27.4
181.06433	11.9
181.10109	22.0
187.03955	15.9
189.05504	97.6
189.07025	19.1
190.07787	30.9
191.06987	31.2
191.08565	56.8
192.25214	7.6
193.10175	8.1
194.07256	12.3
195.08058	45.0
197.05975	10.3
197.09651	9.7
202.07794	18.1
203.03368	13.0
203.08501	9.2
205.04919	55.5
205.06561	12.6
207.06499	29.3
207.08191	18.1
209.05994	7.8
209.09659	22.9
219.08159	87.0
221.05861	10.1
221.09625	14.9
222.06870	8.5
223.07579	47.9
233.05925	12.8
235.07518	9.0
237.09074	34.1
241.08768	9.3
247.07553	67.1
249.09116	15.6
251.06960	16.2
257.05923	9.0
259.07611	11.1
261.05383	9.1
263.07050	14.9
265.08640	64.6
275.07053	59.4
279.06567	17.7
279.09973	14.6
283.09784	11.3
290.88687	7.3
291.06653	16.0
291.10123	9.7
293.08047	65.5
295.09937	8.8
303.06485	30.6
305.08176	8.9
307.09680	28.2
321.07501	54.2
325.10605	17.5
331.06079	12.5
333.22098	8.6
335.09048	38.2
339.08615	19.0
347.65417	8.9
349.06995	28.3
353.10132	37.9
363.08612	27.3
367.08063	16.0
371.11270	9.8
381.09720	90.0
395.11154	17.1
399.10703	22.7
413.12057	18.3
431.13080	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	430.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75371	1.0
55.48544	1.0
57.03167	1.0
57.03439	19.4
57.07076	14.7
59.04993	3.6
61.02898	1.7
62.25365	1.2
63.04211	1.4
63.04495	20.5
67.05481	1.0
69.03433	61.1
70.85122	3.4
71.01331	1.6
71.73964	1.1
73.02932	6.9
75.04475	1.3
79.05505	1.4
81.03411	2.7
85.02905	44.5
86.09695	3.2
87.03934	2.4
87.04470	46.3
91.03926	1.2
97.02898	53.5
98.20832	1.1
98.97564	1.9
99.04420	1.4
105.07033	1.4
107.04951	2.5
109.02903	1.2
115.03934	72.4
119.10699	100.0
123.04464	1.2
127.03919	4.5
133.04971	71.1
145.04977	6.3
147.04321	1.6
150.07629	4.6
150.65149	1.0
163.06042	1.8
167.06967	2.1
169.04935	1.3
223.05989	1.3
241.06985	2.7
251.14920	2.8
259.08069	3.2
265.01395	1.1
273.89655	1.1
277.09073	2.6
280.96417	1.4
281.16031	2.9
295.10333	3.1
314.12015	1.1
316.69315	1.2
430.20938	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	430.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00600	1.8
55.05500	6.9
69.03423	3.7
69.45534	10.1
70.06582	5.4
72.08160	97.4
75.13422	1.7
83.08136	1.8
84.04514	25.9
84.08135	10.4
85.02905	7.0
86.09711	99.0
90.95412	2.1
97.02872	3.2
101.07163	6.3
122.83801	1.9
129.06676	1.9
129.10220	12.1
130.05017	68.3
131.11841	1.9
135.04408	4.1
138.42471	1.9
143.11807	29.3
145.02940	2.7
147.07658	100.0
157.13411	16.9
163.03937	19.2
171.11302	19.1
177.34253	2.0
185.12869	20.7
205.08670	2.1
232.12877	2.2
239.17552	6.7
243.13353	4.9
246.14572	25.6
253.10532	1.9
260.16083	63.7
268.11841	9.8
268.15491	2.2
284.19684	12.6
328.93820	2.2
393.05505	2.1
399.10965	3.2
430.16260	9.0
430.21283	14.8
430.26620	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	430.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43279	0.9
55.01871	1.0
55.05489	1.4
56.96554	3.4
61.02919	1.9
67.05502	2.1
69.03427	1.2
69.07068	1.2
69.54318	6.3
73.02935	1.0
78.92099	1.0
79.05479	2.5
81.03416	2.3
81.07043	2.5
83.04974	1.0
83.08616	1.1
85.02906	2.7
91.03957	1.2
91.05450	1.0
92.63279	0.8
93.07024	1.8
95.04980	1.3
97.02880	1.5
98.97591	1.5
105.07050	1.6
107.08585	1.8
109.10133	1.8
119.08564	1.0
121.10095	1.0
129.03404	5.7
131.08528	1.3
161.05960	3.3
165.06990	2.1
167.15623	1.0
173.02271	1.0
178.07758	3.2
179.08560	1.9
189.05481	100.0
190.05879	1.5
190.07750	4.1
191.08554	23.6
192.09314	2.6
193.10019	1.4
193.12132	1.0
201.07144	1.1
202.07831	5.0
205.06496	3.7
218.07301	2.6
219.08061	29.0
220.08858	5.2
229.06450	3.3
230.07326	2.1
231.07945	1.0
237.09077	3.8
243.08873	1.3
246.06865	1.2
247.07536	24.2
248.08351	2.5
257.05936	2.3
261.09311	1.0
267.09042	2.3
269.10477	1.4
271.08484	1.5
275.07013	7.6
279.10217	11.5
285.10092	2.3
289.08649	7.0
303.06378	1.5
307.09665	52.0
317.07687	1.7
317.10806	3.5
324.11572	1.4
335.09061	7.7
339.12259	8.5
349.10730	10.9
367.11594	1.8
430.18726	1.0
430.28448	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	429.3001
Annotation	Kuguacin P
Peak:m/z	Relative Intensity
53.03932	6.7
55.01858	6.1
55.05508	18.4
56.96550	6.6
66.01772	4.5
67.05511	37.4
67.21078	3.6
69.07071	17.4
69.49599	8.5
69.49997	25.5
71.04994	29.3
77.52941	4.0
79.05484	41.2
81.03419	10.4
81.07065	78.5
83.08627	5.2
85.02923	10.4
85.06542	18.9
86.29332	4.1
91.05482	47.6
93.07050	75.9
95.04954	8.7
95.08607	63.5
97.06548	11.3
105.07038	95.3
107.08596	85.8
109.06533	10.1
109.10169	38.5
111.37167	3.9
117.07018	25.9
119.08583	89.2
121.06519	11.5
121.10157	53.2
123.08045	12.1
123.11711	12.1
125.09578	5.7
129.07007	17.5
130.07770	4.3
131.08577	56.4
133.10127	56.3
135.08038	9.9
135.11697	35.0
137.09605	6.9
141.06987	5.7
142.07802	7.8
143.08540	27.3
144.09344	6.6
145.10135	80.1
147.08031	8.9
147.11702	57.8
149.02359	36.6
149.09602	7.5
149.13251	29.2
151.11221	7.7
153.08983	3.9
155.08603	12.4
156.09369	4.5
157.10155	54.3
159.08087	4.7
159.10468	7.6
159.11705	96.9
161.09682	11.1
161.13289	41.1
163.11226	12.7
163.14949	4.3
165.12720	8.1
167.07033	10.7
169.08641	11.6
169.10153	11.4
171.11693	28.9
173.09607	4.8
173.13263	39.3
175.11194	9.3
175.14845	14.4
177.09254	6.1
177.12766	23.1
179.10793	5.2
179.14372	4.4
181.10347	3.9
181.12178	4.9
182.61754	4.3
183.11742	12.9
185.13277	25.2
187.11156	8.3
187.14807	17.1
189.12750	8.6
191.10764	8.6
191.14323	9.8
193.04980	28.3
193.12329	7.1
195.11723	7.7
197.13295	16.1
199.11201	5.0
199.14880	17.2
201.12814	9.0
201.16559	6.9
205.12170	6.4
205.15868	5.7
207.13739	11.3
213.16435	6.6
214.21591	4.4
215.14363	5.3
217.12143	6.2
217.15878	5.0
219.13841	12.3
221.15395	7.3
225.16423	9.6
229.15985	4.1
231.13907	6.9
233.15372	10.2
237.07605	6.4
243.17542	5.5
245.15378	8.2
247.16910	6.5
253.19469	5.0
255.17506	4.3
267.21231	4.2
304.25961	3.9
327.23303	17.9
341.06482	7.5
345.24411	8.9
353.24808	8.8
375.26904	8.8
383.29547	9.0
385.09219	12.7
393.27850	38.6
395.83224	4.1
399.28931	6.8
411.28976	86.6
429.11884	30.5
429.30084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3001
Annotation	Kuguacin P
Peak:m/z	Relative Intensity
50.90321	3.7
55.01865	4.6
55.05508	14.8
66.09373	3.9
67.05513	45.9
69.07066	13.7
69.58749	27.5
71.05003	25.2
79.05486	34.4
81.07062	68.3
83.04961	10.6
83.08640	4.8
85.06554	13.6
85.11354	3.7
90.27451	3.6
91.05487	48.5
93.07047	84.9
95.04994	8.0
95.08604	64.8
97.06544	8.0
98.21516	4.9
101.02415	4.0
105.07037	98.0
107.08601	63.4
109.06512	6.9
109.10169	35.8
113.00019	100.0
117.07023	29.6
119.08585	73.3
121.06498	7.9
121.10159	42.4
121.67758	3.9
123.08078	10.8
123.11673	9.1
125.05994	8.7
126.66931	4.4
128.06276	6.3
129.07001	14.9
131.08565	54.1
133.06458	4.8
133.10149	47.2
135.08051	9.1
135.11707	26.0
142.07750	8.1
143.08553	19.9
144.09314	6.4
145.10143	65.9
147.08000	4.7
147.11679	51.6
149.09639	11.7
149.13268	29.7
155.08551	11.0
157.10120	40.9
159.11710	79.4
161.09698	10.9
161.13271	26.9
163.11205	8.3
163.14809	9.3
165.12706	8.2
169.02629	66.2
169.08803	5.3
169.10078	19.0
171.11723	25.2
173.09621	5.1
173.13243	37.4
175.11162	7.0
175.14818	15.6
177.12752	21.1
183.11691	11.9
184.22395	4.1
185.13290	20.5
187.11197	5.8
187.14787	21.3
189.12758	6.9
191.14337	12.4
195.11713	4.2
197.13245	10.5
198.20631	4.4
199.14827	12.3
201.16486	6.0
203.14217	4.7
207.13870	5.7
209.13254	4.7
211.14815	6.4
213.16417	8.0
215.14374	6.8
217.12109	5.6
219.13860	5.5
221.15454	5.8
225.16388	4.3
233.15402	13.4
235.16997	5.5
243.21127	16.3
245.15250	7.5
247.17010	4.5
261.22153	52.0
327.23187	11.7
336.09302	4.3
345.24170	5.6
347.26923	4.2
351.27087	5.5
369.27924	7.3
383.29510	9.8
393.27899	26.1
411.28949	67.4
429.30069	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3
Annotation	Kuguacin D
Peak:m/z	Relative Intensity
53.03938	4.3
55.01869	3.2
55.05508	9.7
56.96569	1.9
67.05183	2.5
67.05508	28.8
68.42183	2.0
69.07075	11.7
71.04996	26.2
71.54983	3.0
79.05492	34.7
80.97075	2.2
81.03416	2.7
81.06593	3.8
81.07054	60.3
83.04966	5.2
83.08600	4.4
85.02887	3.9
85.06543	14.7
91.05480	43.5
93.07043	72.9
95.04969	7.0
95.08607	60.2
96.15788	2.0
97.06509	6.6
98.97585	1.9
99.04422	2.0
99.08020	2.5
101.02384	2.9
103.05444	3.8
105.07033	100.0
107.08597	66.8
109.06524	10.5
109.10159	34.9
111.08073	6.0
115.05446	3.8
117.07008	31.8
119.08578	82.0
121.06513	7.9
121.10126	35.7
123.08109	11.9
123.08903	1.8
123.11696	9.1
125.05996	5.2
125.09611	3.4
128.06190	2.9
129.07005	13.7
130.07761	4.6
131.08568	53.9
133.06476	2.7
133.10130	56.3
135.08067	9.1
135.11688	28.3
137.09598	5.1
141.07024	4.6
142.07768	5.8
143.08554	28.4
144.09349	10.0
145.10120	75.4
147.08066	6.8
147.11690	62.2
149.02324	8.7
149.03427	2.5
149.09627	8.2
149.13278	29.8
151.07480	2.6
151.11185	4.7
153.09113	3.3
155.08556	8.7
156.09325	5.7
157.10126	42.5
158.10933	2.7
159.08119	4.5
159.11690	92.4
161.09608	9.1
161.13251	35.9
163.11186	11.5
163.14900	7.2
165.09105	3.8
165.12761	6.9
166.07747	1.9
167.07022	5.7
167.08551	3.9
167.10677	4.5
169.08636	4.2
169.10132	12.4
171.11687	26.3
173.09677	3.6
173.13268	37.1
175.11203	9.0
175.14803	14.6
177.09076	4.1
177.12753	21.8
179.10701	5.4
179.14224	2.7
181.10106	6.3
181.12210	4.7
183.11682	11.6
185.13235	21.2
187.11221	6.4
187.14821	16.2
189.05507	2.5
189.09113	2.7
189.12756	8.7
189.16342	3.8
191.10678	6.1
191.14302	9.6
193.04959	7.9
193.12160	3.9
195.11729	5.2
195.13583	2.4
197.13310	10.6
199.11224	3.5
199.14850	14.8
201.12743	5.6
201.16370	7.5
203.10693	2.1
203.14282	5.7
203.17857	3.4
205.12245	2.8
205.15919	3.5
207.13843	10.5
209.13364	5.4
211.14819	7.7
213.12755	2.3
213.16408	6.2
215.14326	6.7
217.12300	3.3
217.15921	3.2
219.13823	7.5
221.15367	7.0
223.14813	3.8
225.16402	5.9
227.14345	3.1
227.17876	4.6
229.15932	3.8
231.13814	5.9
231.17365	3.5
233.15298	10.4
237.07755	3.5
239.17950	3.0
241.15845	2.2
245.15434	7.4
247.16972	6.5
249.16298	2.7
251.17908	2.9
259.17139	2.9
265.19504	2.5
327.23254	13.6
333.22150	2.4
333.25873	2.5
345.24176	7.2
353.24799	3.7
357.26059	2.1
365.28470	4.1
375.26770	8.7
381.27924	4.6
383.29581	11.1
385.09204	2.3
393.27951	36.8
399.29034	6.5
411.28937	69.8
412.29456	2.9
429.11826	12.7
429.29977	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	429.212
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.93460	2.4
53.03944	8.2
54.87191	2.1
55.01855	6.8
55.05525	10.7
57.03436	20.1
61.02934	13.9
63.29091	1.9
63.67562	1.9
67.05508	23.2
69.03432	33.2
69.07059	6.9
70.94448	6.3
71.04996	10.0
73.02915	5.8
79.05498	25.2
81.02936	4.8
81.03420	98.0
81.07047	27.4
83.04984	15.1
83.08636	13.7
85.02904	27.7
91.03958	6.7
91.05480	33.3
93.07048	23.9
93.93407	1.9
95.04968	40.4
95.08617	9.1
97.02892	35.4
97.06551	3.5
97.10152	4.3
99.04462	6.2
103.03937	9.3
105.07043	23.2
107.04949	16.1
107.08592	9.5
109.02892	15.2
109.06544	5.1
111.04438	6.8
111.08090	5.4
117.07050	7.4
119.04995	3.7
119.08565	19.2
121.06533	5.9
121.10148	7.2
123.04436	14.8
123.08099	2.2
123.11723	5.8
125.09639	4.2
127.03908	16.8
129.05469	4.3
129.07016	14.1
131.04852	3.0
131.08575	13.4
133.10147	11.6
135.08051	5.0
135.11725	2.8
137.05933	2.5
141.06950	2.4
143.08553	4.2
144.93291	2.1
145.05002	4.0
145.06493	3.2
145.10178	5.9
147.04427	5.9
147.08115	4.3
147.11670	22.7
149.06007	3.3
149.09634	5.2
157.10138	8.6
159.11717	2.4
161.06012	3.1
163.11151	8.7
165.12756	9.4
167.08638	2.5
171.08208	2.5
171.11707	3.6
173.09628	3.6
175.11212	9.4
189.05473	4.1
189.12794	4.8
193.12244	34.5
194.04254	2.6
199.11290	2.9
211.13301	41.7
217.12378	3.7
229.14410	2.6
235.13274	23.6
247.13196	2.9
249.14902	6.4
253.14188	3.1
259.13226	5.4
267.15948	32.4
273.14807	10.4
277.14310	4.4
285.16934	14.0
291.15997	2.2
301.14520	12.3
309.16873	13.5
313.16339	4.3
319.15454	4.4
321.17191	3.4
337.16373	4.6
351.18060	3.0
363.17780	2.9
375.18082	9.5
393.19229	5.3
411.19989	10.0
429.15213	5.3
429.21140	100.0
442.69373	2.6
443.31509	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2119
Annotation	(-)-Sonchuside G
Peak:m/z	Relative Intensity
53.03938	5.7
55.01868	3.3
55.05502	7.1
57.03445	10.8
61.88946	1.4
65.03948	1.8
67.05502	12.8
69.03436	20.9
69.07041	1.8
70.06585	6.5
71.05002	7.0
71.06313	2.3
72.08166	1.5
73.02917	3.1
79.05500	13.2
80.29752	1.4
81.03425	73.6
81.07069	17.8
83.04995	12.6
83.08631	17.5
85.02914	17.5
86.09702	6.5
87.04460	1.7
89.01403	1.5
91.05481	18.2
93.07034	9.0
95.04969	22.0
95.08614	6.3
97.02898	42.5
97.06552	4.8
97.10196	4.0
99.04455	6.1
103.03918	2.4
105.07028	14.4
105.84853	1.4
107.04971	3.9
107.08595	7.1
109.02895	11.6
109.06527	4.6
109.10139	3.0
111.04443	8.3
111.08092	8.6
119.04960	2.0
119.08553	10.5
121.06505	4.5
121.10159	5.7
123.04416	2.0
123.08121	1.7
123.11682	1.8
125.09639	2.1
126.90849	1.5
127.03926	12.8
129.05487	4.3
129.07021	6.3
131.08597	8.6
133.06506	2.0
133.10150	5.7
135.11757	2.0
137.09634	2.1
141.17717	1.5
145.10162	1.8
147.08070	2.1
147.11687	11.1
149.09657	3.9
155.10722	2.3
157.10132	8.5
163.11218	3.5
165.12798	4.8
171.11739	1.6
175.11241	8.8
181.12361	2.9
182.46078	1.6
189.05507	5.4
193.12259	43.2
211.13297	67.8
227.12823	3.3
229.14473	2.2
235.13324	3.8
249.14738	7.9
265.14487	1.7
267.15979	5.7
273.14886	2.5
285.16983	16.9
297.12521	1.5
313.16583	2.5
337.16473	2.6
355.17529	4.8
411.20279	5.8
429.21219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2119
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
53.03938	7.5
55.01851	3.3
55.05516	12.0
57.03441	16.4
61.02912	2.0
61.39153	1.7
67.05504	17.8
69.03432	25.1
69.07069	4.5
70.67611	2.9
70.67950	3.5
71.04996	5.2
73.02873	2.4
79.05495	14.4
81.03419	81.3
81.07056	21.8
83.04980	18.9
83.08608	19.1
85.02908	15.8
87.04443	2.1
87.52726	1.8
91.05486	19.1
92.14200	1.6
93.07052	12.2
95.04964	19.7
95.08603	7.9
97.02893	42.1
97.06529	5.4
97.10188	4.7
99.04449	6.8
101.02349	2.8
103.03960	2.1
105.07021	17.6
107.04965	5.9
107.08589	4.9
108.38159	2.0
109.02874	11.6
109.06506	4.1
109.10226	2.2
111.04445	6.1
111.08073	7.7
117.06988	2.1
119.08591	14.6
121.06520	2.2
121.10168	5.6
121.27135	1.6
123.08089	1.7
125.13895	1.9
127.03905	12.3
129.05502	4.3
129.07002	8.4
131.08586	8.4
133.06483	3.6
133.10136	8.6
135.04390	1.8
147.08032	3.5
147.11708	14.9
149.05965	1.8
149.09679	4.3
157.10159	11.0
163.11108	2.4
165.12796	5.6
175.11177	13.1
189.12798	2.1
191.10637	2.4
193.12253	51.5
197.87740	1.8
211.13286	86.8
217.12202	2.1
227.12758	2.9
229.14308	3.3
235.13286	3.0
249.14888	6.8
267.10474	2.7
267.15991	5.4
283.09805	2.2
283.15509	2.1
285.16879	19.3
309.17172	3.1
337.16605	4.8
345.12958	2.1
355.17545	6.4
393.18848	4.2
411.20090	7.7
429.21213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20134	1.2
53.03952	8.7
54.31781	1.2
55.01862	4.2
55.05513	10.7
57.03441	15.5
58.75303	1.1
60.85383	1.3
67.05511	11.7
69.03433	30.3
69.07064	4.0
71.01347	2.2
71.05005	9.5
71.55943	1.8
73.02913	1.7
79.05501	12.3
81.03423	84.2
81.07063	16.1
83.01309	1.6
83.04993	19.2
83.08624	16.8
83.12601	1.3
83.29589	1.1
85.02910	22.3
85.06526	1.6
87.04483	2.4
91.05486	14.4
91.56843	1.2
93.07069	10.1
95.04979	16.0
95.08609	6.0
97.02895	50.0
97.06514	3.0
97.10191	4.1
99.04459	8.7
99.78098	1.2
105.07039	11.2
107.04960	4.6
107.08606	5.9
109.02886	11.6
109.06513	3.6
109.10173	3.3
111.04429	6.7
111.05804	1.1
111.08101	8.8
115.05459	1.6
119.08596	11.6
121.06520	1.5
121.10145	5.1
123.08122	1.6
123.11697	2.5
125.09645	1.7
125.59349	1.2
127.03915	13.1
129.05484	5.2
129.07019	5.6
131.08556	6.5
133.06525	1.4
133.10141	4.3
133.29391	1.2
135.11707	2.0
145.10165	2.0
147.08018	1.6
147.11668	11.6
149.09605	4.9
153.12784	1.8
157.10115	8.0
159.11743	1.3
163.11188	4.1
165.12776	3.1
175.11194	14.1
181.12291	1.6
181.60275	1.3
187.11420	1.1
191.10744	4.0
192.02466	1.2
193.10446	2.5
193.12260	48.0
211.13301	100.0
211.69261	1.3
227.12846	5.7
229.14296	5.8
249.14897	4.8
261.12653	1.4
267.16083	2.0
285.16852	7.7
313.16473	1.6
337.16574	3.5
355.17599	6.0
393.18939	2.3
411.20132	2.3
429.21286	88.2
429.31784	62.4
453.81619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.21
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
53.03948	0.4
55.05512	0.5
55.41338	0.3
56.05037	0.5
56.96571	0.5
57.03431	1.6
61.02929	0.8
63.00599	0.4
65.03934	0.4
69.03439	1.8
70.06593	4.8
71.05018	0.5
71.55063	0.5
72.08154	5.6
73.02905	2.5
74.06092	1.1
81.03415	0.4
81.07075	0.6
82.15514	0.4
83.04987	0.7
84.04527	0.4
84.08157	0.4
85.02923	2.1
86.09710	7.1
86.10195	0.7
87.04471	0.4
91.05438	0.4
95.04981	0.8
97.02901	1.6
98.97607	0.9
105.03390	2.4
107.04966	0.5
107.08611	0.4
109.02921	0.5
111.04402	0.5
114.05534	0.4
115.04003	0.4
116.07090	5.8
116.98656	0.5
117.03421	0.5
127.03862	0.6
128.33946	0.4
129.05475	0.7
133.05063	0.6
133.10208	0.4
134.99812	0.4
135.04431	12.0
135.05438	0.7
137.51993	0.4
147.04378	1.0
153.05443	2.2
158.99611	0.6
161.02982	0.4
163.03990	2.0
177.05560	0.5
179.06903	0.4
185.16576	2.4
189.05533	1.2
195.01123	8.9
195.02821	0.5
199.10822	0.5
203.05377	2.2
213.16045	2.6
215.13922	0.8
217.07233	0.5
217.11836	5.1
241.08406	0.6
249.14824	0.9
267.08569	0.4
267.15964	0.7
268.11914	0.6
297.09818	2.0
314.20959	1.9
336.05978	0.7
371.16721	0.8
399.20053	0.7
411.20575	0.7
411.26178	1.3
415.53857	0.4
429.21066	100.0
430.21457	1.5
441.01459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.202
Annotation	CHEMBL1738698
Peak:m/z	Relative Intensity
55.05502	0.5
56.96546	0.7
57.03440	0.5
67.05498	0.9
68.05035	0.5
69.03431	2.1
69.07063	1.0
70.06590	3.0
70.33342	0.8
70.33737	0.9
79.05479	1.3
80.05005	2.0
81.03408	1.0
81.07050	1.5
82.06629	0.5
83.04986	0.3
84.04489	1.6
84.08137	1.4
85.02890	1.2
85.06525	0.4
86.09721	3.0
91.05461	1.9
92.04965	0.5
93.05792	2.0
93.07034	1.4
94.06548	0.5
95.04964	1.0
95.08611	1.1
97.02885	0.6
98.97583	3.7
100.07587	0.5
103.05444	1.4
105.03358	0.4
105.07021	1.3
106.06532	1.4
107.04952	0.6
107.08559	0.9
108.04477	3.1
108.08103	1.4
109.02854	0.8
109.05257	0.7
109.06524	0.9
109.10156	0.4
115.05463	0.6
116.98618	1.3
117.07021	0.7
118.06525	2.1
119.07317	1.1
119.08565	1.1
120.04453	0.8
120.08105	7.0
121.06532	0.6
121.10158	0.5
122.06014	1.1
122.09633	0.4
123.06841	0.4
123.08093	0.4
129.06931	0.5
129.10234	1.1
130.06499	0.6
131.04904	0.4
131.08569	0.6
132.08086	1.8
133.08846	0.6
134.06064	0.7
134.09651	1.3
135.08057	0.5
136.07578	0.8
137.05997	0.4
137.09586	0.4
144.08099	1.4
145.06502	0.8
145.10107	0.6
146.06010	1.8
146.09608	0.7
147.04390	2.2
147.07959	0.5
148.03934	2.8
148.05194	2.2
148.07617	0.9
148.11269	0.8
149.04739	6.4
149.08310	0.4
150.05527	0.8
150.09146	2.0
151.07619	0.4
152.10709	0.9
155.06061	0.5
157.08815	0.6
158.05992	0.6
158.09631	0.6
158.99684	1.2
160.07565	1.1
162.05530	0.4
162.09152	2.8
164.07059	1.6
164.10719	1.1
165.07898	2.6
166.08629	1.6
166.12242	0.5
167.07086	0.6
173.06056	0.6
174.09161	2.0
175.09911	1.0
176.10747	1.6
177.00723	1.3
178.08687	1.9
180.10175	1.2
184.07600	0.4
186.09178	0.6
188.10687	0.6
189.05463	2.4
190.12321	1.5
192.10190	3.9
192.13792	0.6
197.12949	0.7
198.13181	0.4
200.10696	0.7
201.05542	0.8
202.08612	6.2
202.12369	0.4
203.07094	0.5
204.10312	0.6
205.04977	1.6
208.13326	4.4
211.07520	0.5
213.05484	0.8
218.11761	5.6
219.01866	0.3
220.09683	17.0
220.13071	0.6
222.11310	2.5
225.09178	0.6
236.12819	7.8
237.13492	1.2
282.13425	1.6
302.69855	0.4
303.08939	0.5
305.07901	0.4
313.14532	0.5
316.19330	0.8
316.69644	1.3
324.10599	0.8
351.08569	0.9
357.14490	0.6
358.15347	2.0
367.16705	0.6
369.18155	0.5
383.14688	0.6
383.19611	6.2
385.17435	0.6
393.12091	0.6
401.20807	0.8
411.10510	0.6
411.19373	1.1
429.20215	100.0
430.20511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.118
Annotation	epsilon-Rhodomycinone
Peak:m/z	Relative Intensity
51.85614	1.1
53.03936	3.6
55.01868	3.2
55.05501	5.6
56.96559	2.5
57.03408	1.8
61.02909	1.2
65.03931	4.2
67.05508	7.3
69.03416	3.0
69.07078	3.0
69.66597	7.1
72.08162	1.8
73.02913	1.6
77.03935	1.7
78.05237	1.1
79.05473	9.8
80.03329	1.1
81.02985	1.5
81.03406	6.6
81.07040	5.3
83.04966	3.0
83.08598	2.3
85.02902	5.8
86.09708	12.4
89.03904	4.6
91.05466	8.8
93.07046	4.8
93.73408	1.2
95.04970	15.9
95.08601	3.3
97.02882	4.0
97.06499	1.5
97.10155	5.0
98.97586	1.4
99.04492	1.4
103.05455	3.5
105.03381	3.9
105.07033	5.9
107.04964	4.4
107.08573	3.0
109.02859	3.3
109.06503	1.5
111.08038	1.4
115.05457	1.5
117.03371	2.2
119.04958	6.3
119.08580	1.9
121.02836	3.4
121.06519	2.6
121.10164	3.0
123.04424	3.8
125.05953	1.3
125.09637	3.0
127.03890	2.9
129.03394	1.7
131.01271	2.6
131.04921	4.2
133.10126	3.5
134.19823	1.2
135.04414	2.4
137.05988	1.9
145.02837	13.8
146.11743	1.6
147.04417	15.0
147.11678	2.1
149.05971	2.6
150.42508	1.2
151.03899	2.4
158.06073	1.9
159.04468	3.1
161.02299	1.4
161.05988	2.4
162.03139	3.3
163.03938	4.7
163.11171	1.8
165.05357	1.4
165.07004	1.5
169.07622	1.9
171.11389	1.6
173.02365	10.0
175.03929	16.5
177.05467	7.3
177.06873	2.6
179.08565	1.7
182.60304	1.2
185.02278	1.3
189.05461	14.8
189.07051	4.0
190.05939	3.1
190.07709	2.1
191.03445	8.8
191.06004	2.4
191.08655	1.4
193.04965	5.0
193.06497	2.4
193.12289	1.7
197.00676	1.2
204.04199	9.1
205.04961	100.0
207.04831	1.4
207.06529	6.1
207.08173	2.0
211.13339	1.5
213.01831	2.8
213.05487	2.3
213.10345	1.7
215.06735	1.3
217.04834	2.3
217.06630	2.4
219.08080	2.2
221.06000	2.0
225.07564	18.6
229.04909	2.8
230.05708	5.0
233.05960	2.4
235.07458	2.4
241.01089	2.0
241.09763	3.9
245.06146	3.3
247.07545	1.9
249.05479	1.9
251.07011	1.4
255.06444	2.1
257.04373	1.4
259.10892	7.3
259.13174	1.3
263.07129	3.4
267.06537	2.3
267.16077	2.5
272.03070	1.6
273.03793	10.3
277.08578	1.9
279.06589	1.6
280.07260	1.5
281.08057	2.0
284.19525	1.5
287.05408	3.7
289.07065	1.9
290.06000	1.6
291.06522	4.5
293.08096	5.0
295.06033	1.5
295.09662	3.4
297.07681	1.6
305.08249	9.9
307.09677	2.4
309.07486	2.2
321.07556	6.5
323.09152	4.0
324.10129	2.3
333.07477	7.3
334.08127	1.3
335.09048	3.5
337.06900	2.9
339.08633	1.7
351.08652	21.4
353.10141	2.0
361.07391	2.2
365.10239	4.7
369.09735	11.5
379.08157	9.3
381.09573	2.9
383.11203	3.0
393.09467	2.2
397.09109	3.8
411.10712	11.1
411.19492	2.2
415.03909	1.3
415.09647	1.6
429.11771	53.1
429.20529	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	429.1182
Annotation	epsilon-Rhodomycinone
Peak:m/z	Relative Intensity
51.12836	1.4
53.03946	2.6
55.01874	2.9
56.73929	1.2
57.03447	1.8
61.02938	1.8
62.77537	1.6
65.03924	3.1
67.05512	8.2
68.35720	1.4
69.03419	2.7
69.23740	7.1
69.24155	5.1
74.79819	1.4
78.88628	1.3
79.05497	12.7
81.03410	5.7
81.07047	4.0
83.04993	1.9
85.02907	2.3
86.09704	2.2
89.03921	3.0
91.05480	13.4
93.03371	1.5
93.07032	3.7
95.04977	17.6
95.08631	1.7
97.02869	2.9
98.97605	2.5
103.05460	3.5
105.03398	5.4
105.04536	1.7
105.07008	3.6
107.04952	6.6
115.22823	1.3
117.03345	1.8
119.04974	7.2
119.08583	1.9
120.08112	2.3
121.02872	1.9
121.06570	2.4
123.00797	1.5
123.04424	2.8
129.03343	3.7
129.07039	2.2
131.04932	3.9
131.08607	1.6
135.04407	2.2
136.86275	1.4
137.06009	2.3
141.13133	1.4
143.04903	1.4
144.05713	1.9
145.02852	16.9
147.04424	10.9
149.01175	1.5
149.02367	1.7
149.06003	2.1
149.09637	1.6
151.03889	1.7
159.04439	2.2
161.02342	1.7
161.05949	2.6
162.03073	3.1
163.03902	4.3
163.11223	1.6
165.05511	2.2
165.06990	2.5
168.25967	1.8
170.03635	2.3
171.04509	2.1
173.02367	7.4
175.03874	12.0
177.05457	6.0
178.07817	3.5
179.07079	1.5
179.08556	3.2
183.08136	1.4
185.02490	2.0
187.03862	2.5
189.05467	20.3
189.07047	5.6
191.03381	10.3
191.08574	5.0
193.04982	3.0
199.04028	2.0
202.06073	1.5
204.04181	12.0
205.04965	79.2
205.06427	4.0
207.06427	3.3
207.08218	1.6
213.01869	3.9
213.05492	6.6
214.06287	2.1
215.03467	3.2
217.04832	3.9
217.06551	4.0
218.07321	2.6
219.02817	2.0
219.08058	3.4
223.07660	1.9
225.07654	5.1
229.04982	4.9
230.05742	24.7
233.06035	3.5
234.06810	2.3
235.07632	3.5
239.06972	2.1
241.01321	3.6
241.05017	2.9
243.02910	2.3
245.06110	4.0
246.06927	1.6
247.07561	3.8
249.05620	1.7
249.08151	1.7
251.07109	2.1
253.08821	1.7
255.06483	3.8
257.04510	2.4
258.05411	2.0
261.05405	2.4
262.06442	3.1
263.07074	6.5
265.08810	2.3
267.06534	3.2
272.03198	3.3
272.06882	3.2
273.04010	6.5
275.06964	3.4
277.08719	4.2
279.06378	2.0
281.08078	2.7
287.05460	2.2
288.06259	2.1
289.07104	3.1
290.05701	2.1
291.06516	6.1
292.07245	2.3
293.08044	9.3
295.09683	3.8
297.07849	1.9
301.04916	1.9
305.08099	19.2
306.08737	3.6
307.09561	3.5
309.07562	3.4
315.05038	1.8
315.08615	2.1
319.05936	4.1
321.07605	6.0
323.09183	7.1
324.10443	3.4
333.07574	10.7
335.09232	2.5
337.07114	2.4
337.10751	2.2
341.10355	1.5
349.07065	1.9
351.08643	69.7
353.10284	4.9
355.08261	3.3
355.15491	2.5
361.07236	2.3
365.10239	4.0
369.09683	39.1
379.08234	8.3
381.09802	2.0
383.11212	3.6
393.09573	3.6
397.09048	16.2
411.10806	11.0
429.11823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.71674	0.5
55.05512	7.0
57.03439	0.6
57.07076	4.7
67.05509	3.6
69.07066	27.5
71.08633	2.7
77.89332	0.6
79.05476	1.7
81.07053	7.9
83.04965	1.0
83.08621	10.0
85.10176	1.1
91.05476	1.6
93.07030	2.6
95.08058	0.6
95.08607	6.4
97.10156	7.1
105.07028	1.9
107.08598	3.6
109.10154	6.9
111.11732	3.1
117.07027	0.7
119.08568	3.2
121.10157	2.4
122.07281	1.3
123.11685	1.6
125.13248	1.5
131.08517	1.1
133.10159	0.8
135.08067	2.4
135.11684	1.2
137.09613	8.3
137.13275	0.8
139.07579	1.2
139.14790	0.7
143.08609	0.6
145.10107	1.1
149.09608	9.6
149.13191	1.2
151.07550	1.4
159.08163	0.6
159.11652	1.6
161.09605	0.7
163.07535	1.3
163.11189	6.5
165.09108	100.0
173.09642	1.8
175.07549	1.3
175.11166	3.0
176.08324	1.2
177.09091	5.6
177.12779	1.1
179.10611	1.7
185.09520	0.6
187.11133	1.5
189.09132	2.2
189.12747	1.3
190.09889	1.0
191.10651	7.0
199.11131	0.7
201.12726	1.6
203.10663	6.0
203.14328	1.6
204.11554	0.7
205.10454	0.9
205.12241	11.9
215.14235	0.7
216.11324	0.5
217.12296	1.8
219.13811	2.7
231.13797	2.1
233.15346	1.4
245.15500	0.6
247.16901	0.6
275.19977	0.9
289.21570	1.7
301.21555	0.6
330.15533	0.5
345.27863	1.8
357.27829	0.5
359.29385	0.6
371.29413	0.9
399.32483	1.0
409.34637	0.8
412.33246	0.7
427.11877	0.8
427.30121	1.5
427.35703	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	427.2692
Annotation	2-glyceryl-Prostaglandin H2
Peak:m/z	Relative Intensity
53.03930	7.0
54.83234	2.6
55.01856	8.1
55.05513	90.3
57.03436	16.3
63.58947	2.0
65.03915	2.2
67.05504	34.0
69.03426	13.1
69.07071	17.4
70.19583	6.9
70.19939	2.8
71.04995	5.6
71.94112	2.1
72.50629	2.1
77.41094	2.1
79.05492	59.3
81.03418	84.4
81.07062	51.7
83.04980	23.7
83.08162	3.4
83.08623	52.1
85.02904	25.2
85.06523	3.5
91.05486	32.8
93.07053	23.3
95.04452	3.0
95.04970	33.0
95.08627	15.4
97.02872	8.1
97.06529	4.9
97.10172	53.8
99.04474	3.8
99.08057	2.8
103.05473	2.7
105.07034	30.7
107.04928	8.9
107.08600	31.6
109.02844	2.5
109.06522	8.4
109.10150	4.3
111.04407	5.9
111.08060	12.9
113.06022	3.7
119.08592	29.2
121.06501	3.2
121.10158	14.2
121.10886	2.7
123.08077	3.5
123.11692	3.5
125.09625	39.5
129.07002	13.1
131.08560	17.4
133.06488	3.9
133.10155	16.4
135.11687	4.1
142.07788	6.1
143.10667	8.5
145.10091	7.4
147.08063	5.2
147.11673	24.6
149.09589	9.9
157.10141	22.2
159.11684	4.4
161.09543	3.2
163.11218	3.6
165.12758	7.2
173.13234	4.5
175.11200	13.7
183.11621	2.8
187.14824	2.1
189.05481	6.2
193.12250	92.4
199.13263	18.5
205.12285	2.4
211.13293	71.4
211.15277	4.0
217.14342	26.0
267.15924	38.0
285.16971	21.9
317.21216	8.1
333.37442	2.3
335.22144	13.2
391.25705	2.5
409.25912	49.1
427.12042	6.5
427.26920	100.0
428.27283	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01880	4.9
55.05510	25.4
57.03436	11.1
57.07090	6.1
61.02933	12.6
65.03942	2.5
67.05505	64.2
69.03429	100.0
69.06728	1.5
69.07070	18.8
69.48946	2.4
69.49361	5.6
71.05001	8.5
71.08631	3.2
73.02898	3.0
74.33585	1.0
79.05493	21.0
79.91123	1.0
81.03423	16.8
81.07056	71.0
83.04981	44.2
83.08627	13.4
85.02905	23.3
85.06533	1.6
85.10188	1.6
87.04469	4.7
91.05479	15.5
93.07047	21.2
95.04942	2.3
95.08604	56.0
97.02891	4.6
97.06538	4.3
97.10146	6.2
99.04454	22.6
99.08092	2.5
103.03951	4.1
105.07018	9.3
107.08589	11.6
109.10160	24.9
111.04444	24.0
111.08081	2.7
111.11719	1.5
113.09685	1.2
117.05469	1.5
117.06999	1.7
119.08580	6.1
121.10130	10.0
123.11693	8.9
125.09631	2.0
127.03921	4.1
129.05479	85.5
131.08554	1.0
133.10135	6.7
135.11682	7.0
137.13229	5.8
144.03874	1.1
145.10101	1.6
147.06523	14.2
147.11649	5.1
149.13251	4.8
151.11133	1.4
151.14816	1.8
153.12802	2.1
155.14316	1.1
161.13252	7.0
163.11050	1.2
163.14793	4.5
165.07597	6.9
165.16353	1.2
175.14799	4.7
177.16428	1.3
181.12216	1.2
185.13220	1.0
189.16403	3.1
194.04787	1.0
227.12790	2.8
231.10832	2.3
233.79155	1.2
245.22633	12.9
263.23691	16.4
288.11255	1.5
297.02112	1.1
363.17004	1.1
409.29504	33.4
410.29327	1.4
427.19586	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	427.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92494	0.7
53.03944	2.5
55.01865	2.9
55.05513	16.7
56.96558	1.6
57.03445	5.7
59.04993	3.7
61.02929	5.3
65.03938	1.1
67.05514	5.2
67.78555	0.7
69.03432	18.9
69.07069	6.1
70.06579	2.5
70.74596	0.7
71.04972	3.9
73.02911	2.5
77.03008	0.7
79.05492	5.1
81.03420	9.2
81.07057	8.3
83.04986	21.6
83.08611	2.5
85.02909	40.1
86.09703	1.4
87.04465	3.3
89.03925	4.8
91.03943	2.0
91.05502	5.9
93.07058	7.4
93.39941	0.8
95.04976	23.5
95.08617	7.2
97.02901	15.0
97.06538	1.7
97.10200	0.9
97.46578	0.8
98.97601	1.8
99.04451	2.1
99.08059	1.1
101.06017	10.8
101.06612	1.1
103.03954	1.0
105.07049	7.3
107.04978	2.1
107.08593	9.7
109.02876	5.3
109.06522	7.6
109.10152	8.1
111.04440	2.2
116.98636	0.8
117.03395	3.8
117.07029	1.6
119.04929	1.9
119.08606	6.0
121.06514	2.8
121.10161	6.8
123.08055	2.5
123.10954	0.8
123.11696	4.4
125.06026	1.7
125.09664	0.8
127.03931	8.2
129.06979	0.9
131.08548	3.5
133.10144	4.0
135.04439	6.8
135.08080	7.0
135.11693	9.0
137.05946	1.1
137.09712	1.8
139.11180	1.0
142.07672	0.8
143.00185	1.2
143.08536	2.3
145.02870	5.1
145.04945	5.2
145.10133	8.3
147.08054	1.6
147.11694	7.4
149.09607	3.0
150.62004	0.9
151.07579	1.5
153.12769	2.0
156.09396	0.8
159.08026	3.1
159.11642	2.3
161.01186	1.0
161.09682	1.7
161.13275	2.5
163.03912	34.8
163.07530	1.0
163.11197	6.0
163.14742	1.0
164.04257	2.9
165.12762	53.5
168.28709	0.8
169.08653	1.2
169.10027	1.0
171.11603	1.8
173.09593	1.3
173.13222	1.4
175.14769	1.4
177.09129	5.1
177.12700	1.1
177.16342	0.9
185.13234	1.1
187.14854	4.2
189.00761	0.8
189.05426	1.2
189.12767	3.8
191.10661	6.5
201.16400	1.5
203.14249	1.3
205.08455	0.8
205.15880	7.8
205.93678	0.9
211.14816	0.9
217.15808	0.9
219.17511	1.1
227.12802	1.5
229.15863	5.2
235.16847	1.5
237.00752	2.1
247.16954	34.2
265.18002	100.0
266.18396	0.9
303.04865	3.8
335.09003	1.0
340.99728	1.9
359.00729	2.5
377.01785	16.3
378.02078	3.1
395.02777	2.8
400.03296	1.3
401.02051	0.9
406.06717	1.1
406.57590	1.4
409.22696	1.3
415.06979	0.8
415.57764	0.9
427.11539	5.3
427.18787	5.0
427.24097	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	427.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92494	0.7
53.03944	2.5
55.01865	2.9
55.05513	16.7
56.96558	1.6
57.03445	5.7
59.04993	3.7
61.02929	5.3
65.03938	1.1
67.05514	5.2
67.78555	0.7
69.03432	18.9
69.07069	6.1
70.06579	2.5
70.74596	0.7
71.04972	3.9
73.02911	2.5
77.03008	0.7
79.05492	5.1
81.03420	9.2
81.07057	8.3
83.04986	21.6
83.08611	2.5
85.02909	40.1
86.09703	1.4
87.04465	3.3
89.03925	4.8
91.03943	2.0
91.05502	5.9
93.07058	7.4
93.39941	0.8
95.04976	23.5
95.08617	7.2
97.02901	15.0
97.06538	1.7
97.10200	0.9
97.46578	0.8
98.97601	1.8
99.04451	2.1
99.08059	1.1
101.06017	10.8
101.06612	1.1
103.03954	1.0
105.07049	7.3
107.04978	2.1
107.08593	9.7
109.02876	5.3
109.06522	7.6
109.10152	8.1
111.04440	2.2
116.98636	0.8
117.03395	3.8
117.07029	1.6
119.04929	1.9
119.08606	6.0
121.06514	2.8
121.10161	6.8
123.08055	2.5
123.10954	0.8
123.11696	4.4
125.06026	1.7
125.09664	0.8
127.03931	8.2
129.06979	0.9
131.08548	3.5
133.10144	4.0
135.04439	6.8
135.08080	7.0
135.11693	9.0
137.05946	1.1
137.09712	1.8
139.11180	1.0
142.07672	0.8
143.00185	1.2
143.08536	2.3
145.02870	5.1
145.04945	5.2
145.10133	8.3
147.08054	1.6
147.11694	7.4
149.09607	3.0
150.62004	0.9
151.07579	1.5
153.12769	2.0
156.09396	0.8
159.08026	3.1
159.11642	2.3
161.01186	1.0
161.09682	1.7
161.13275	2.5
163.03912	34.8
163.07530	1.0
163.11197	6.0
163.14742	1.0
164.04257	2.9
165.12762	53.5
168.28709	0.8
169.08653	1.2
169.10027	1.0
171.11603	1.8
173.09593	1.3
173.13222	1.4
175.14769	1.4
177.09129	5.1
177.12700	1.1
177.16342	0.9
185.13234	1.1
187.14854	4.2
189.00761	0.8
189.05426	1.2
189.12767	3.8
191.10661	6.5
201.16400	1.5
203.14249	1.3
205.08455	0.8
205.15880	7.8
205.93678	0.9
211.14816	0.9
217.15808	0.9
219.17511	1.1
227.12802	1.5
229.15863	5.2
235.16847	1.5
237.00752	2.1
247.16954	34.2
265.18002	100.0
266.18396	0.9
303.04865	3.8
335.09003	1.0
340.99728	1.9
359.00729	2.5
377.01785	16.3
378.02078	3.1
395.02777	2.8
400.03296	1.3
401.02051	0.9
406.06717	1.1
406.57590	1.4
409.22696	1.3
415.06979	0.8
415.57764	0.9
427.11539	5.3
427.18787	5.0
427.24097	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	427.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05273	0.6
55.05514	7.1
56.96564	0.9
57.03423	0.6
69.03420	2.6
69.07056	1.1
70.06594	0.6
71.05000	0.4
81.03419	0.5
85.02903	3.7
87.04471	1.0
91.05482	0.4
97.02898	2.6
97.10175	11.9
98.97598	2.2
105.07053	0.5
109.02956	0.4
110.97565	0.5
115.03940	1.1
115.11205	9.9
116.98615	0.6
117.71933	0.4
127.03955	0.5
133.05090	1.7
133.10118	0.4
133.12254	4.3
143.00113	0.5
145.04999	0.9
147.04465	1.0
150.07756	26.8
176.07126	0.4
184.62456	0.5
191.14394	0.4
197.58983	0.4
205.05345	0.6
223.06509	0.5
233.08594	0.5
247.17108	0.7
265.07474	1.5
265.14102	0.9
283.08444	1.8
295.11560	6.8
307.08588	1.6
312.78476	0.5
325.09814	0.6
397.18475	0.9
427.12604	10.6
427.19424	100.0
428.19455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46493	0.3
53.24127	0.3
55.05503	0.9
56.96549	0.9
57.03419	0.8
57.04533	0.7
58.54049	0.3
59.16066	0.5
67.05552	0.4
69.03415	1.2
69.07063	0.4
70.06572	0.5
70.82885	0.9
77.95724	0.3
78.14758	0.4
85.02903	1.2
87.04460	0.3
94.04040	1.2
95.04964	0.4
97.02880	0.7
97.10175	1.9
98.97559	1.7
102.83385	0.4
115.03947	0.4
115.11184	1.0
123.06654	0.8
127.04012	0.4
129.43752	0.3
133.12253	0.5
135.04408	0.7
135.34978	0.3
147.04422	0.5
147.08101	0.4
150.07748	89.4
158.99605	0.4
163.03893	1.9
203.05246	1.1
205.05383	0.9
208.26840	0.3
219.01648	0.4
223.06488	0.7
265.07590	2.3
265.14035	0.9
266.40121	0.3
282.11957	0.5
283.08566	2.6
295.11502	22.3
307.08615	2.6
308.40134	0.4
325.09622	0.4
334.06262	0.5
380.49283	0.4
397.18335	3.9
417.19803	0.4
427.13306	5.4
427.19403	100.0
428.19727	1.6
444.09219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.1
55.01878	9.8
55.05506	12.1
57.03438	17.8
59.04991	2.9
67.05511	13.0
69.03088	2.9
69.03430	34.3
69.07057	7.1
71.04991	12.5
71.55867	2.3
79.05494	17.8
81.03418	75.0
81.07054	14.9
82.07381	1.6
83.01332	3.2
83.04982	23.0
83.08627	7.8
85.02905	9.3
91.04985	1.5
91.05476	9.2
91.54604	1.4
93.07041	26.0
95.04960	5.9
95.08620	8.9
97.02293	2.8
97.02890	31.6
97.06516	9.0
97.10143	3.4
97.26254	1.4
99.04451	11.1
105.07036	5.4
107.04945	4.2
107.08589	14.8
109.02882	15.8
109.10155	6.2
111.04459	16.0
111.08068	3.7
117.06977	3.6
119.08611	6.1
121.06498	2.6
121.10149	8.0
123.04419	2.4
123.08035	2.7
125.05994	1.8
125.09608	1.8
127.03922	22.0
131.08536	4.2
135.08011	2.4
135.11697	15.9
145.04944	2.1
145.10101	7.8
149.09665	2.3
149.13023	1.4
153.12750	20.9
155.08554	1.9
163.11189	15.7
173.09641	3.1
181.12244	16.8
191.10646	8.6
209.11700	5.3
227.12782	35.6
283.15448	4.6
353.16028	13.3
371.17200	1.8
427.19623	100.0
428.19830	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	427.1214
Annotation	Asn-Trp-OH
Peak:m/z	Relative Intensity
57.70570	0.4
70.88941	0.8
70.89298	0.4
73.78950	0.4
113.99191	0.4
185.04240	0.5
203.05293	1.3
215.03259	0.5
229.86330	0.4
232.74030	0.4
233.04230	2.6
247.05695	0.7
265.06885	3.1
277.73978	0.4
294.17831	0.4
313.52795	0.4
395.09113	0.5
409.11075	2.0
427.12137	100.0
428.12424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.173
Annotation	Parvixanthone I
Peak:m/z	Relative Intensity
50.68515	1.4
51.08205	1.5
54.96431	1.8
55.05505	1.7
55.90202	1.4
56.96531	5.7
62.36499	1.6
65.03905	1.7
68.69168	1.8
70.06577	2.7
71.04939	1.6
71.55365	2.9
75.91496	1.7
79.05503	2.3
81.03387	2.3
85.02879	3.1
91.05466	1.6
93.06968	1.7
96.83575	1.7
98.97578	20.8
105.03340	2.2
105.07012	2.4
109.06480	2.3
110.97531	3.3
116.98560	6.7
124.07645	1.9
142.92896	1.6
146.05930	5.6
158.99658	4.0
177.00685	1.8
179.03293	7.3
181.04909	6.6
199.90715	1.7
201.04259	2.6
219.01712	2.5
237.02805	3.4
242.08144	1.9
247.16734	2.5
251.31972	1.8
253.16557	1.7
265.07202	2.8
265.10898	4.6
265.15265	2.4
276.61423	1.9
283.12009	6.1
286.06949	2.9
307.11917	5.6
325.12955	5.2
377.01358	2.1
427.11530	11.8
427.17148	100.0
428.17291	1.9
445.17551	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	427.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08002	0.6
70.84148	1.0
70.84477	1.2
81.22811	0.7
101.00871	1.5
103.00632	0.6
109.04186	0.7
119.01906	0.9
120.89636	0.6
143.01939	1.3
145.01654	1.6
147.95869	0.7
157.03522	1.2
163.02682	1.5
165.89532	0.7
187.02718	2.2
199.02757	0.8
203.05344	1.4
205.03712	0.7
223.04739	0.7
223.06541	3.5
231.35135	0.7
233.04167	0.9
238.49223	0.6
247.04837	5.0
265.06964	4.7
276.31989	0.7
295.08722	0.9
367.10858	3.3
409.11115	0.8
427.06577	12.3
427.12073	100.0
427.18799	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	427.1214
Annotation	Asn-Trp-OH
Peak:m/z	Relative Intensity
50.19110	0.4
53.50244	0.3
55.05502	0.6
61.41111	0.3
69.03413	1.0
71.04995	0.3
71.09377	0.7
85.02905	1.1
91.14111	0.3
95.01118	0.4
97.02902	0.4
97.10161	0.9
98.97592	0.5
115.03941	0.4
115.11234	0.4
121.04780	0.4
127.80396	0.3
133.57225	0.4
150.07790	0.4
186.76062	0.3
189.91208	0.4
203.05307	1.3
233.04288	1.3
247.05838	0.7
265.06943	0.9
292.34344	0.4
303.05081	0.6
306.95575	0.4
325.05896	0.8
334.06369	0.8
334.56512	0.5
377.01926	0.9
378.02673	0.4
395.09494	0.7
397.18201	0.5
427.12122	100.0
427.18918	4.7
428.12497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12534	0.8
55.01863	1.0
55.05510	3.3
57.03436	4.8
57.07072	1.0
59.04993	3.0
61.02921	3.8
67.05506	42.8
69.03432	2.4
69.07076	1.1
70.06577	3.1
71.04997	3.5
71.55949	1.5
73.02905	2.7
79.05502	1.8
81.03418	1.4
81.07063	5.5
83.05012	1.1
83.08613	4.2
85.02906	6.7
85.06554	1.8
85.56219	0.8
91.03961	1.8
91.05466	2.2
93.07043	3.1
95.08627	2.9
97.02887	3.5
98.97593	1.6
103.03935	1.9
107.08628	1.8
108.79929	0.8
109.02890	1.6
109.10159	51.6
111.04404	0.9
111.08067	2.4
115.03912	1.1
119.08611	4.8
127.03951	2.1
133.04953	1.0
136.07564	1.4
137.09622	2.4
145.04947	1.1
155.10678	8.5
172.19447	1.0
173.11740	24.2
199.07397	1.0
211.13402	1.5
229.14360	100.0
247.15414	1.0
257.06049	1.3
259.14017	0.9
264.12427	1.5
289.08481	0.9
312.51035	0.8
349.10699	1.7
391.19708	1.6
426.20221	1.4
427.12134	1.9
427.19397	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05508	22.5
57.07084	7.7
67.05499	29.2
69.07072	58.0
71.47364	6.8
79.05484	14.7
81.07056	98.7
83.08623	18.2
89.06020	7.5
91.05487	11.3
93.07051	52.5
95.08613	100.0
97.10126	7.8
105.07043	38.3
107.08598	59.3
109.10167	58.8
111.11731	8.5
115.67049	4.6
119.08595	31.9
121.10149	52.2
123.11739	29.0
127.11209	15.0
131.08560	7.2
133.10172	29.7
135.11679	34.8
137.13264	16.7
145.10118	22.4
147.11711	29.7
149.13249	30.3
151.14795	7.0
157.10159	9.5
159.11713	24.1
161.13284	22.9
163.14862	13.9
164.13797	5.1
173.13254	16.3
175.14801	17.2
177.16423	16.2
185.13261	7.5
187.14915	10.4
189.16431	17.4
191.18047	9.7
193.15973	7.2
194.77133	5.8
201.16394	10.1
203.17992	12.6
208.80923	6.2
215.17958	10.3
217.19597	13.0
229.19574	12.6
231.21045	6.6
240.15105	5.9
243.21231	7.7
257.22717	7.6
269.22617	6.8
343.30072	5.1
380.68079	6.6
393.03424	5.8
407.36786	12.7
425.31888	13.5
425.37775	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	425.3416
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
53.03937	0.9
55.01843	0.9
55.05510	7.3
56.47004	0.8
56.96568	0.8
57.03418	1.0
57.07064	4.1
65.03946	1.3
65.41855	0.7
67.05172	1.4
67.05507	13.1
69.03414	1.2
69.06741	1.2
69.07072	14.6
69.26270	4.0
69.26703	3.0
71.08620	1.4
74.75789	0.8
79.05490	9.8
81.03445	1.1
81.07057	38.1
83.08620	6.4
85.02926	0.8
88.34368	0.9
89.03914	8.6
91.05476	11.7
93.07049	25.9
95.04951	1.0
95.08610	67.0
97.02862	1.2
97.06501	0.9
97.10160	3.4
103.05466	0.8
105.07021	20.7
105.07697	1.5
107.08597	36.1
109.10157	28.0
111.11745	1.7
117.03381	24.1
117.07011	3.6
118.03677	1.0
119.08581	33.6
121.10149	27.1
123.11700	13.0
128.06226	0.9
129.07040	2.1
131.08575	10.5
133.10135	25.7
134.03670	1.7
135.04366	1.0
135.11691	23.3
137.13263	17.8
143.08542	3.5
145.02850	52.8
145.10109	10.7
146.03203	1.7
147.04367	1.1
147.08099	0.9
147.11690	24.5
149.05988	6.4
149.13257	22.0
151.14832	4.0
153.09134	1.4
157.10136	6.0
159.11710	12.0
161.13257	18.6
163.14854	14.5
165.16420	1.8
167.10704	0.9
171.11679	5.7
173.13263	11.7
175.14832	16.8
177.05475	90.2
177.16408	11.4
178.05809	4.3
179.10751	1.0
183.11739	1.4
185.13251	1.8
186.05522	2.4
187.14851	6.1
189.16385	61.5
191.17958	42.2
193.12242	1.5
199.14839	4.5
201.16393	13.5
203.17961	27.1
203.19777	1.8
205.19489	2.0
207.13814	1.2
207.17516	1.9
209.15364	1.0
213.16437	2.7
215.17973	12.7
217.19521	13.3
219.13867	1.4
225.16289	0.9
227.17944	15.8
229.19527	18.7
231.10153	3.3
231.21107	4.9
233.06815	0.8
233.15216	0.9
235.16916	11.9
241.19533	18.0
243.21126	8.7
247.16977	4.4
248.78867	0.8
249.11237	0.8
249.18559	1.0
255.21143	6.4
257.22729	2.4
259.16971	1.0
261.18475	7.5
267.20944	1.0
269.22705	2.6
273.18484	18.1
275.20047	8.5
283.24133	2.0
287.20065	17.3
289.21677	1.2
291.46188	0.8
295.24158	0.9
301.21542	4.8
309.25790	2.2
315.23218	2.5
327.22998	1.1
337.28818	1.8
341.36115	0.8
355.26273	2.9
370.71927	0.9
379.33594	32.5
383.29593	1.1
407.33252	2.8
425.34146	100.0
426.34595	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	10.4
57.03432	1.5
57.23511	1.2
59.05012	1.6
61.02906	1.7
67.05497	2.0
69.03434	6.6
69.07059	4.7
69.50690	2.4
69.51100	5.6
70.06584	4.2
71.04990	5.5
72.08141	4.5
73.02909	1.6
79.05486	2.7
81.03407	2.0
81.07082	6.6
83.04977	9.2
83.08631	11.7
85.02902	7.9
85.06535	3.7
86.09687	4.4
87.04470	1.6
91.05486	3.8
93.07045	10.1
95.04969	22.6
95.08624	6.3
97.02885	3.1
97.06519	4.8
97.10117	1.2
98.21493	2.8
98.97622	6.2
99.04463	7.3
105.07014	4.8
107.08598	14.4
109.06516	4.6
109.10170	7.9
110.97629	1.5
111.08093	3.7
115.07568	9.2
116.98616	2.8
119.04936	1.7
119.08578	4.3
121.10143	35.4
123.08092	1.6
123.11674	3.3
125.09605	4.0
131.08566	3.1
133.10129	9.7
135.08115	2.8
135.11684	3.4
136.07535	1.9
137.09631	2.2
139.11140	2.1
145.04944	2.1
146.05989	1.4
147.04453	4.0
147.11705	3.6
149.13258	3.1
151.11182	14.8
153.09116	7.8
158.99672	3.2
163.14838	11.1
164.07030	2.2
167.14328	15.1
173.13232	8.8
175.14853	2.6
177.00708	1.6
189.05481	1.5
191.14304	16.4
209.15372	100.0
213.10991	1.5
215.13791	1.4
222.08485	1.6
225.07607	1.9
227.16447	12.8
297.10135	1.4
425.17783	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	425.1419
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
57.01929	0.4
61.76620	0.4
69.60416	0.3
70.98031	0.8
78.56034	0.3
81.03404	0.4
84.04528	0.4
85.02922	0.4
91.05491	1.3
124.07542	0.4
136.07570	1.1
144.50061	0.3
152.55647	0.4
164.07040	0.6
286.13919	0.4
293.09967	1.1
301.53992	0.3
425.14200	100.0
426.14755	2.1
431.60147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3411
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05501	11.8
56.96564	6.7
57.07061	7.3
67.05503	19.2
69.07057	15.5
69.87755	3.2
71.56419	3.6
79.05482	9.8
81.07050	47.0
83.08617	10.5
91.05477	11.5
93.07055	28.0
95.08611	80.5
95.42445	3.6
97.10159	6.0
98.97595	8.5
105.07040	24.3
107.08601	35.7
109.10157	30.4
111.08002	3.5
114.93567	3.4
117.06998	4.0
119.08598	38.7
121.10149	37.2
123.11703	10.7
129.06953	4.6
131.08560	11.3
133.10106	32.7
135.11662	25.1
137.13275	18.8
137.14137	3.2
139.51761	3.9
143.00150	3.7
143.08559	7.0
145.10123	14.8
147.11684	24.9
149.13271	28.6
151.14919	4.5
157.10193	5.4
159.11656	17.8
161.13242	19.1
163.14775	10.9
171.11678	8.6
173.13286	10.2
175.14838	13.8
177.16360	12.8
177.73734	3.0
183.11716	4.2
185.13161	4.3
186.99129	5.8
187.14828	10.8
189.16399	61.3
191.17953	55.5
201.16428	12.1
203.17961	23.0
205.00381	4.2
213.16353	5.0
215.17867	17.0
217.19501	11.5
227.17963	19.2
229.19514	17.8
231.20959	3.9
235.17000	10.9
241.19487	16.6
243.21107	7.3
246.97748	3.5
255.21074	8.5
261.18512	5.5
273.18518	19.9
275.20084	6.7
287.20190	18.9
301.21579	5.2
355.26443	3.6
379.33502	31.7
425.21143	5.6
425.34122	100.0
426.28574	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	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01876	1.8
55.05275	0.9
55.05517	11.9
56.96572	2.4
57.03425	3.8
57.07080	4.9
57.64911	0.9
59.05021	1.0
61.02937	1.3
65.03957	1.3
67.05510	29.7
69.03443	1.8
69.06734	1.0
69.07079	15.2
69.26291	3.8
69.26718	4.6
71.04994	2.5
71.08633	5.1
72.41750	0.8
79.05491	11.7
81.07066	31.2
83.04990	15.6
83.08637	7.5
85.02912	1.1
85.06553	5.1
90.55756	0.8
91.05492	10.0
93.07052	20.7
93.07639	1.1
95.04970	2.3
95.08619	25.2
97.02912	1.2
97.06539	2.4
97.10159	1.9
98.97620	1.2
99.08096	2.3
105.07035	12.3
107.08608	18.4
109.06532	13.8
109.10166	24.0
111.08097	2.8
111.11706	0.9
117.07050	3.0
119.08588	14.0
121.06517	2.0
121.10153	15.7
123.08083	32.8
123.11727	5.6
129.07027	1.4
131.08600	9.0
133.10150	13.0
133.79706	0.8
135.08069	7.1
135.11676	6.8
137.09665	3.4
137.13275	1.2
143.08582	3.0
145.10130	9.8
147.08069	1.4
147.11716	7.1
149.09682	2.8
149.13264	6.4
151.11235	1.7
153.09212	1.0
155.08600	1.4
155.10727	1.7
157.10153	4.2
159.11685	8.8
161.09641	1.9
161.13322	3.7
163.11191	1.0
163.14833	3.8
165.12718	1.2
167.10782	1.1
167.14317	1.5
169.10214	1.6
171.11740	2.9
173.11772	3.8
173.13322	5.8
175.11209	1.8
175.14862	2.9
177.12839	4.3
177.16394	1.3
179.14319	58.7
183.11711	2.5
185.13318	3.4
187.11235	1.2
187.14809	4.3
189.16429	2.3
191.14185	1.2
193.15961	2.0
195.11845	0.9
195.13884	1.3
197.13324	2.4
199.14868	2.8
201.16449	2.7
203.14328	2.0
203.18008	1.0
205.15944	2.0
209.13254	1.2
211.14851	1.3
213.16476	2.0
215.14270	1.3
215.17967	1.2
219.17587	1.0
224.07863	0.9
229.07498	4.1
251.20146	1.3
253.19733	1.1
257.29156	0.9
263.20132	1.3
275.20129	1.7
293.21268	1.4
297.25925	1.7
303.26956	2.2
307.24268	2.8
325.25266	5.6
331.22406	1.6
331.26321	27.6
331.30063	1.4
349.27478	10.5
367.25110	1.4
405.30835	3.5
423.31464	100.0
424.31961	1.8
430.57648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
55.05510	6.0
56.72116	0.7
57.03428	3.3
57.07066	2.4
65.93308	0.7
67.05508	8.9
69.06735	1.0
69.07070	10.4
70.79097	1.6
70.79433	1.1
71.04985	1.1
71.08620	2.7
79.05496	4.2
81.07059	13.2
81.38427	0.7
83.05009	0.8
83.08613	5.0
85.06546	0.9
90.80005	0.8
91.05473	3.3
93.07037	8.2
95.04968	1.8
95.08609	10.6
97.06531	2.2
97.10175	3.1
105.07032	4.5
107.08595	8.0
109.06516	8.2
109.10159	5.9
111.08083	1.7
113.00001	6.0
117.07013	1.0
119.08565	5.4
121.06548	0.8
121.10136	6.0
123.08064	39.5
123.11711	1.3
131.08585	2.6
133.10149	3.5
135.08060	6.3
135.11707	3.8
137.09607	3.2
137.13208	0.9
139.03839	0.7
145.10139	2.8
147.11700	3.0
149.09560	2.1
149.13278	2.6
157.10161	1.0
159.11723	2.3
161.13301	2.0
163.11244	1.2
165.12740	0.8
169.02611	4.7
173.13243	1.6
175.14845	1.2
177.12762	3.3
179.14317	16.9
185.24023	0.7
187.14886	0.9
201.16414	0.9
205.15862	1.1
222.18875	0.8
263.20059	1.7
275.20129	4.5
293.21094	3.6
303.26740	3.7
311.25882	6.4
331.26285	22.5
349.27432	7.0
367.24759	1.0
386.34195	0.7
405.30096	1.3
423.31079	100.0
424.31387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27732	0.5
55.01845	0.6
55.05510	5.3
57.03422	1.9
57.07055	1.5
63.32092	0.5
67.05179	1.0
67.05506	10.1
69.07072	7.0
69.51451	3.8
71.04980	1.3
71.08620	1.6
75.41737	0.5
79.05502	4.7
81.07059	9.9
83.04951	1.0
83.08627	3.1
85.06528	1.5
91.05473	2.7
93.07044	5.7
95.04978	0.9
95.08604	8.9
97.06519	1.2
97.10149	1.4
98.20760	1.2
99.08081	1.1
105.07027	4.9
106.02543	0.6
106.05854	0.6
107.08588	6.5
109.06517	9.8
109.10160	4.6
111.08070	1.4
117.07023	0.7
119.08578	4.4
121.06501	0.6
121.10147	4.5
123.08069	34.0
123.11694	1.7
131.08551	1.3
133.10117	2.9
135.08038	6.0
135.11684	2.2
137.09599	2.0
145.10152	2.0
147.11714	2.5
149.09625	1.9
149.13248	1.4
159.11646	2.7
161.13222	1.3
163.11230	0.6
173.13263	0.8
175.14789	0.9
177.12790	2.0
179.14311	26.9
193.15862	1.2
205.15849	1.0
233.19057	1.3
237.20564	0.6
247.20554	0.7
263.20163	1.5
269.47510	0.5
275.20038	3.1
289.21701	0.7
289.25259	1.0
293.21231	2.7
303.26712	2.9
313.25061	0.7
331.26321	23.9
346.72778	0.5
349.27414	5.9
367.24844	1.9
405.29926	1.3
411.08109	0.6
423.31079	100.0
424.31482	1.9
424.84961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2352
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
53.03947	0.5
55.01873	0.6
55.05495	1.0
56.96551	1.2
57.03435	0.7
61.02908	1.3
67.05232	0.3
67.05510	3.3
69.03429	0.8
69.07056	1.1
69.59934	2.6
71.04957	0.6
73.02921	0.6
73.56702	0.3
74.70802	0.3
77.78438	0.3
78.56028	0.3
79.05499	1.9
81.03403	1.5
81.07063	2.9
83.04968	0.5
83.08608	0.9
85.02899	1.2
91.03973	0.4
91.05461	1.6
93.07037	2.3
95.04964	0.7
95.08607	2.0
97.02869	1.3
97.06526	2.2
97.10199	0.4
98.97556	0.4
105.07033	1.4
107.08581	1.6
109.10155	2.5
111.08057	0.5
117.06994	0.9
118.22564	0.4
119.08588	1.3
121.10113	0.4
127.03886	0.8
130.45731	0.3
131.08551	1.2
133.10104	0.9
135.11682	0.9
143.08548	0.6
145.04897	0.4
145.10081	0.9
146.11320	0.4
146.51437	0.4
147.11661	0.8
149.13327	0.6
157.10187	0.5
159.11658	1.0
163.03914	0.5
173.11729	0.7
187.14963	0.5
187.16792	0.4
189.05399	0.4
191.17967	0.4
215.07062	0.5
215.17903	0.4
217.07481	0.5
226.07939	0.4
243.08908	0.9
255.06750	0.4
255.09077	1.6
259.09723	0.6
267.08963	2.2
268.09311	0.5
285.10056	3.2
309.11005	1.3
324.11533	1.6
324.61810	0.5
342.19922	0.4
343.72937	0.5
349.19739	1.3
423.23495	100.0
424.23843	1.6
432.75217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.1
53.03936	4.5
55.01869	3.2
55.05515	16.6
56.07070	1.2
57.03427	2.2
57.07061	3.0
65.03938	2.7
67.05509	32.7
68.99750	1.2
69.03431	5.6
69.07068	16.0
69.73500	6.8
71.00973	1.5
71.01357	19.0
71.04976	5.4
72.84232	1.1
79.05494	26.7
81.03419	2.9
81.07061	43.7
83.04987	9.4
83.08619	5.8
85.02898	1.9
85.06536	4.3
91.05482	35.0
93.07050	52.4
95.04405	1.4
95.04965	8.7
95.07993	2.0
95.08608	36.8
97.02847	1.2
97.06534	14.4
97.10159	1.8
98.20866	2.7
98.97550	1.2
99.04480	6.1
99.08086	1.9
103.05479	1.6
105.07037	54.5
107.04951	5.6
107.08599	50.5
108.08921	1.3
109.06527	15.1
109.10158	25.9
111.08089	10.4
115.05453	4.7
117.07009	14.0
119.08586	63.6
121.05679	2.1
121.06508	24.9
121.10147	44.6
123.08086	10.6
123.11688	5.8
125.06030	1.8
125.09620	2.1
127.07541	8.8
128.06204	9.2
129.06989	14.9
130.07791	4.5
131.07596	2.7
131.08574	39.2
133.06497	7.4
133.10136	38.2
135.07123	1.9
135.08058	19.3
135.11694	14.5
137.09653	6.4
137.13208	1.5
141.06970	9.2
142.07780	18.4
143.08571	40.0
144.09427	7.4
145.06491	5.6
145.10124	53.1
147.08057	21.0
147.11671	18.1
149.02292	2.2
149.09656	8.3
149.13258	12.4
151.07594	3.1
151.11229	2.2
153.07019	4.2
154.07738	3.4
155.07333	0.9
155.08553	24.9
156.09355	14.3
157.10132	57.1
158.07283	1.9
158.10864	5.2
159.08081	13.4
159.11705	39.2
159.13023	2.0
161.09642	22.4
161.13266	29.9
163.11217	10.2
163.14848	2.7
165.07001	3.1
166.07774	2.8
167.08592	10.9
168.09363	8.1
169.10130	40.1
170.10899	23.2
171.08058	4.8
171.11699	36.2
172.08824	3.5
173.09641	12.2
173.11774	2.9
173.13252	26.8
174.10225	1.2
175.11220	11.4
175.14838	11.5
177.12755	19.6
179.08513	6.9
180.09373	2.6
181.10101	19.8
182.10921	9.4
183.11705	59.7
184.12296	1.5
185.09694	5.1
185.13268	100.0
186.10463	6.2
187.11215	11.1
187.14819	21.3
188.11852	1.7
189.12756	18.5
189.16417	3.5
191.14339	4.3
193.04973	2.4
193.10135	7.9
194.10866	5.4
195.11702	17.8
195.13625	2.8
196.12463	4.7
197.09499	1.9
197.13271	29.7
198.10358	1.7
198.14069	6.9
199.06339	1.5
199.11198	5.8
199.14828	20.5
201.12756	39.4
201.16287	5.9
202.13428	1.4
203.14317	91.7
205.10277	2.1
206.10933	2.5
207.11699	8.0
207.13770	3.7
208.12482	5.1
209.13254	15.5
210.14046	2.3
211.11342	2.2
211.14828	28.2
211.16768	2.0
213.12782	3.9
213.16391	3.9
215.14320	13.6
215.17970	2.2
217.15933	5.5
219.11772	2.8
220.12453	2.5
221.13264	9.8
222.14011	2.7
223.12791	1.5
223.14850	24.6
225.16438	11.1
227.14418	3.5
227.17929	3.0
229.07416	3.5
229.15880	22.4
233.13242	2.9
234.14148	1.9
235.14787	7.5
237.12704	1.7
237.16412	14.8
239.14282	2.4
239.17889	7.0
241.15904	4.8
243.09000	1.4
243.17569	2.5
244.12413	1.7
245.13162	1.4
245.15398	1.9
247.08650	1.5
247.14928	3.9
249.16380	6.8
251.17984	11.7
253.15929	1.9
253.19521	1.9
255.17488	3.5
257.26767	1.7
259.14841	2.1
261.16412	4.2
263.18134	5.7
265.19525	5.4
267.09232	1.5
267.17410	2.0
269.19144	2.3
275.17966	3.9
277.19507	4.3
278.20120	1.5
279.21118	1.9
281.19110	1.2
285.09943	1.8
287.18015	1.7
289.19482	2.4
291.21246	1.7
293.18878	1.5
295.20493	2.2
305.22629	1.6
311.19830	1.7
313.19315	1.4
317.19131	2.5
317.22708	3.0
319.20712	1.7
319.24219	5.1
323.23810	2.1
329.22379	1.6
331.20438	1.5
333.22360	1.7
335.20099	3.6
337.41913	1.4
343.24289	2.7
345.22043	2.2
347.23837	2.0
349.21521	2.3
359.27298	2.8
361.25189	3.4
363.26782	1.8
369.25638	3.6
377.28375	4.6
387.26840	24.5
405.27893	54.5
406.28421	2.3
423.28864	75.5
424.27573	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01857	3.8
55.05503	1.2
57.07072	1.4
60.04516	1.0
61.01146	8.7
66.93253	0.8
67.05504	2.1
69.03421	5.0
70.06577	3.8
71.04996	1.6
71.40945	2.0
72.04523	9.7
72.08144	2.5
73.02907	2.6
78.03793	13.4
79.05505	4.5
81.03385	2.5
81.07067	1.4
83.04973	3.1
84.04490	0.9
84.08118	1.0
84.96048	0.8
85.02909	13.3
85.06535	2.1
86.06049	1.5
86.09701	2.5
87.04474	2.1
88.02222	4.6
91.05479	9.5
91.09226	0.9
92.05819	1.3
95.04959	3.2
95.08575	0.8
97.02879	3.8
98.02429	1.9
98.97575	3.6
99.04456	5.0
99.05576	4.3
102.03770	22.9
103.02167	2.9
103.03941	13.8
104.01677	1.4
105.06976	1.1
106.00507	1.1
109.02859	5.8
112.07568	1.8
113.06006	1.5
114.03789	2.4
114.05531	2.6
115.03937	1.3
119.04923	2.5
119.08545	1.1
120.04765	2.9
120.08100	3.4
121.10144	1.3
123.04407	1.3
125.07101	1.1
126.05519	16.9
127.03901	7.6
130.08626	2.0
131.06387	15.6
132.04793	12.4
142.08650	5.8
145.02785	1.0
145.04924	1.4
147.04367	4.1
147.05698	1.3
148.03795	0.9
149.07442	49.5
152.07050	1.7
154.08656	2.2
156.06514	1.3
158.99663	1.8
159.05870	2.2
163.03912	2.2
166.08571	0.9
167.06967	1.0
175.03928	2.3
175.05392	3.7
177.05486	2.1
180.06558	11.4
184.09700	2.8
186.05853	1.1
189.05469	1.3
190.05807	0.9
196.56586	0.8
198.07584	3.2
205.04852	1.4
207.13844	1.0
208.06912	1.5
216.08725	2.2
225.07573	1.9
226.07881	1.0
231.11621	3.8
249.03116	1.1
257.09448	2.2
261.12607	4.1
275.10504	2.6
293.11655	100.0
345.10645	1.0
387.11230	1.2
405.16946	32.3
423.13196	1.7
423.21802	2.5
441.10214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62641	5.3
53.07516	5.1
55.05503	12.9
56.96562	19.7
57.03431	5.3
58.47210	5.5
60.27534	5.4
61.02913	21.3
63.11073	5.2
66.86057	5.8
67.05517	45.3
69.03424	13.5
69.07057	19.4
69.30751	21.5
69.31179	28.7
71.04963	9.1
73.02911	8.4
73.37915	5.6
79.05477	23.5
81.03421	11.0
81.07056	52.0
83.08585	8.2
84.40548	5.7
85.02884	19.1
91.03950	9.1
91.05485	29.6
93.07042	35.1
95.04957	5.7
95.08602	35.9
97.02891	16.3
97.06504	16.8
98.42463	5.9
99.04398	5.9
103.05454	5.7
105.07038	14.4
107.08565	28.1
108.05054	5.4
109.10149	31.8
117.07023	6.4
119.08582	16.5
121.10164	14.0
127.03902	6.4
131.08614	9.1
133.10101	9.3
135.11687	15.7
143.08592	7.9
145.10133	11.2
147.11736	16.2
149.13240	10.6
159.11713	8.1
161.13277	8.0
163.03931	9.3
187.14774	6.2
203.00116	12.9
212.99478	100.0
214.86115	5.8
221.01205	18.0
225.07578	8.2
226.07791	12.5
229.07553	15.3
231.10260	17.2
245.02197	28.4
251.02391	13.1
267.09125	19.7
269.10565	12.3
285.10193	14.1
338.31918	6.5
367.17926	12.2
379.04993	6.9
391.05704	77.2
395.08984	12.2
405.07098	6.5
423.08395	18.6
423.22635	13.5
423.27521	17.0
423.32312	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	423.126
Annotation	SC-51089
Peak:m/z	Relative Intensity
54.05328	1.0
55.21089	1.0
56.87587	1.1
61.21454	1.1
71.24361	2.3
78.21077	1.1
85.02892	1.3
86.43181	1.0
89.28312	1.1
109.95984	1.0
120.10889	1.1
136.44885	1.2
146.51797	1.0
203.05171	1.5
203.69592	1.1
223.06618	1.4
238.51193	1.1
365.10382	3.6
387.13480	4.8
423.12549	100.0
424.12692	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02459	2.3
61.61736	2.2
67.05524	10.0
69.03431	3.3
69.50978	8.4
69.51398	7.0
70.64500	1.8
79.05520	5.0
81.07093	2.5
85.02898	8.5
91.04983	3.6
91.05488	43.7
95.04965	15.0
98.20884	4.7
99.00858	2.2
105.03402	2.8
119.04947	69.5
123.04414	12.6
129.03381	5.1
131.03445	5.0
133.06497	2.3
137.06053	2.9
137.22928	2.3
145.02806	2.7
145.04921	2.6
147.04416	100.0
161.05983	6.1
161.75743	2.4
163.50748	2.7
165.05508	10.5
175.03906	62.4
179.07056	6.0
189.03752	2.4
189.05478	46.0
193.04953	27.0
207.06541	74.2
225.07576	71.8
234.38568	2.0
328.46246	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33998	2.2
50.38986	2.2
50.52205	2.5
65.03916	3.1
67.05501	9.7
69.03408	2.6
69.51124	16.7
69.51524	6.2
79.05485	5.4
81.07063	2.9
85.02896	9.5
91.05486	50.3
95.04957	14.4
97.02895	3.3
99.00825	3.3
107.04998	3.5
110.01332	2.5
119.04947	78.6
123.04438	17.4
128.27876	3.4
129.03363	5.5
131.03409	3.6
133.06573	4.9
145.02898	3.3
145.04919	2.5
147.04416	100.0
149.05968	3.9
161.05963	7.0
165.05519	8.4
171.79243	2.6
175.03914	65.8
179.07013	10.4
189.05476	49.3
193.04985	23.4
207.06526	77.6
225.07594	83.3
274.74826	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.1
61.02915	4.6
62.71779	2.5
65.03926	3.5
65.68222	2.5
67.05516	14.7
69.03426	20.4
69.81249	14.9
69.81584	2.7
71.01357	4.7
79.05480	4.0
81.03413	6.7
81.07046	5.2
83.04955	4.7
83.64594	2.3
85.02905	33.3
87.04438	3.0
91.05487	46.3
93.03376	5.2
93.07066	3.6
95.01320	3.1
95.04964	34.8
95.08592	4.4
97.02888	29.5
103.03932	2.9
105.07031	3.7
107.04944	6.1
107.08548	3.4
109.02832	4.0
109.06501	10.0
111.04422	7.0
115.03934	3.3
119.04952	57.5
121.02901	16.3
123.04430	80.8
125.02361	7.4
127.03946	4.5
135.04404	6.7
135.11734	2.8
137.05959	13.0
138.47609	2.8
139.03900	23.1
145.04939	4.8
147.03232	4.6
147.04413	84.5
149.02373	18.6
149.05968	4.1
151.03886	5.7
153.05457	7.7
163.03946	4.5
163.11151	3.1
165.05479	17.8
167.03384	9.2
175.03914	72.1
179.07033	7.1
181.04947	69.3
189.05473	5.2
191.22372	2.5
193.04977	83.1
207.06512	27.9
207.13867	6.4
211.06032	21.9
225.07565	78.0
225.14894	5.3
243.08649	100.0
307.08502	2.7
337.80771	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	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12175	2.2
53.03950	2.8
55.05505	5.4
55.14227	2.3
55.19651	2.4
57.07064	4.1
57.32084	2.2
59.99113	2.6
60.41812	3.3
66.45950	2.0
67.05499	16.5
69.07063	9.8
71.08607	2.5
71.67435	2.6
79.05487	9.9
81.07054	21.6
83.04995	2.4
83.08620	6.5
91.05466	13.8
92.61320	2.4
93.07043	22.1
95.04995	2.5
95.08606	45.0
97.10209	2.9
105.05518	2.7
105.07020	27.3
107.08601	30.7
109.06555	2.8
109.10148	25.7
117.07020	4.4
119.08583	50.1
121.10148	27.1
123.11687	8.5
129.07034	2.8
131.08578	14.9
133.10138	32.7
134.99646	2.5
135.11703	13.2
137.13272	3.1
143.08549	5.2
145.09068	3.3
145.10127	33.3
147.11681	24.8
149.09566	2.8
149.13284	11.0
157.10124	10.1
158.10912	4.7
159.11685	33.0
161.13260	18.6
163.14827	7.0
169.10124	4.4
171.11699	9.5
173.13275	16.1
175.11249	3.7
175.14853	14.1
177.16400	12.8
183.11707	5.6
185.13239	9.1
187.14845	17.2
189.16331	12.7
191.18015	5.1
197.13329	2.9
199.14842	9.6
201.16371	17.6
203.18051	12.0
205.15941	4.5
211.14867	4.0
213.16426	7.2
213.93370	2.8
215.17964	10.7
217.19498	4.6
219.17517	2.5
223.14923	2.3
225.16386	2.9
227.18015	4.3
229.19595	8.5
243.21077	3.8
269.22632	3.6
279.16415	2.7
378.29208	5.9
391.33508	4.6
403.24808	2.9
403.33582	9.4
414.85687	2.8
421.34637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
61.02921	1.8
65.03931	4.7
67.05502	11.0
69.03441	2.2
70.29092	2.1
71.08687	2.8
79.05486	7.5
81.07054	3.3
85.02910	13.1
91.05486	47.6
95.04961	18.0
97.02918	2.2
99.00814	4.1
103.03951	3.7
105.03371	4.5
107.04962	4.4
119.04947	80.4
123.04428	16.8
127.03946	3.1
129.03375	3.4
131.03348	3.9
133.06497	3.3
145.04918	4.1
147.04414	100.0
149.05930	3.7
161.06006	10.6
165.05492	5.2
175.03911	65.6
177.05547	3.1
179.07028	11.2
189.05489	35.3
193.04984	27.1
204.32924	2.0
207.06538	84.4
225.07590	91.1
413.14468	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01865	4.2
55.05511	7.6
57.03435	8.8
57.07077	33.6
67.05508	15.3
69.03429	1.2
69.07064	10.3
71.05008	1.9
71.41725	1.8
75.31853	0.9
79.05506	10.1
81.03407	1.1
81.07059	21.8
83.04985	3.4
83.08611	5.0
85.06544	17.6
91.05468	8.1
93.07047	14.0
95.04974	4.1
95.08606	17.3
97.06544	3.7
97.10158	1.3
105.07050	7.9
107.08608	13.0
109.06512	15.0
109.10152	9.1
111.04448	2.7
111.08102	3.6
117.07053	2.3
119.08591	9.0
121.06531	3.5
121.10172	8.8
123.08070	8.9
123.11730	3.3
125.05992	3.5
129.07047	1.4
131.08591	3.9
133.10126	6.7
135.08046	10.7
135.11716	6.2
137.05981	22.9
137.09608	1.9
137.13248	1.5
139.07542	2.3
143.08624	1.2
145.10139	4.6
147.11684	4.6
149.09628	3.3
149.13278	4.1
151.07558	6.1
151.11198	3.2
153.12790	1.6
157.10147	1.6
159.11708	3.7
161.09648	3.8
161.13251	2.4
162.03136	1.2
163.11220	3.1
163.14819	1.3
165.09172	1.6
165.12727	6.3
171.11699	2.1
173.13275	2.0
175.11220	2.7
175.14857	1.4
177.12744	6.0
179.10764	1.5
179.14351	4.6
189.12764	1.4
191.14368	2.4
193.12283	3.5
195.13821	1.3
203.14371	1.3
205.16055	1.2
207.13805	8.0
228.05690	1.2
231.17729	1.1
233.19101	2.4
263.20151	3.9
277.18027	2.0
291.19781	1.1
301.25375	1.3
305.24875	2.1
319.26355	11.3
329.21222	3.4
329.24887	3.4
337.27448	3.8
347.25809	100.0
348.26151	1.3
365.26898	19.5
365.31396	1.4
369.19147	1.0
393.29984	14.0
403.28674	2.1
408.18842	1.3
421.29617	83.6
447.43179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01871	3.3
55.05514	12.8
57.03441	9.3
57.07076	22.1
58.47160	1.2
61.02930	6.1
67.05516	11.1
69.03435	100.0
69.07079	6.7
69.23941	11.7
71.04987	5.1
71.08639	17.6
73.02924	2.8
79.05493	5.3
81.03429	8.9
81.07057	12.8
83.04986	26.4
83.08631	7.0
85.02914	18.3
85.10188	8.6
85.37746	1.5
87.04454	7.2
89.06038	3.7
91.03942	2.4
91.05495	3.8
93.07045	4.7
95.04967	4.7
95.08620	17.8
95.51070	1.3
97.10181	4.3
99.04455	20.5
103.03935	4.7
105.07031	2.7
107.04940	1.5
107.08616	2.9
109.10143	7.6
111.04456	19.2
117.07027	1.3
117.68420	1.5
119.08614	3.0
121.06501	2.2
121.10159	2.1
123.11694	2.5
125.13239	1.6
129.05490	53.2
131.08569	2.7
133.08603	1.5
133.10127	2.1
143.08582	2.4
145.10144	1.4
147.06525	22.8
157.09984	1.4
159.11609	1.6
165.07619	15.2
171.11795	1.8
173.13226	1.4
189.11174	1.3
239.23734	7.6
302.56464	1.3
329.21140	9.9
347.21982	2.8
385.29529	29.7
403.24762	7.1
403.30087	2.7
415.20822	1.5
421.25946	6.8
421.34946	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	421.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01871	6.8
55.05517	19.3
56.96571	2.6
57.03445	10.6
57.07076	11.3
67.05510	37.6
69.03419	3.8
69.07074	34.4
69.19662	14.4
69.20081	3.8
71.04984	4.3
71.08631	2.9
75.02331	1.6
79.05504	25.1
81.03424	2.6
81.07063	54.4
81.93855	1.5
83.04988	5.5
83.08633	9.6
85.06534	7.3
91.05479	21.8
92.73800	1.6
93.07052	41.7
93.55828	1.8
94.85863	1.6
95.04967	7.5
95.08619	47.2
97.06550	12.9
97.10181	3.2
99.08098	2.6
105.07041	24.4
107.04942	4.0
107.08602	42.4
109.06522	20.5
109.10159	22.1
111.04449	19.3
111.08049	8.1
111.11662	2.2
115.05418	1.8
115.29720	1.7
117.07026	6.0
119.06155	2.0
119.07823	2.2
119.08602	26.9
121.06523	5.7
121.10168	29.9
123.04495	1.7
123.08083	16.5
123.11725	12.1
125.06007	6.0
125.09674	1.7
129.07019	5.8
130.85289	1.7
131.08585	18.3
133.10144	17.7
135.08066	26.3
135.11697	22.3
137.06000	21.0
137.09662	2.6
137.13321	3.3
139.07541	4.8
142.07831	2.1
143.08562	8.4
145.10126	26.5
147.08092	3.1
147.11684	13.5
149.09615	5.1
149.13289	5.4
151.07526	9.4
151.11214	2.3
153.12776	5.5
154.39110	1.6
155.08601	2.3
157.10158	10.5
159.11699	17.9
161.09673	4.8
161.13286	6.3
163.11197	4.7
163.14841	2.0
165.12814	6.1
167.14394	2.6
169.10135	2.8
169.96909	1.7
170.10873	1.7
171.11726	7.4
173.09660	3.2
173.11836	3.0
173.13257	21.7
175.11215	3.6
175.14862	15.5
177.12802	10.2
177.16345	2.3
179.10628	2.5
179.14291	6.2
181.12277	7.8
183.11797	3.5
185.13277	5.9
187.14825	24.2
187.16254	2.2
189.12842	1.9
189.16399	9.9
193.12288	3.6
195.13736	1.7
197.13324	3.1
199.14851	6.9
201.12721	3.7
201.16414	9.9
203.14265	3.6
203.17978	1.7
205.15935	2.7
213.16254	2.8
215.17926	1.8
219.13832	3.1
219.17480	2.1
221.19043	5.2
225.16393	2.8
229.15959	1.8
233.15375	6.4
235.20543	2.9
239.18010	3.1
245.15312	2.1
249.18614	3.2
253.19662	1.7
263.20135	4.7
269.22781	1.8
277.21762	2.1
281.22836	2.3
285.10071	2.2
287.23737	2.6
301.25372	2.6
305.24765	98.5
309.25906	2.0
311.19919	2.7
319.26303	27.1
329.21246	6.0
329.24792	6.1
337.27481	2.9
347.25839	100.0
365.27060	13.8
372.42966	1.8
393.30081	5.7
403.24545	4.2
403.28983	5.1
421.19891	7.4
421.30042	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1494
Annotation	Rhaponticin
Peak:m/z	Relative Intensity
55.01865	0.9
55.05507	1.6
56.96571	1.7
57.03445	0.7
65.03926	2.1
67.05495	2.8
67.19146	0.6
69.03436	3.8
69.07059	2.9
70.46123	2.3
71.05000	1.1
71.93091	0.6
79.05473	2.5
81.03396	1.7
81.07034	1.1
83.04971	4.6
85.02892	1.8
89.03962	0.7
91.05492	1.1
91.12553	0.6
93.07057	1.8
95.04977	1.2
95.08595	1.7
97.02878	2.1
97.06547	12.4
98.97570	1.1
103.05448	0.9
105.07022	1.5
107.04932	0.8
107.08568	1.6
109.02849	1.0
111.04440	2.0
115.05439	2.0
117.03367	1.1
117.07045	0.7
119.08557	1.0
123.04439	4.4
127.03932	1.7
129.07008	2.1
131.04916	0.9
131.08548	1.7
133.06535	1.0
133.10104	0.8
135.04405	2.5
137.06010	0.7
141.06996	2.2
143.04921	0.7
144.05695	0.8
145.02829	0.8
145.06461	1.2
145.10132	1.5
147.04424	2.5
149.05995	0.9
153.06999	3.6
154.07738	0.8
155.08556	18.6
159.04407	1.9
159.08072	1.4
160.05241	4.3
161.02386	2.8
161.05966	4.9
163.03912	8.9
165.06996	2.6
167.07143	0.9
168.05719	2.6
173.02315	4.3
173.05984	16.0
174.03116	6.3
175.03903	1.6
175.07536	1.3
177.05505	1.0
181.04927	6.0
183.08041	16.1
186.06796	4.1
187.03877	3.7
187.07509	5.8
189.05547	1.1
189.09068	0.9
191.03339	4.6
200.04727	1.0
201.09108	30.2
205.05081	1.1
211.07559	6.2
214.06219	1.4
215.07030	8.6
219.09962	0.8
227.07050	1.4
229.08604	100.0
230.09113	1.3
233.08064	1.0
238.03931	0.8
247.09592	4.5
249.07874	1.0
259.09680	14.8
267.09024	5.7
277.10745	2.3
285.10101	5.6
309.16733	1.4
316.05695	0.8
325.06625	1.8
341.12808	3.3
343.45206	0.7
359.13727	4.1
401.11526	1.5
403.13748	2.1
410.12378	1.1
421.14124	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	421.2586
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03945	4.5
55.01868	5.2
55.05514	23.3
57.03447	12.0
61.02912	4.1
65.03922	3.4
67.05508	75.7
69.03429	9.0
69.07072	10.2
71.04982	6.4
71.28170	2.5
73.02916	3.2
79.05079	2.7
79.05495	37.8
81.03416	27.2
81.06593	3.0
81.07056	36.0
83.04990	13.0
83.08613	15.3
85.02892	7.9
85.06545	3.9
86.56941	2.0
91.04917	2.6
91.05486	51.3
93.07047	38.1
95.04377	3.9
95.04969	62.4
95.08057	3.1
95.08609	33.1
97.02881	5.6
97.06521	7.7
97.10181	12.9
97.58343	1.9
105.03458	2.1
105.07038	28.8
107.04961	23.5
107.08580	15.9
109.06510	6.3
109.10158	38.2
110.10435	1.7
111.04441	2.3
111.08087	6.3
117.07020	16.3
119.04878	2.7
119.08584	26.8
121.06517	20.5
121.10137	12.7
123.08061	5.3
125.09619	8.5
128.06204	2.5
129.07011	13.5
131.04912	2.0
131.08569	20.5
133.06467	6.1
133.10135	21.6
135.08060	6.6
135.11702	5.4
137.09602	7.4
139.11201	3.2
141.06958	4.3
142.07820	3.9
143.08586	10.6
145.06476	4.1
145.10139	18.6
147.08054	6.1
147.11661	8.1
149.09564	5.1
153.07057	3.0
155.08540	5.6
155.10748	2.4
157.06450	2.9
157.10124	12.0
159.08066	4.1
159.11716	12.5
161.09621	6.9
161.13206	4.2
163.03932	3.0
163.11160	8.7
169.10114	5.2
171.11705	5.3
173.11749	10.5
173.13300	4.8
175.11208	11.6
175.14894	4.5
177.12775	6.2
181.10129	2.7
183.11604	5.1
185.09647	3.8
185.13242	4.4
187.14740	3.1
189.09109	6.7
189.11176	6.0
189.12741	2.9
193.12273	16.7
195.11736	2.5
197.13235	2.0
199.11110	3.2
199.14771	2.2
201.12703	3.2
203.10677	8.3
203.12712	4.4
205.12227	4.4
213.12694	3.0
213.16402	2.1
217.12270	3.3
219.13803	2.6
223.13271	5.5
225.07710	3.5
229.08595	2.3
231.13757	4.0
249.14819	6.8
251.11256	2.6
259.09717	3.8
259.15497	2.2
267.15842	3.7
269.12396	12.0
279.15811	2.4
287.89642	2.1
301.21594	4.3
311.20139	15.0
319.22644	2.8
329.21118	73.1
340.15332	8.8
347.22202	12.3
349.21600	2.1
367.22495	3.0
377.23380	2.3
385.23795	7.6
403.24829	63.2
412.17825	2.2
421.12503	8.5
421.21811	100.0
421.25980	73.7
421.34714	8.0
421.68484	2.9
422.21979	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88283	1.1
56.96556	3.4
56.99196	1.1
57.07073	3.9
61.07486	1.1
67.05511	2.9
69.07067	1.4
70.06595	13.4
71.08637	2.1
79.05489	1.8
81.03413	1.7
81.07050	2.8
85.10178	1.4
88.07098	1.5
88.07639	16.9
91.05474	5.2
92.26188	1.1
98.97594	3.8
102.09198	11.6
107.47808	1.0
109.10175	1.4
112.99027	1.3
119.04968	1.9
131.00188	1.1
147.04422	63.5
147.05429	2.3
191.07039	75.1
203.02249	2.3
256.26364	44.4
319.03372	4.5
337.04169	3.0
360.06372	1.5
400.19873	1.2
420.31125	100.0
421.31192	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	421.1257
Annotation	Melithiazol B
Peak:m/z	Relative Intensity
55.01868	0.9
55.05499	2.4
56.96560	1.5
57.03431	1.8
61.02912	0.7
67.05499	7.5
69.03419	1.1
69.07060	1.4
69.57960	3.1
71.04992	1.3
73.02935	0.7
79.05489	4.0
81.03407	2.0
81.07059	6.0
83.04981	1.4
83.08611	1.6
85.02910	1.3
91.05482	5.9
93.07044	3.5
95.04958	5.5
95.08591	3.8
97.02910	1.2
97.06538	1.4
97.10173	1.6
98.21525	0.8
98.97589	1.3
103.70559	0.5
105.07017	2.8
107.04985	2.6
107.08588	3.2
109.06499	1.1
109.10142	3.8
110.97440	0.6
111.08063	0.7
115.05457	1.3
116.98558	0.6
117.07019	2.0
119.08601	4.3
121.06504	2.2
121.10138	2.3
123.04443	0.6
123.08032	0.6
125.09628	1.0
128.06221	0.7
129.07031	1.7
131.04993	0.9
131.08578	2.5
133.10149	2.5
135.08087	1.5
135.11685	1.5
137.09610	0.7
137.45108	0.5
143.08562	1.3
145.06517	2.6
145.10141	2.4
146.07188	1.0
147.08028	1.6
147.11694	0.9
149.13303	0.8
155.08574	0.9
157.10170	2.2
159.11708	2.2
163.11174	1.0
171.11687	1.1
173.05960	1.2
173.09601	0.6
173.11760	0.9
175.11115	1.2
183.11716	0.9
184.52995	0.6
189.09224	0.6
189.11235	1.3
193.12221	1.7
197.13402	0.7
201.05254	1.6
203.10672	1.0
203.12686	0.7
205.08601	2.9
205.12329	0.6
211.13173	0.8
215.07085	0.6
229.04712	0.7
243.06372	1.7
249.14874	0.8
259.09738	1.4
269.13583	1.2
285.10104	1.2
287.06577	0.7
308.12466	0.7
311.20090	1.7
319.03543	0.7
320.03961	0.7
329.08102	0.8
329.21088	8.8
347.22372	1.1
357.07227	4.8
361.10461	4.0
385.24063	0.8
389.09915	8.3
393.12994	3.9
403.11484	5.5
403.24762	7.2
421.12589	100.0
421.21854	2.5
421.26074	9.2
422.13037	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50109	1.2
51.94378	1.0
55.01855	1.5
57.03437	22.8
58.05800	1.3
59.05003	3.5
69.03432	61.4
70.93793	2.5
71.01361	1.6
73.02920	6.1
79.05496	1.5
79.26581	1.3
81.03442	1.6
85.02908	48.7
87.04472	48.8
91.05486	99.2
97.02894	74.5
99.04452	2.6
103.03930	1.4
105.07043	4.3
107.04967	8.1
109.02846	1.9
115.03936	90.8
117.05392	1.2
127.03930	7.0
129.83401	1.3
133.04971	100.0
133.06561	3.3
134.05379	1.3
145.04955	10.7
150.07623	15.5
157.06444	1.5
159.08118	2.0
161.04460	4.5
163.06053	4.5
169.05017	2.2
171.08202	1.6
175.07632	3.7
178.32684	1.3
187.14807	1.1
193.05090	1.5
205.08617	3.3
217.08588	2.4
223.06076	1.7
223.09662	12.2
235.09637	4.6
241.07115	3.4
253.10751	5.4
259.08011	6.8
277.09222	2.0
288.14597	1.5
295.10260	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	419.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17713	3.4
53.03938	4.0
55.01877	5.3
55.10723	3.0
60.15005	2.7
66.81703	2.5
67.05504	3.5
69.03448	6.3
69.28099	23.9
70.06578	8.6
71.04966	3.6
72.08136	8.4
74.06081	3.8
79.05466	10.1
81.03410	5.6
81.07082	4.6
83.04994	3.1
85.02900	7.3
86.09693	13.4
87.51780	3.5
91.05483	15.7
95.04946	4.9
97.02888	9.3
98.97568	3.0
100.83573	3.1
103.05469	5.5
105.07008	11.8
106.62285	2.9
107.04967	23.6
109.02874	2.6
109.10091	3.2
115.05435	5.6
117.07024	5.1
119.04932	4.2
119.08569	4.3
120.08090	3.1
123.04391	8.9
124.05196	4.5
125.09622	3.3
126.05381	4.1
128.06120	3.2
129.06927	3.9
131.08549	7.2
133.06512	4.5
135.11699	4.0
137.05885	4.0
141.06953	4.4
144.05759	3.9
145.06480	10.3
147.04366	5.8
155.06995	3.0
156.05714	6.4
159.08058	14.4
161.06007	6.9
163.03874	4.2
165.05408	4.8
165.96353	3.4
167.00465	3.2
167.07057	69.5
173.05959	13.1
173.12915	5.5
177.05415	5.6
181.04939	9.2
183.06598	7.0
184.05174	3.1
187.07549	12.2
190.06296	3.4
193.08594	4.8
205.08598	19.1
208.05266	15.2
209.08041	6.0
217.08612	24.9
219.08130	5.9
219.10229	7.1
236.04741	6.6
247.07642	5.0
247.09659	19.2
248.08284	5.2
249.11235	19.9
254.05707	6.8
259.07431	3.6
261.05737	3.3
263.10699	4.9
269.08072	13.3
272.06668	4.2
287.09143	3.8
291.10101	4.3
315.08609	64.3
319.09735	4.7
323.12717	4.8
330.10956	100.0
331.11673	4.6
339.12210	4.1
343.11578	5.5
351.12338	16.1
356.76923	3.2
369.13086	6.0
383.14932	28.8
401.15793	13.1
419.22168	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	419.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29921	2.2
57.03432	2.4
69.03439	2.7
69.41510	18.0
71.26920	2.5
72.53626	2.2
79.05497	6.6
81.03411	5.3
85.02930	3.5
91.05498	4.3
92.71584	2.0
93.07025	3.2
95.04963	3.0
95.08617	2.6
97.06554	3.1
105.07041	3.5
107.04978	11.3
107.08603	2.8
115.05460	3.1
123.04448	3.0
124.05164	4.7
125.26330	2.6
131.08569	5.5
133.80725	2.1
144.05713	2.5
145.06529	6.3
148.92966	2.4
153.05568	2.3
156.05716	4.5
159.08112	4.7
167.07039	43.4
173.05959	6.7
181.04919	3.9
187.07484	5.0
190.06204	3.6
205.08626	9.9
207.06364	3.0
208.05270	12.6
217.08603	16.6
219.08134	3.7
219.10147	4.4
236.04803	4.8
237.94049	2.3
241.08644	2.6
247.07465	4.2
247.09692	8.4
248.08319	3.1
254.05685	6.6
263.10669	4.3
267.06583	3.6
269.08112	17.6
271.09802	2.3
277.08292	2.3
282.05316	3.6
282.08847	3.8
293.07895	3.9
300.09894	2.5
301.07227	2.7
304.07388	2.9
307.09616	5.2
315.08618	70.3
323.12814	4.9
330.10974	100.0
331.11737	5.4
339.12241	3.7
343.11621	6.6
351.12384	8.2
369.13275	7.3
383.14975	13.6
401.15878	9.8
419.18869	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0973
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
52.03663	0.3
57.03198	0.4
57.03439	5.3
58.55011	0.3
61.02929	1.9
66.92378	0.3
67.05453	0.4
68.99802	0.5
69.03446	0.5
70.26823	0.7
72.76591	0.3
73.02918	12.6
81.03405	0.3
83.13604	0.3
84.26807	0.3
85.02887	0.7
86.86922	0.3
105.03396	0.4
105.07051	0.7
107.04927	0.6
109.02888	0.4
111.00806	0.6
115.03903	1.1
115.95644	0.3
121.02875	2.5
133.02809	0.5
135.04434	0.3
137.02307	0.9
145.06529	0.4
147.04337	0.5
152.07263	0.3
153.01828	4.2
163.03914	0.5
165.01910	1.6
167.07048	0.8
173.02396	0.4
181.04781	0.3
183.02864	0.9
200.90395	0.4
203.06982	0.3
213.05544	1.5
215.06981	0.4
231.06548	0.9
241.04869	0.5
257.05649	0.3
258.05280	0.9
287.05499	100.0
288.05960	0.5
330.10922	0.5
350.66193	0.3
355.21249	0.4
405.77496	0.4
426.52103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
56.96561	1.3
57.03428	1.4
64.68696	0.7
69.03431	2.1
69.07056	0.8
69.25456	0.6
70.06592	0.9
71.04967	1.2
72.08150	1.4
73.02914	2.1
81.03429	0.9
83.04966	1.3
85.02907	3.5
86.09707	2.0
91.05483	1.5
94.69405	0.6
97.02258	0.6
97.02917	1.4
98.97591	5.0
110.97593	1.7
111.04395	0.6
116.98628	1.2
122.06083	0.8
129.97531	0.7
143.00134	0.8
147.04456	1.7
157.03383	0.7
158.99663	2.7
161.01286	0.8
167.07109	0.9
177.00691	1.4
177.05560	1.0
219.01808	2.2
229.06985	1.1
237.02910	1.1
268.08841	0.7
287.05515	2.1
287.08029	1.5
291.03922	0.7
305.09225	2.8
306.72208	0.7
317.05042	1.4
317.08505	26.1
321.77386	0.6
326.06564	3.5
326.56830	0.9
343.01495	1.0
361.02228	2.9
362.03333	0.6
379.03635	1.3
419.15338	100.0
420.15582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17404	2.6
55.01880	4.1
56.74377	2.4
58.13320	2.4
60.04525	4.8
61.61889	2.8
64.68195	2.8
67.05504	3.5
69.20927	13.4
69.21346	11.6
70.06585	4.4
72.08154	7.8
75.14973	2.6
78.04721	2.5
79.05481	10.0
81.03419	4.7
85.02912	4.0
86.09712	22.6
91.05476	6.0
93.07029	3.5
95.04989	3.0
97.02876	6.8
97.06551	3.0
98.97577	4.6
99.08108	2.9
105.07036	2.9
107.04945	8.7
117.07059	4.2
119.04966	2.6
119.08588	3.9
123.04444	4.3
129.07019	3.7
131.08586	4.0
133.10063	3.2
145.06436	4.8
147.04323	2.9
149.02354	3.0
156.05688	2.8
159.08087	9.2
167.07059	56.4
173.06061	10.6
173.12880	11.9
181.04913	5.7
187.07524	6.6
187.35963	3.0
195.06583	3.7
205.08658	12.9
208.05212	10.1
217.06822	2.9
217.08504	14.2
219.08060	3.0
219.13448	8.3
225.09064	4.3
227.06952	3.0
233.09587	3.3
235.09828	2.7
236.04738	8.2
239.07158	3.7
247.07460	2.9
247.09686	9.2
248.08218	2.7
254.05698	7.6
255.06378	2.9
263.10635	2.8
264.07916	3.8
269.08047	15.8
271.09763	3.2
282.08841	5.8
290.09421	3.7
291.10364	4.7
301.06815	3.4
307.68024	3.3
310.08142	3.9
315.08618	71.0
325.10168	2.7
330.10992	100.0
331.11890	7.0
337.11182	3.5
339.12201	4.0
343.11850	9.0
351.12228	9.6
369.13394	6.3
383.14883	18.3
401.15952	11.8
419.13962	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	417.1542
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.38239	0.4
51.00039	0.4
51.23724	0.4
53.03911	0.7
55.01839	0.9
65.03930	2.1
67.05515	2.1
69.03408	1.0
69.07028	0.9
70.05569	0.7
70.05961	1.1
78.04710	2.3
79.05498	3.7
81.03398	0.9
81.07032	0.9
82.04166	0.9
84.08116	0.9
85.02916	2.1
91.05496	2.6
92.72166	0.4
93.03391	0.7
93.07022	0.5
95.04946	1.6
95.08572	1.0
97.06507	1.7
103.04900	0.5
103.05468	6.3
105.03335	0.4
105.07002	1.3
106.04151	1.7
107.04972	4.5
107.08572	0.9
109.02860	0.5
110.03642	1.4
115.05465	3.9
117.07019	4.8
118.04128	1.2
119.04903	0.6
119.08559	0.7
121.06473	0.5
121.10146	0.6
122.03628	0.6
123.04421	5.8
124.05228	2.5
125.05975	1.2
127.05385	0.7
127.88676	0.5
130.04065	0.5
131.04944	4.7
133.02774	0.6
133.06462	1.2
134.03615	0.7
135.11681	0.6
137.02310	0.5
137.05949	1.0
138.03139	0.5
140.77092	0.4
142.02605	1.3
143.04843	0.5
144.05670	0.5
145.06497	8.5
147.08002	0.6
148.05180	2.4
151.03870	1.5
152.04683	1.9
153.05472	1.4
155.06026	3.1
157.06480	0.5
159.08051	0.5
161.05948	0.9
163.07555	5.6
165.24500	0.4
167.07039	100.0
168.07425	1.0
171.06488	1.6
173.05978	13.8
175.07568	0.7
176.04657	0.8
177.05463	0.6
181.04958	42.3
187.07463	0.5
189.05528	0.5
191.07036	15.9
195.06551	1.2
201.05533	0.6
205.08615	3.5
207.06563	0.6
217.08670	1.1
219.10280	0.9
221.08232	0.5
233.08105	6.7
235.07487	0.8
235.09595	3.7
255.15759	0.6
263.09232	1.5
299.05551	0.5
301.03571	0.6
313.03455	1.6
316.61011	0.4
326.04697	0.5
329.10281	0.5
345.04999	0.5
355.08368	1.6
355.12231	0.6
357.13434	0.6
367.11850	0.8
381.13412	0.7
385.12875	0.8
387.14374	15.0
387.19070	0.8
399.10196	2.5
399.14853	1.3
417.15643	37.8
418.15927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
60.51274	0.4
67.05507	0.5
69.07069	0.4
69.46934	1.3
69.47353	1.5
70.62434	0.4
71.04987	0.6
73.48529	0.5
79.05481	0.7
79.49915	0.4
81.07040	0.9
85.02872	0.7
86.09692	2.3
91.05477	0.6
95.08582	0.6
102.36977	0.4
105.07018	1.4
107.04933	0.5
107.08580	1.1
109.10163	0.5
111.08166	0.4
111.17558	0.4
113.37981	0.4
117.07040	0.7
119.08580	0.5
123.04422	0.7
133.10146	1.3
135.53230	0.4
145.10135	0.6
147.11635	0.5
167.07042	4.7
167.14297	0.5
173.05997	1.0
181.05003	1.6
219.17453	0.8
243.40746	0.5
417.17319	100.0
418.17648	1.0
435.01636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.1
57.03438	1.6
61.02934	0.6
61.42714	0.4
67.05495	1.0
69.03433	3.5
69.07063	0.7
71.04533	0.7
71.04942	1.0
73.02918	1.9
79.05492	1.1
79.35428	0.4
81.03415	1.3
81.07053	2.0
83.08607	1.1
85.02901	3.9
86.09707	6.2
87.04475	1.3
91.05491	1.2
93.07027	2.3
95.04976	1.1
95.08621	1.4
95.29601	0.5
97.02893	3.2
97.06538	0.6
98.64968	0.4
105.07043	3.2
106.77670	0.5
107.04936	0.5
107.08607	1.2
109.06523	0.6
115.03938	3.3
117.07010	0.8
119.08601	1.3
121.10157	1.0
123.08057	0.7
125.09583	0.5
127.03946	0.5
131.08546	0.7
133.04990	1.9
133.10152	2.4
143.01868	0.6
143.11781	0.8
145.04993	1.1
145.06448	0.9
145.10162	0.6
147.04420	0.5
147.11725	0.5
149.02313	0.5
149.13304	0.6
155.01877	0.7
157.03468	0.6
157.10063	0.5
161.06026	0.6
162.65439	0.5
163.06056	0.6
167.07069	6.3
173.02937	0.7
173.06081	1.0
181.04945	4.6
191.07092	0.8
205.08783	0.6
209.08351	0.5
219.17494	0.8
221.05061	0.8
233.08066	0.8
247.13148	0.6
267.15781	0.6
270.38016	0.5
285.12979	1.6
303.13089	1.2
309.16937	0.6
387.14261	0.9
399.14835	0.9
417.17303	100.0
439.14502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.7
55.05518	18.3
56.96561	5.2
57.03448	8.9
65.03928	6.0
67.05514	31.1
69.03437	9.1
69.07078	22.2
69.38129	26.3
69.38551	9.3
69.85160	3.4
71.04992	32.9
73.99139	3.6
74.06185	4.1
77.64330	4.5
79.05500	35.6
81.07062	71.8
81.47626	3.9
83.04989	7.7
83.08601	8.1
85.02919	8.1
85.06540	13.3
91.05482	48.1
93.07057	67.5
95.04968	6.5
95.08613	64.2
97.02901	4.6
97.06519	10.4
99.04471	10.4
99.08129	4.3
100.58827	3.9
101.80806	3.8
105.07039	100.0
107.08608	74.9
109.06539	8.7
109.10169	55.8
111.04440	4.8
111.08075	8.0
117.05524	17.0
117.07012	27.3
119.08592	79.5
121.06547	9.1
121.10149	59.7
123.08080	7.6
123.11710	11.7
125.09671	3.8
129.03404	11.3
129.07007	13.0
130.07790	4.7
131.08563	60.4
133.06519	7.1
133.10141	70.3
135.11716	35.4
137.09650	7.8
142.07768	4.4
143.08594	21.5
144.09351	10.7
145.10124	87.6
147.08086	9.5
147.11697	63.6
147.56355	4.5
149.09618	14.4
149.13269	28.3
151.07491	4.8
151.11145	4.5
155.08604	11.0
157.10136	42.3
159.11702	76.7
161.09610	17.0
161.13274	33.1
163.11198	16.1
163.14822	11.6
165.12764	11.4
167.07053	18.9
167.10692	16.0
169.10162	15.1
171.11723	23.2
173.09653	7.5
173.13260	40.5
175.11220	16.6
175.14897	15.4
177.09140	6.2
177.12807	21.6
179.10762	6.4
179.14331	6.3
181.10023	4.6
181.12216	5.4
183.11693	6.9
185.13293	17.9
187.11218	5.9
187.14835	16.5
189.05478	69.6
189.12732	9.8
191.10736	6.4
191.14368	12.5
193.12291	8.2
195.10132	5.8
195.11769	7.0
195.13696	5.7
197.13283	9.3
199.11102	4.2
199.14874	10.6
201.12756	9.4
201.16461	6.4
203.10684	4.6
205.12245	6.5
211.11075	4.0
211.14827	4.0
213.16460	5.4
215.14287	7.1
215.17914	3.9
217.12195	6.9
219.13782	13.3
221.11765	8.6
221.15408	5.2
223.14902	3.9
225.16429	7.6
227.14418	5.2
231.13893	5.2
233.15448	4.6
237.16714	4.8
239.17902	4.3
245.15234	3.8
249.16440	4.4
251.18004	5.9
269.19135	6.7
283.26633	6.0
285.10114	4.6
285.18524	4.0
287.20142	4.8
297.18460	9.1
315.19470	12.2
317.22751	6.1
333.20541	9.6
335.23892	7.4
353.24680	31.8
363.23215	23.5
371.25735	11.7
381.24197	30.4
381.28195	13.2
387.25317	6.8
399.25247	56.4
399.29401	13.5
417.25919	40.9
417.31238	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	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.94555	0.5
53.03946	1.3
55.01866	1.4
55.05512	0.6
56.96549	0.8
57.03433	0.5
59.28096	0.5
65.03947	3.5
67.05497	1.4
69.03417	1.9
69.07035	0.7
71.55898	0.6
75.77758	0.5
78.04705	2.9
79.05495	4.6
80.51138	0.5
81.03407	1.7
81.07048	1.5
82.04198	1.4
85.02909	3.3
86.09705	0.8
91.05476	2.6
93.03413	1.4
95.04951	1.6
95.08566	0.6
97.02883	1.8
97.06500	1.2
98.97581	1.4
99.23741	0.6
103.05463	8.6
105.03369	1.4
105.07021	3.0
106.04175	1.3
107.04951	5.1
109.02919	0.7
109.06504	0.6
110.03657	1.1
111.04441	0.9
115.05466	3.4
117.07021	5.5
118.04140	1.9
119.04939	1.3
119.08575	0.9
121.06487	0.8
122.03638	0.6
123.04431	7.7
124.05213	2.3
125.06003	1.6
131.04927	6.0
132.05630	0.8
133.06473	1.4
135.08051	1.1
137.05960	1.2
138.03082	1.0
142.02617	1.5
143.04929	1.0
145.06470	6.4
147.04373	0.6
147.08057	0.9
148.05179	4.6
151.03935	1.3
151.07625	0.6
152.04663	3.0
153.05449	1.3
155.06013	3.8
161.05966	1.1
163.03871	0.7
163.07558	7.1
165.05524	0.8
167.07042	100.0
167.74835	0.6
171.06520	2.2
173.06003	15.0
175.07605	0.8
176.04749	0.7
177.05461	0.7
181.04956	55.3
187.07555	1.3
189.05429	1.6
191.07025	21.3
193.08752	0.8
195.06552	1.9
201.05492	1.3
205.08653	2.4
207.06651	0.8
209.08031	1.1
217.08594	1.2
219.08244	1.0
219.10196	1.2
225.07515	0.6
228.04169	0.6
233.08075	8.0
235.09702	4.4
263.09250	1.0
264.07944	0.6
267.09732	0.7
307.09583	0.8
325.10641	0.9
329.10629	0.9
367.11810	1.2
381.13391	0.8
385.12756	1.2
387.14395	14.1
399.14328	1.5
417.15472	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	415.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.7
55.05503	7.8
56.47879	2.5
56.96565	6.6
61.02925	4.0
67.05490	22.3
67.54362	2.5
69.03426	6.4
69.07063	15.5
69.36516	17.5
69.36929	4.6
71.04974	17.4
79.05493	27.9
81.03403	2.6
81.06592	3.1
81.07053	45.5
83.04962	4.7
85.06542	19.8
86.02527	2.6
91.05466	36.5
93.07041	58.0
95.04935	3.8
95.08602	33.1
96.98097	2.7
97.02881	3.8
97.06516	11.4
98.10227	2.7
99.04488	2.9
102.76403	2.9
103.05437	3.7
105.07027	67.6
107.04937	2.8
107.08598	53.8
109.06512	30.2
109.10139	22.0
111.08065	4.0
115.05459	2.9
115.41056	2.8
117.03322	2.9
117.07034	24.6
119.08575	43.6
121.10154	31.0
123.08041	8.6
123.11729	3.7
129.06985	10.6
131.08557	49.5
132.60336	2.7
133.10115	53.5
135.08015	5.3
135.11703	35.3
142.07736	3.3
143.08562	15.0
144.09323	9.2
145.10121	76.3
147.08040	4.3
147.11700	60.0
149.09596	5.8
149.13246	29.0
151.11147	4.2
155.08633	3.8
157.10143	29.1
159.11688	100.0
161.09650	4.9
161.13264	21.1
163.11165	17.3
163.14838	5.3
165.09081	6.5
165.12755	15.2
169.10097	8.0
171.11661	18.8
173.13243	37.4
175.11160	10.3
175.14821	4.4
177.12747	61.9
179.14162	3.9
181.12196	4.9
183.11691	8.6
185.13240	12.2
187.11107	3.2
187.14777	8.7
189.12770	15.9
191.14293	30.8
193.12213	5.0
195.11736	6.6
197.13205	8.4
199.14774	6.6
201.12743	7.0
203.14272	11.3
207.13751	4.9
209.13171	4.2
211.14824	3.7
213.16324	5.5
215.14378	6.8
219.13811	15.4
221.15260	5.4
221.45219	3.0
229.07454	3.5
231.13724	6.3
233.15350	11.6
237.14793	8.2
245.15385	3.8
249.14752	4.7
263.16397	6.7
267.09042	5.8
295.20523	3.3
313.21555	10.2
319.24228	4.4
331.22678	11.0
337.25208	10.4
350.91623	3.1
351.26761	5.0
355.26337	9.0
361.25089	7.3
379.26431	29.5
385.27353	4.4
387.80722	3.4
397.27383	62.8
415.21881	11.3
415.28290	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	415.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98768	2.4
51.84706	3.1
54.83987	2.5
55.05513	14.1
57.03441	54.9
61.02939	12.7
66.14914	2.5
67.05509	25.1
68.35864	2.3
69.03438	5.6
69.07073	13.3
70.79651	7.3
71.04993	16.2
79.05499	22.5
81.07058	42.3
83.04969	4.1
83.08627	4.0
85.06555	16.9
91.05486	24.8
93.07046	43.2
95.04980	2.9
95.08603	43.6
97.06520	7.1
97.10198	5.6
99.04438	4.7
105.07033	57.3
107.08592	41.9
109.06522	19.5
109.10172	26.9
111.08085	5.1
113.58257	3.2
117.05499	100.0
117.06956	13.8
119.08587	67.6
121.06548	5.5
121.10147	26.1
123.08068	8.1
123.11732	5.2
129.07007	9.5
130.07880	3.0
131.08575	32.2
133.10130	41.5
135.08040	4.2
135.11694	28.9
142.07848	6.2
142.39366	2.7
143.08592	14.8
144.09352	7.1
145.10121	52.3
147.08145	3.1
147.11693	38.9
147.68343	2.4
149.13275	22.8
151.11156	3.5
155.08589	4.6
156.09355	3.5
157.10124	23.3
159.11693	72.9
161.09641	3.1
161.13261	20.4
163.11136	12.7
165.12752	6.4
167.08572	4.0
167.10545	3.2
169.10168	8.1
171.11665	14.8
173.13283	28.4
175.11205	7.4
175.14871	6.4
177.12740	34.1
179.10692	3.0
181.10068	3.4
183.11673	8.5
185.13252	11.7
187.14908	5.0
189.12727	9.3
191.14357	16.8
197.13286	7.2
199.11092	2.6
199.14818	6.3
201.12726	5.8
203.14296	5.8
209.13306	5.7
211.14900	6.5
213.12668	4.0
213.16502	5.0
215.14253	6.9
219.13858	8.2
223.14935	3.3
225.16438	4.5
227.17900	2.8
231.13976	3.6
233.15352	7.9
237.14810	4.2
253.19539	4.0
263.16470	3.1
281.24786	44.7
295.20447	5.5
310.84430	3.0
313.21530	7.9
331.22745	7.8
337.25381	4.2
351.26819	3.1
355.26312	5.4
361.24948	4.5
367.26462	3.9
379.26285	24.4
385.27475	3.4
397.27316	35.0
415.28296	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	417.1546
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03932	1.5
55.01862	0.7
55.05493	1.1
57.03417	1.3
61.02900	2.5
65.03908	2.3
67.05504	3.0
69.03412	2.3
69.07050	1.0
70.27168	0.8
70.27528	1.5
73.02915	1.2
77.03915	0.7
78.04683	2.2
79.05490	5.2
81.03394	2.5
81.07040	2.2
82.04173	1.1
83.04951	0.9
85.02921	3.8
85.06501	0.5
91.03933	1.5
91.05489	3.2
92.94752	0.5
93.03370	1.0
93.07038	3.1
95.04986	1.5
97.02901	3.1
97.06522	2.3
97.10162	0.6
99.04455	0.9
102.47112	0.5
103.05470	8.0
105.03387	0.7
105.07015	1.9
106.04149	2.2
107.04974	4.4
107.08589	1.9
108.02069	0.6
109.02851	1.5
109.10172	1.0
110.03658	0.9
111.04374	0.7
115.05453	3.7
117.07040	4.9
118.04155	1.8
118.21494	0.6
119.04954	0.9
119.08564	0.8
121.10148	0.7
122.32318	0.5
123.03684	0.8
123.04436	6.4
124.05212	2.8
125.05935	1.5
127.03885	0.7
130.04150	1.0
130.17152	0.6
131.04939	6.7
133.02875	0.8
133.06471	1.9
134.03580	0.7
135.04539	0.7
135.08064	0.9
135.11705	4.0
137.05975	1.3
142.02557	1.6
143.04875	0.6
144.05705	0.8
145.06499	8.6
145.10172	0.6
147.08073	0.8
148.05240	4.2
151.03912	1.4
152.04666	1.4
153.05405	1.4
155.06017	3.4
157.06491	0.8
161.06026	1.3
163.07544	7.4
163.11194	0.8
167.07042	100.0
168.07594	0.6
171.06479	0.9
173.05997	14.6
175.07503	0.7
178.62318	0.6
181.04961	47.3
181.12242	2.5
182.05165	0.7
189.05478	0.8
191.07033	24.7
193.08583	0.9
201.05444	0.8
205.08624	3.4
209.08089	0.6
217.08629	0.9
219.10133	1.2
233.08069	9.0
235.09700	3.3
255.15927	4.9
263.09244	1.9
313.03671	0.7
340.43527	0.6
355.08032	0.7
377.34991	0.6
381.13559	1.1
385.12759	0.8
387.14371	15.9
399.10583	0.9
399.15198	0.8
417.15567	40.1
417.20767	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17985	6.2
55.05512	11.9
56.96556	23.2
56.97275	6.0
57.03431	7.0
61.02922	11.2
66.33537	5.9
67.05519	34.7
69.07054	20.4
69.20444	52.7
69.20850	14.1
71.05000	7.8
71.08637	11.4
79.05487	16.5
79.87414	6.1
81.03400	10.2
81.07056	27.8
83.05000	10.0
85.02885	9.3
91.05479	16.9
93.07038	21.2
95.08598	16.9
98.97549	7.9
99.08096	9.2
105.07053	16.7
107.08572	23.4
109.10152	26.1
119.08587	56.8
121.10138	10.3
135.11693	20.0
145.10085	10.5
147.11743	9.0
159.11685	14.4
163.11137	8.6
173.11746	9.2
179.14323	36.9
187.02658	8.4
229.07457	17.6
229.14293	11.5
230.07777	8.4
243.08902	14.7
247.08488	10.1
252.08945	8.5
267.09067	30.1
277.21622	20.2
285.10080	47.9
351.25336	100.0
408.88770	6.8
414.30722	15.0
432.16620	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	415.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85281	0.7
63.18653	0.7
64.58730	0.8
68.46436	0.7
69.51625	5.3
85.02933	0.8
87.10943	0.8
119.01894	0.7
185.04161	2.0
203.05212	0.8
206.20151	0.8
209.07823	2.5
217.04558	0.9
223.06746	0.8
232.92290	1.5
235.05765	5.3
246.98564	0.8
253.06819	11.2
397.11050	1.2
415.12222	100.0
416.12384	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1936
Annotation	SU 11652
Peak:m/z	Relative Intensity
61.40576	0.7
69.07069	0.7
70.65441	1.4
79.51044	0.6
81.07050	0.8
85.02867	1.0
86.09696	3.0
97.06529	1.2
105.07017	0.9
109.10168	1.1
133.10156	0.7
154.61507	0.6
167.06999	1.1
181.04997	1.5
209.11496	0.7
217.15865	0.9
227.51236	0.6
235.16934	2.5
246.66202	0.7
253.18047	1.5
379.67432	0.7
415.19382	100.0
438.69101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.9
56.96564	1.6
57.03439	48.1
57.07063	3.7
60.04528	1.5
61.02930	19.0
68.39292	1.4
69.03436	45.7
70.06588	6.7
70.95483	3.6
71.01347	4.3
71.05006	1.6
72.08158	2.9
73.02920	100.0
75.57857	1.6
81.03426	7.2
81.07045	1.6
84.04497	3.1
85.02911	87.3
85.06525	2.1
86.03236	1.3
86.09722	3.0
87.04465	6.1
91.03971	2.5
91.05495	2.9
97.02896	71.3
98.97584	5.5
99.04445	3.3
101.09663	3.0
103.07599	3.2
109.02863	4.8
111.04487	1.5
112.08738	1.7
115.03941	65.7
116.98583	1.9
117.07056	1.7
119.04989	1.8
119.08548	1.7
126.05520	2.4
127.03922	27.0
133.04982	21.8
143.85648	1.8
144.06572	8.3
145.03026	1.7
145.04976	37.3
147.04404	6.1
150.07623	5.3
156.06564	1.8
158.99669	2.1
162.07625	5.4
163.03915	4.5
163.06044	14.8
176.03455	1.8
180.08690	9.7
180.99553	2.9
181.09630	1.6
181.13431	2.7
182.13681	3.0
217.10690	1.9
223.06041	5.3
241.07097	7.3
247.11772	5.2
259.08130	6.2
262.54492	1.5
265.12875	4.1
294.11850	4.5
295.10040	3.3
312.12747	2.0
332.19217	1.7
355.28912	1.6
358.08279	2.7
414.13977	2.1
414.17575	4.3
414.21960	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	413.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.05504	15.0
56.96566	7.2
67.05506	37.4
69.03442	6.8
69.07066	26.3
70.72205	8.3
71.04991	28.6
72.92508	4.3
76.42149	4.8
79.05489	28.3
81.03393	4.8
81.07059	65.8
83.04991	30.2
83.08607	5.3
85.02863	4.7
85.06540	13.9
91.05489	38.1
93.07045	71.9
95.04952	8.4
95.08619	55.3
96.06078	4.4
97.06519	9.1
97.10141	5.5
98.20778	5.4
105.07034	82.3
107.08595	74.3
109.06519	6.2
109.10150	42.2
111.08081	8.8
117.07030	19.0
119.08584	78.5
121.06467	5.0
121.10133	67.0
123.08077	9.2
123.11684	11.7
125.09631	5.6
128.06209	4.1
129.07025	11.2
131.08571	39.9
133.06444	5.4
133.10126	59.1
135.08061	8.9
135.11678	41.0
141.06981	4.3
142.07820	7.6
143.08519	20.2
145.10141	58.5
147.08076	14.1
147.11693	52.2
149.09613	8.4
149.13268	35.8
154.08394	4.7
155.08527	8.5
156.09364	5.0
157.10104	34.1
159.08139	6.1
159.11690	55.9
161.09644	13.4
161.13255	49.0
163.11156	17.8
163.14795	10.4
165.12724	4.9
167.08592	4.8
167.10677	7.0
169.10156	9.5
171.11679	18.3
173.09521	6.8
173.13277	27.5
175.11165	11.1
175.14801	29.0
177.12758	10.9
179.10640	7.9
181.10251	3.8
181.12257	17.5
183.11681	6.8
185.13293	24.0
187.02925	5.1
187.11201	4.5
187.14847	16.3
189.12759	12.4
189.16409	13.9
191.10559	5.2
191.14330	4.7
193.12285	5.3
195.13791	9.2
197.13228	7.5
199.14867	13.8
201.12694	4.2
201.16350	8.3
203.14349	10.5
205.12256	7.7
205.15822	4.5
207.11829	5.1
207.13895	7.2
209.15419	11.3
211.14827	8.0
213.16473	8.8
217.15981	5.7
219.13835	8.2
219.17250	6.2
221.15320	8.0
233.15359	8.5
235.16884	8.9
245.15399	7.1
247.17014	6.5
249.18661	4.7
287.19955	5.3
315.23154	13.7
329.24655	11.8
339.23071	4.9
377.28177	10.1
395.25327	6.0
395.29523	64.6
413.22141	8.2
413.30704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2149
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
54.16870	0.3
67.05480	0.4
69.03414	0.6
69.07060	0.6
69.13712	0.3
70.06596	1.7
70.30958	0.4
71.04995	0.7
71.53665	0.5
72.08141	0.4
81.03401	0.4
85.02920	1.2
91.05486	0.7
93.07001	0.5
93.34388	0.3
93.71616	0.3
95.04935	0.5
98.97556	0.4
100.69956	0.3
112.08716	0.4
114.12772	0.6
119.10709	0.9
121.10173	0.4
133.10097	0.3
147.04449	1.1
161.09666	0.3
189.05316	0.4
199.92863	0.3
213.53275	0.4
214.06265	1.0
219.08002	0.4
231.08278	0.4
353.10275	1.3
390.70804	0.9
391.21112	0.8
395.11420	0.4
395.18195	0.7
412.71570	0.5
413.21466	100.0
414.22018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2148
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
53.03934	0.4
54.16927	0.4
63.00225	0.3
64.98572	0.4
66.85867	0.4
69.16271	0.3
70.67678	1.0
85.02879	0.4
86.09737	0.3
93.07085	0.5
94.63924	0.3
97.02911	0.3
99.08102	2.0
105.06972	0.4
107.08613	0.6
109.02882	1.3
109.10175	0.7
119.08555	0.3
133.10155	0.6
136.07571	1.2
147.04352	0.3
152.07089	0.4
164.07115	1.4
175.69640	0.3
193.15866	0.4
203.05269	24.2
203.56479	0.4
214.06244	2.5
220.48308	0.3
233.15224	1.7
238.03880	0.4
251.16599	0.6
317.96701	0.4
353.10327	1.3
369.76389	0.4
413.21497	100.0
414.22000	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.01871	4.2
55.05511	15.8
57.07078	3.5
65.03948	3.1
67.05495	38.6
69.03445	2.5
69.07072	25.8
70.59811	2.9
70.60155	7.7
71.04992	27.9
74.36430	2.8
74.71214	2.9
79.05490	32.7
81.03408	3.3
81.06589	4.9
81.07057	69.0
81.07808	2.9
83.04969	4.4
83.08617	15.2
85.06534	15.2
91.05480	48.2
93.06494	4.2
93.07049	70.7
95.04951	2.9
95.08611	70.2
95.51527	2.5
97.06548	5.7
97.10216	3.9
101.05999	2.9
105.07030	80.9
107.08592	76.0
109.10162	76.0
111.08082	6.7
115.05450	3.0
117.07002	21.2
119.08583	82.1
121.10146	64.6
123.08075	2.7
123.11707	11.4
125.09642	3.1
129.07013	13.4
130.07800	4.0
131.00180	2.5
131.08557	36.6
133.06511	3.0
133.10130	59.9
135.08055	12.4
135.11681	32.3
137.09677	3.7
141.07050	2.8
142.07787	7.7
143.08566	25.3
145.10121	60.2
147.08093	8.6
147.11694	46.9
149.09630	7.2
149.13272	25.0
151.07541	10.0
153.09067	7.1
155.08582	6.8
156.09383	3.9
157.10121	35.3
158.10867	3.0
159.08147	3.1
159.11685	52.3
161.09628	11.5
161.13264	26.5
163.11165	16.5
163.14806	7.2
165.09143	4.0
165.12764	8.2
167.10631	6.3
169.10149	11.4
171.11717	22.4
173.09674	3.8
173.13231	32.5
175.11194	8.6
175.14804	18.4
177.09126	2.7
177.12741	14.2
179.10666	5.6
179.14331	4.4
181.10054	5.7
181.12222	16.3
183.11678	8.2
185.09622	3.3
185.13255	21.0
187.14845	18.0
189.05641	2.6
189.12756	8.9
189.16382	7.2
191.10701	4.2
191.14288	8.7
193.12314	5.0
195.11740	4.0
195.13818	7.8
197.13261	7.0
199.14835	14.1
201.12759	5.4
201.16415	10.9
203.14400	8.8
205.12263	3.5
205.15897	7.3
207.13866	9.0
209.13440	3.7
209.15465	9.7
211.14819	8.8
213.16399	9.9
215.14331	3.4
215.17978	4.9
217.12364	3.5
217.15904	7.5
219.13808	8.3
219.17502	4.0
221.15381	12.2
223.16919	5.5
225.16435	5.9
227.18065	5.1
229.15741	3.3
230.09688	3.0
231.17421	6.0
233.15355	11.7
235.16969	6.9
237.16483	3.5
239.18053	5.7
241.16119	2.7
247.16853	7.0
249.18626	8.0
259.16971	3.6
261.18674	3.7
265.19476	3.1
267.21222	3.0
269.19003	3.4
271.20398	3.1
273.18466	7.1
313.21594	3.4
329.24817	36.7
339.23172	3.0
353.24652	4.1
377.28207	12.9
383.29529	3.8
395.29468	68.5
413.30508	100.0
414.31549	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	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
54.51096	0.3
54.89496	0.3
55.01878	0.5
55.05507	0.6
56.05035	0.6
56.96561	0.3
57.03434	0.6
59.82553	0.3
69.03429	0.5
69.88016	1.3
70.06597	1.2
72.08155	0.5
73.02937	0.4
74.06078	2.3
83.08627	0.6
85.02908	1.2
86.09708	0.7
89.03927	0.5
93.07057	0.3
94.04053	0.3
97.02894	0.7
98.20840	0.4
98.97577	0.6
101.09647	0.7
102.05550	0.7
106.81090	0.3
109.05195	0.3
110.05991	0.3
111.04501	0.3
115.03922	0.4
116.07067	0.3
116.09255	0.3
117.03394	0.7
119.03553	2.7
119.10724	0.4
120.06589	8.8
123.08073	0.8
127.03914	0.4
131.08517	0.4
133.05046	0.3
134.24535	0.3
135.04451	0.7
136.06194	100.0
137.04622	1.1
142.08646	0.4
143.00291	0.3
145.02831	0.7
147.04437	0.6
149.09595	0.5
157.38420	0.3
157.80124	0.2
162.04123	60.4
163.03917	4.5
164.04243	0.5
164.89090	0.2
177.00621	0.3
177.05495	0.7
189.05458	0.5
215.14330	0.8
218.68759	0.3
219.01686	0.3
233.15323	1.8
251.16492	0.6
268.10483	0.9
281.09943	59.9
282.10339	0.4
294.08289	0.5
322.93857	0.3
406.76337	0.3
413.13651	1.3
413.22025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2148
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
56.48862	0.3
56.94775	0.3
69.03434	0.7
70.06574	1.0
70.09905	1.2
71.04990	0.3
85.88943	0.3
87.04465	0.4
91.05494	0.5
97.02874	0.4
98.97604	0.3
99.08025	0.4
112.08733	0.4
120.08125	0.3
127.70396	0.3
144.71455	0.3
147.04454	0.6
166.65417	0.3
174.93509	0.3
195.45306	0.3
203.05324	0.8
239.64072	0.3
324.34085	0.3
353.10269	0.3
357.15375	0.4
413.21494	100.0
414.21683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1232
Annotation	Rubiginone H
Peak:m/z	Relative Intensity
53.03942	2.6
55.01862	2.2
56.96542	2.4
58.51934	1.5
65.03957	1.7
65.83459	1.6
67.05497	4.3
69.03425	3.9
69.07082	1.8
71.55788	2.6
79.05500	9.8
81.03404	6.2
81.07053	1.4
81.76100	1.3
83.01349	2.0
83.04983	1.5
83.11988	1.3
85.02899	3.1
86.69352	1.8
91.05460	5.4
93.03411	1.8
93.07039	2.7
95.04971	11.8
95.08598	1.6
97.02898	2.2
97.06522	5.8
98.97562	3.9
103.05464	4.9
105.07008	4.2
106.88143	1.3
107.04936	7.8
107.08576	2.4
109.02868	2.1
109.10149	1.7
115.05445	3.1
119.04969	1.4
119.08562	1.6
121.02876	5.1
123.04430	3.8
124.49564	1.4
129.03406	6.8
131.04918	7.2
131.08568	2.2
133.06467	1.8
136.06145	1.5
143.04832	1.7
143.08543	1.8
145.02782	2.8
154.04097	1.6
155.04913	4.4
157.02818	2.4
159.04430	4.9
161.06020	6.9
163.03922	2.7
165.06943	3.0
171.04483	1.5
174.03104	1.9
175.03885	1.7
177.05489	2.8
177.06979	1.7
178.07802	1.8
179.08516	1.9
181.06635	1.5
183.04372	3.6
185.21553	1.6
186.03058	2.3
187.07500	1.4
189.05481	39.2
189.07028	4.9
190.07758	2.4
191.08542	7.2
193.04924	2.1
193.06519	5.1
199.03925	10.5
201.05452	1.9
202.06133	2.2
202.07822	4.4
203.03375	24.8
203.06857	1.5
203.08551	3.5
203.76297	1.6
205.04944	4.6
205.06641	3.4
207.08090	2.9
213.05463	11.9
214.06242	100.0
215.06963	6.0
215.14320	1.7
217.04900	22.4
218.07205	2.0
219.08200	9.5
221.06036	4.2
226.06056	1.8
228.04268	1.6
229.04936	5.3
229.06737	3.2
231.02896	4.1
231.08118	3.8
233.04338	4.4
233.15318	1.8
234.06960	1.8
235.07396	2.3
239.06973	2.4
241.04919	6.1
242.05637	2.3
245.06096	3.5
247.05968	8.9
247.07762	7.0
249.05527	2.8
251.16402	5.6
255.06453	1.8
256.03680	1.8
257.04285	13.0
259.09744	2.2
262.06503	1.5
263.07053	3.4
265.08514	2.8
267.06622	2.4
269.04532	4.1
271.06006	4.2
272.07004	2.0
273.07773	2.3
275.07053	9.6
276.07883	3.4
277.08524	7.6
279.06683	2.6
279.10159	5.1
281.08069	5.9
289.06662	8.9
290.09326	1.7
291.09891	3.0
292.07303	2.3
293.08133	3.3
295.09518	1.5
303.06516	6.4
305.07947	3.3
307.06296	3.2
307.09695	7.7
310.16476	2.0
317.08109	6.5
319.09439	3.0
321.07672	2.0
325.10577	8.8
331.05936	3.8
333.07486	1.8
335.09125	13.7
337.10898	2.9
345.07544	5.6
349.10956	1.9
353.10168	87.8
363.08594	23.4
367.11847	3.2
381.09732	27.1
385.13031	3.0
395.11151	7.8
412.70508	1.6
413.12289	65.6
413.16797	3.3
413.21243	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	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72100	1.9
55.01899	1.9
55.05502	2.0
57.03197	2.4
57.03442	27.5
57.33609	1.9
59.05001	4.7
60.04524	2.9
61.02922	4.7
62.95044	2.0
69.03430	73.7
70.37156	1.8
70.90446	4.1
71.04978	5.3
73.02912	8.0
75.64889	2.1
81.03421	6.1
83.08616	4.2
85.02911	90.3
87.04478	53.6
91.03975	3.3
97.02894	69.7
97.03534	3.8
97.06526	2.3
99.04447	4.0
109.02896	3.9
111.08094	4.4
115.03935	94.2
123.08075	2.5
127.03918	19.7
133.04974	100.0
139.07539	2.9
145.04973	32.4
150.07616	14.6
156.72060	2.0
163.06007	11.2
167.10701	3.8
169.04999	2.1
197.11742	3.3
204.50360	2.1
223.05867	2.4
227.12869	2.5
241.07048	4.8
245.14000	2.7
259.08182	3.0
263.14883	5.0
277.09082	2.5
295.10306	4.0
317.65002	2.1
320.19385	2.0
365.38046	2.1
375.46243	2.4
412.20322	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	413.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44843	1.3
55.01862	1.3
65.03936	2.8
69.21318	10.9
69.21729	4.0
79.05491	5.4
81.03423	2.0
83.04954	1.8
89.03898	2.1
91.05482	16.3
93.07053	2.3
95.04932	1.6
96.08796	1.3
98.21574	2.9
103.05471	7.8
105.03394	1.5
107.04941	2.4
111.04436	1.9
115.05458	2.3
117.03345	1.9
119.04949	7.8
119.05693	1.3
121.06487	4.5
128.48351	1.3
129.03362	12.9
131.04900	8.9
133.02855	1.9
133.06551	1.7
135.04413	3.7
139.03891	9.5
141.06960	1.8
145.02846	13.3
147.04410	8.8
149.05960	3.9
152.06252	1.5
153.06909	2.9
159.04408	11.9
161.05945	4.8
163.03810	1.8
165.05531	2.6
165.06967	7.2
166.07732	4.9
167.07300	1.4
167.08528	7.4
173.02310	2.5
175.03902	7.2
176.04720	1.8
177.05495	16.4
177.06944	2.4
178.07753	6.2
179.08525	5.8
181.06441	2.5
181.10126	2.4
184.36320	1.5
187.03922	3.0
189.05475	100.0
189.06952	4.8
190.06253	2.4
190.07788	7.4
191.07060	3.1
191.08553	15.5
192.09241	2.6
193.10168	3.5
194.07188	3.2
195.08073	8.2
197.05904	1.6
202.07759	4.6
203.03360	4.1
203.08524	3.7
205.04942	11.2
205.06490	2.8
206.07280	1.8
207.08075	4.5
209.05887	2.1
209.09590	5.0
218.07228	4.9
219.06320	2.4
219.08098	19.7
220.08768	2.1
221.06079	2.1
221.09633	3.1
222.06926	1.7
223.07527	8.9
229.06418	1.5
231.08029	4.0
233.05974	2.8
234.06526	1.7
235.07608	6.5
237.09094	5.4
247.07562	18.7
248.08429	2.8
249.09064	2.0
250.06427	2.6
251.07037	6.4
253.08522	2.0
255.10246	1.8
261.05652	1.6
263.07065	5.4
265.08615	13.2
275.07053	20.0
276.07742	2.6
277.08585	3.9
277.20456	1.7
279.06583	1.6
279.10126	4.9
283.09695	2.6
287.07169	1.5
289.08673	1.7
291.06519	1.8
293.08069	12.6
303.06540	13.0
305.08072	1.8
307.09683	9.2
317.08066	3.4
320.46454	1.5
321.07590	11.8
325.10709	8.8
331.05936	3.9
335.09125	14.7
339.12408	1.6
345.07748	1.7
349.07187	6.9
353.10190	12.8
363.08554	15.5
367.11896	3.0
381.09625	22.4
385.12952	2.1
395.11346	9.3
399.10876	2.9
413.12335	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3623
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03951	2.2
55.05513	10.8
57.07079	6.3
59.57063	1.1
66.57580	1.3
67.05510	17.7
69.07071	15.4
69.30151	10.5
71.04980	2.5
71.08616	1.6
73.74928	1.1
79.05497	14.8
81.06596	2.1
81.07063	39.1
83.04976	1.7
83.08609	8.1
85.06549	2.5
91.05489	12.7
93.07045	26.1
95.08614	51.2
97.10176	6.2
99.08105	10.6
103.14246	1.3
105.07035	26.6
107.07883	2.1
107.08606	34.3
109.06584	1.3
109.10165	34.2
111.11717	1.9
113.09651	2.0
117.07024	4.7
117.09126	1.4
119.08588	38.3
121.10144	25.2
123.08047	1.6
123.11702	13.5
129.06981	3.1
131.08568	14.8
133.10133	26.2
135.11696	19.0
135.56355	1.1
137.13252	8.4
139.11212	5.9
143.08638	5.9
145.10132	18.9
147.11694	19.8
149.13284	13.5
157.10094	8.0
159.11699	25.4
161.13293	10.9
163.14832	12.9
165.16376	1.9
169.10081	2.4
171.11723	8.2
173.13248	11.9
175.14850	6.4
177.16368	7.6
179.97598	1.4
181.15933	6.3
183.11745	3.6
185.13246	7.7
187.14828	14.6
189.16396	11.8
191.17972	12.1
193.15852	2.4
193.19588	1.6
197.13254	3.7
199.14876	4.7
201.16405	10.2
203.17970	22.5
203.19774	1.8
205.15907	2.3
205.19528	2.0
207.17601	2.0
211.14845	4.8
213.16435	5.1
215.17967	6.4
217.19566	5.5
219.17619	1.8
219.21266	1.2
221.19031	14.8
226.17250	4.4
227.18030	6.3
229.19542	11.9
231.17476	2.5
231.21141	5.3
241.19589	4.0
243.21147	3.4
253.19604	1.3
255.21156	4.4
261.22311	1.5
267.20883	1.6
269.22647	14.7
270.20496	1.5
273.22144	2.6
281.22662	1.5
287.23730	1.4
309.25656	2.1
323.27310	1.5
327.26953	2.1
369.31372	2.3
393.27856	3.1
393.35144	3.5
411.28986	6.9
411.36249	100.0
412.36740	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38412	1.0
64.53519	1.1
67.05479	1.3
71.04963	1.4
71.56450	1.9
77.44846	1.1
79.05499	1.1
81.07039	2.2
82.08361	1.0
91.05482	1.0
93.07021	3.3
95.08607	2.1
98.97591	1.4
105.07029	1.3
107.08611	1.5
108.08899	1.0
119.08582	2.4
120.08891	1.3
129.03363	8.3
131.04932	1.6
131.08527	1.1
133.10190	1.3
145.10106	1.6
159.11678	1.7
161.05962	4.0
189.05469	100.0
208.08858	1.1
214.51486	1.1
230.94389	1.1
302.04562	1.1
394.28067	1.8
412.28958	4.6
412.34018	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3619
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
51.34401	0.9
53.03932	1.0
55.05510	8.8
57.07067	2.5
59.02467	1.4
67.05506	14.2
69.07074	17.4
71.56137	1.6
79.05486	11.8
81.07059	40.2
83.04968	1.0
83.08619	6.6
85.06550	1.4
91.05472	11.3
93.06474	2.1
93.07043	29.8
95.04982	1.4
95.08606	65.7
97.06503	1.3
97.10155	4.2
99.08075	1.3
102.89134	1.0
105.07030	21.9
107.08598	56.0
109.10156	31.3
109.10836	0.9
111.08086	3.0
111.11705	1.9
117.06956	1.7
119.08582	24.8
121.10141	34.6
123.11700	13.4
125.09621	1.3
131.08580	3.4
133.10124	18.3
135.11685	22.7
137.09669	1.1
137.13252	5.2
139.87540	1.0
143.08638	1.5
144.57405	1.2
145.10091	4.6
147.11697	17.8
149.13263	32.0
151.11211	2.2
157.10184	1.5
159.11758	5.6
161.13268	16.4
163.14816	57.5
165.12820	1.3
171.11685	1.6
173.13275	3.7
175.14828	19.5
177.12904	1.2
177.16396	27.0
179.14253	5.5
179.22240	1.0
187.14828	11.1
189.16383	25.1
191.03320	1.1
191.17950	19.0
201.16408	5.0
203.16043	1.8
203.17955	34.0
205.15973	1.7
205.19518	5.0
207.17494	5.3
213.16333	1.2
215.17955	6.3
217.19481	5.8
219.17418	2.4
221.19034	2.7
229.19539	3.1
231.21078	17.7
233.18974	4.3
233.22705	2.5
235.07678	1.3
241.19441	1.2
243.21057	2.4
247.20557	1.7
247.24228	2.7
269.22717	1.7
273.22183	1.2
297.25800	1.4
315.26810	1.7
347.05438	1.4
360.41806	1.1
393.35056	11.9
411.36215	100.0
412.36493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3624
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05516	8.3
57.07071	4.0
67.05506	16.8
69.07071	18.8
69.37811	4.3
69.38229	7.1
71.04970	2.5
71.08636	1.8
72.99303	1.2
76.23544	1.3
79.05496	10.6
81.07063	38.2
83.08620	7.5
85.06587	1.4
91.05479	10.9
93.07049	24.4
95.08614	47.5
97.10161	5.8
98.36632	1.7
99.08094	12.9
105.07041	23.5
107.08597	31.4
109.10171	31.8
111.11739	2.6
113.09662	2.1
115.05408	1.9
117.07015	4.5
119.07808	2.6
119.08593	32.2
121.10160	24.8
123.11723	13.5
129.07045	1.9
131.08592	12.5
133.10132	30.5
135.11714	16.4
137.13286	11.8
139.11197	4.4
143.08577	5.8
145.10115	23.5
147.11711	21.6
149.13257	15.3
151.14830	1.8
155.08539	2.0
157.10152	8.6
159.11708	20.6
161.13275	13.9
163.11064	1.5
163.14850	12.5
165.12682	1.7
165.16580	1.3
169.23286	1.5
171.08133	1.4
171.11653	7.9
172.12456	2.1
172.38049	1.7
173.13260	11.6
175.14828	8.0
177.16394	7.6
179.05609	1.4
181.15883	6.2
183.11780	3.0
184.12587	1.5
185.13229	8.9
187.14857	14.6
189.16354	11.1
191.17957	12.5
193.15987	3.8
193.19493	2.5
197.13208	1.9
199.14854	4.5
201.16370	11.0
203.17976	25.2
205.15681	1.8
207.17413	1.7
211.14883	2.8
213.16425	6.7
215.18018	7.6
217.19576	6.3
221.19032	18.8
225.16449	2.3
226.17165	4.9
227.17859	8.0
229.19456	9.8
231.17561	2.8
231.21074	7.2
233.18915	1.8
241.19493	4.1
243.21144	4.5
255.21101	4.2
259.20609	2.6
261.22223	1.8
269.22623	13.7
273.22083	3.3
283.24414	2.3
309.25528	1.7
323.27432	3.4
369.31461	2.2
393.28183	3.2
393.35193	4.9
411.28421	3.8
411.36255	100.0
412.36304	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	411.2892
Annotation	Sinensiaxanthin
Peak:m/z	Relative Intensity
52.31231	1.4
55.05513	8.1
65.03951	1.7
67.05502	16.7
69.07072	9.7
71.04996	13.0
79.05494	21.3
81.07054	29.7
83.04994	3.3
83.08644	4.5
85.06561	5.6
91.05475	28.0
93.07043	33.7
95.04970	2.9
95.08607	25.5
97.06567	4.9
97.10173	1.4
105.07030	62.3
107.08595	36.4
107.09286	2.3
109.06519	4.0
109.10161	14.9
115.05481	2.6
117.07007	18.2
119.08573	50.3
121.06532	3.9
121.10148	21.4
123.08070	3.2
123.11724	3.4
125.09678	2.7
128.06212	3.7
129.06996	11.2
130.07816	3.9
131.08563	33.8
131.09508	1.8
133.10130	29.5
135.08095	3.5
135.11723	13.2
137.09645	2.1
139.07538	2.3
142.07831	7.2
143.08548	20.1
144.09315	8.6
145.10123	69.1
147.08096	4.4
147.11690	49.7
149.09665	4.2
149.13257	17.8
153.09164	2.7
155.08551	8.3
156.09396	3.2
157.10149	34.8
159.08054	2.0
159.11685	93.0
161.09700	7.2
161.13252	24.5
163.11259	6.9
163.14951	3.4
165.09152	1.8
165.12808	4.3
167.07066	1.9
167.08511	1.8
167.10715	3.0
168.09366	1.7
169.08832	2.9
169.10062	8.6
171.11678	17.1
173.09781	3.1
173.13261	26.7
175.11292	5.4
175.14786	9.0
177.09113	3.1
177.12822	6.5
179.10786	3.4
181.10191	4.7
181.12256	2.9
183.11700	8.9
185.09674	1.6
185.13251	20.7
185.14668	2.0
187.11263	3.7
187.14824	12.5
189.05466	2.8
189.12846	6.4
189.16441	2.0
191.10735	3.2
191.14349	3.3
193.10612	1.6
193.12300	3.1
195.11769	4.7
195.13649	2.3
197.13246	10.0
199.11127	2.1
199.14842	11.5
201.12743	2.2
201.16515	4.2
203.14354	3.8
205.12288	2.9
207.11920	1.9
207.13895	2.9
209.13321	3.7
211.14925	6.4
213.12790	1.9
213.16460	5.1
215.14497	3.2
217.12317	2.3
217.15979	5.0
219.13934	4.5
221.13382	3.1
221.15445	4.8
223.14890	4.5
225.16518	6.5
227.18074	2.8
229.15944	3.5
231.13954	2.3
233.15553	5.0
235.14886	2.8
235.17120	2.1
237.16510	4.6
239.14497	2.1
239.18015	4.5
245.15422	3.5
247.17033	7.2
251.18073	2.2
253.16168	2.1
253.19629	4.0
255.17471	2.6
259.17191	1.9
265.19638	3.0
271.17239	2.1
273.18723	1.7
283.20761	2.1
285.18506	2.1
291.21207	1.9
325.21771	2.1
327.23151	10.6
351.27036	2.7
353.24957	2.3
365.28653	2.2
375.26810	11.2
381.27957	2.3
383.29892	2.1
393.27890	37.7
393.32568	2.5
411.29126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.289
Annotation	Sinensiaxanthin
Peak:m/z	Relative Intensity
53.03946	2.7
55.01860	1.2
55.05510	7.9
57.03426	1.0
57.12505	0.8
65.03931	1.7
66.91501	0.7
67.05504	14.8
69.03396	0.9
69.07069	7.7
71.04985	10.0
77.03918	1.2
79.05067	1.1
79.05496	13.9
79.05939	0.7
81.06586	1.5
81.07056	33.0
83.04974	2.6
83.08617	2.9
85.06550	5.6
91.05477	25.5
93.07040	34.9
95.04952	2.9
95.08604	27.3
95.09085	0.6
97.06520	3.2
97.10154	2.3
99.04450	1.0
101.05984	0.9
103.05463	1.9
105.07028	63.8
107.04942	1.2
107.08589	34.9
109.06508	4.8
109.10149	13.3
111.08081	1.8
115.05436	2.6
116.06236	1.1
117.07017	15.0
119.08576	51.5
121.06509	3.4
121.10141	22.0
123.08065	3.3
123.11716	3.9
125.05975	1.2
125.09657	1.3
127.07565	1.1
128.06218	4.5
129.07008	10.3
130.07808	4.4
131.08568	33.2
133.06483	1.9
133.10126	29.2
135.08037	3.8
135.11681	13.0
137.05908	0.8
137.09596	2.2
139.07549	0.9
141.06940	1.8
142.07803	6.1
143.08559	19.2
144.09329	9.1
145.10118	70.6
146.10765	1.0
147.08043	4.8
147.11684	44.8
149.09595	5.3
149.13254	13.9
151.07523	1.2
151.11150	1.7
153.09111	1.6
155.08551	5.7
156.09341	4.4
157.10129	28.2
158.10907	2.2
159.08078	2.6
159.11688	100.0
161.09627	6.4
161.13252	29.5
163.07428	1.2
163.11209	5.8
163.14839	6.4
165.09099	2.4
165.12770	3.1
167.07054	2.0
167.08453	1.8
167.10687	2.5
168.09358	1.4
169.08757	1.6
169.10130	7.1
170.10832	1.7
171.11678	17.6
173.09602	3.0
173.13255	31.2
175.11223	4.4
175.14796	11.3
177.09119	2.4
177.12781	4.6
177.16344	1.4
179.08517	1.5
179.10670	3.2
179.14354	1.0
181.10120	3.2
181.12234	2.5
182.10933	1.0
183.11674	8.9
185.09628	1.9
185.13248	16.5
187.11208	2.9
187.14818	10.7
189.12718	3.9
189.16426	3.4
191.10619	4.0
191.14326	3.6
193.10115	1.2
193.12224	1.4
195.11646	3.8
196.12506	1.1
197.13263	9.6
199.11223	1.0
199.14815	11.5
201.12646	4.1
201.16310	4.2
203.14313	3.2
203.17964	2.8
205.12231	2.4
205.15819	1.6
207.11908	1.2
207.13847	3.1
209.13225	4.2
211.14838	6.5
213.12730	2.3
213.16379	5.8
215.14313	3.3
215.17973	1.0
217.12360	1.1
217.15871	2.6
219.13843	4.5
221.13393	1.9
221.15396	5.2
223.14845	2.2
225.16327	5.5
227.14256	1.4
227.17932	2.3
229.15881	3.9
229.19478	1.2
231.13872	2.4
231.17418	1.3
233.15370	4.2
235.14853	2.0
235.16945	2.2
237.16434	2.3
239.18002	2.8
241.15965	1.3
241.19337	1.4
245.15436	3.8
245.19072	1.1
247.14705	1.6
247.16899	7.6
249.16484	2.0
251.17982	2.5
253.19516	2.0
255.17413	1.3
257.15579	1.2
259.17084	1.1
263.16293	1.0
265.17880	1.3
267.17453	0.9
267.21274	1.0
269.18860	1.0
271.16910	0.9
273.18420	0.9
279.20935	1.5
291.21063	1.3
295.20453	1.1
297.18793	1.1
297.22113	1.2
309.22321	1.3
319.20377	1.2
325.21631	1.5
327.23215	5.5
333.25867	1.0
335.23590	1.6
347.27292	1.0
353.24683	1.7
357.25574	1.5
365.28357	2.3
375.26877	7.7
381.27716	2.5
386.72266	0.9
393.27853	31.3
411.28922	98.1
412.29526	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1992
Annotation	diflorasone
Peak:m/z	Relative Intensity
56.96560	0.4
67.05490	0.4
69.03436	0.8
69.07049	0.3
70.06578	0.7
70.30231	0.4
70.30587	1.3
79.05511	0.4
81.03391	0.4
84.08164	0.4
85.02907	0.7
85.84939	0.3
86.14458	0.3
89.03899	0.4
91.05475	0.8
93.07085	0.5
95.04985	0.4
98.20856	0.4
98.97575	0.3
105.07121	0.5
107.08610	0.6
127.03902	0.4
135.04472	0.6
145.02844	1.0
147.04434	0.6
147.09164	1.0
149.05977	0.5
159.20935	0.4
161.03072	0.4
163.03944	1.8
173.09383	0.5
177.05498	0.6
191.08147	0.8
203.05280	14.3
231.10152	1.8
231.13527	1.8
233.10254	0.4
249.09685	0.6
267.10922	0.9
291.10876	1.7
309.11819	1.6
325.14069	0.7
345.04904	0.4
353.15710	10.1
411.19943	100.0
412.20135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1989
Annotation	diflorasone
Peak:m/z	Relative Intensity
53.73280	0.3
54.26861	0.3
69.34577	1.0
69.34990	1.7
81.03384	0.3
82.07327	0.3
98.21561	0.7
98.40286	0.3
108.44251	0.3
122.06037	0.3
136.07527	0.6
169.10413	0.3
203.05298	0.6
212.05305	0.3
224.99016	0.3
249.14659	0.9
411.19910	100.0
412.20172	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.2
55.05512	0.3
59.16371	0.2
67.05511	0.3
69.03421	0.3
70.06597	2.1
71.06913	0.6
75.97782	0.2
76.62820	0.2
79.05497	0.5
81.03419	1.0
81.07047	0.4
83.08585	0.2
85.02925	0.2
91.05489	0.8
93.07037	0.5
95.04951	0.8
97.02898	0.4
98.97597	0.2
105.07021	0.3
107.04951	0.3
107.08568	0.2
109.02914	0.4
111.04439	0.2
116.97586	0.2
117.07018	0.4
120.08112	0.3
121.02873	0.3
121.06506	0.4
131.04938	0.2
131.08522	0.2
133.06503	0.2
133.10136	0.2
135.04442	0.2
135.11668	0.3
143.00201	0.2
145.06546	0.3
145.10155	0.2
147.04419	0.6
147.08089	0.2
147.11714	0.2
149.05946	0.2
161.06033	0.4
161.09583	0.2
163.03961	0.3
163.11234	0.4
173.05927	0.2
189.05525	0.6
203.05328	0.2
218.13733	0.3
231.13829	0.2
249.14719	1.6
255.13647	0.2
262.36169	0.2
271.13300	0.2
273.14917	1.1
278.92499	0.2
293.07632	0.2
301.14307	0.9
314.15735	0.2
319.15518	0.4
363.17896	0.5
367.17334	1.8
375.18097	1.0
381.18716	0.4
393.18747	1.0
411.19891	100.0
412.20383	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78202	0.3
70.90033	1.0
74.95631	0.4
75.86146	0.3
84.79933	0.3
125.88987	0.3
194.83249	0.4
203.05357	0.4
209.15701	0.3
249.09560	0.4
249.11031	0.7
255.10870	0.4
258.18246	0.3
267.10745	1.5
291.10822	0.9
325.14078	0.4
379.33380	0.4
411.16196	100.0
412.16553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45619	0.3
70.90080	0.7
91.05479	0.6
94.24896	0.3
96.45630	0.3
119.04903	0.4
122.71782	0.3
164.61958	0.3
189.07608	0.3
203.05315	0.5
207.08734	0.5
249.10983	0.6
255.10654	0.3
267.10931	1.6
291.10779	0.5
309.11920	0.7
351.13199	0.3
411.16293	100.0
412.16632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1988
Annotation	diflorasone
Peak:m/z	Relative Intensity
57.94952	0.6
58.97117	0.5
71.34962	1.0
78.22925	0.4
80.40458	0.5
85.02917	0.5
110.33262	0.5
147.09183	2.9
191.08215	2.3
203.05305	3.2
203.06857	0.5
208.66164	0.5
231.06207	0.6
231.13582	1.2
281.14978	1.2
325.13940	2.3
393.18701	1.1
394.12817	1.0
406.11649	0.5
411.12311	9.9
411.20313	100.0
412.20236	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
50.14237	0.2
70.59747	0.7
74.77599	0.2
85.02908	0.3
98.20846	0.3
163.03926	0.3
197.07475	0.3
345.86206	0.3
411.19910	100.0
412.20346	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32468	0.5
57.03441	0.5
59.28727	0.6
69.03418	0.5
69.22934	0.6
70.23411	1.9
81.03417	0.6
83.62493	0.5
84.17273	0.5
85.02917	1.4
89.19857	0.6
96.11487	0.5
100.22726	0.5
101.00908	1.3
119.01962	1.5
126.37821	0.6
143.01947	0.7
145.01643	0.9
145.03468	0.9
147.04417	0.6
157.03534	1.4
163.02776	1.2
185.04237	3.0
203.05385	2.8
205.05386	0.6
223.06647	3.7
231.02632	3.9
249.03716	5.6
265.07742	0.8
297.08334	0.9
335.08313	1.0
353.84525	0.6
363.07748	1.0
379.07166	2.3
411.09012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92145	0.6
55.12283	0.5
61.84841	0.5
62.65499	0.5
69.03436	0.9
69.20953	1.3
69.21359	4.9
85.02901	1.4
88.44498	0.5
96.15319	0.5
97.02877	0.7
97.50400	0.5
101.00864	1.9
110.57919	0.6
119.01885	1.5
143.01921	1.1
145.03450	0.6
157.03453	2.1
177.05458	0.7
185.04245	4.5
203.05353	3.0
205.05475	1.3
223.06549	4.0
231.02678	3.7
231.69019	0.6
238.87749	0.6
241.07535	0.6
249.03722	8.1
265.07941	0.9
335.08212	1.4
351.07797	0.8
358.17673	0.6
363.07440	0.7
367.09323	0.8
379.07266	1.8
386.14569	0.7
411.08960	100.0
412.09482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50359	1.3
60.74773	1.4
61.02919	1.6
69.03420	3.8
69.91421	3.3
69.91833	6.4
71.60171	1.3
82.99841	4.0
85.02885	4.2
86.99292	1.9
94.57763	1.5
97.02864	3.5
101.00885	44.6
102.00947	1.6
113.00880	2.8
115.02402	5.1
117.03941	1.3
119.01925	42.8
121.01659	1.7
127.02402	4.5
131.01894	4.9
133.03464	8.6
137.02962	3.6
139.02411	10.7
143.01903	20.6
145.01614	2.4
145.03461	15.5
147.01346	1.5
155.01923	4.0
157.03477	54.6
161.02989	15.4
163.04538	8.7
169.03423	2.4
171.01361	2.1
171.05040	2.2
173.02927	1.5
175.04546	26.0
181.05516	4.1
185.04312	2.6
187.04536	2.1
201.02493	1.9
203.05354	2.5
205.05551	25.5
209.02905	2.7
213.02554	1.7
217.02032	1.8
223.06641	100.0
224.06868	1.7
227.03989	2.0
231.02643	2.0
237.08214	2.5
241.07704	18.2
245.05150	1.6
246.08275	1.9
249.03632	3.7
251.06161	4.7
265.05188	2.9
265.07721	31.5
279.07355	2.2
291.05710	12.8
293.07144	10.4
295.08646	4.9
297.08203	3.5
303.05234	1.9
309.04892	2.6
317.07135	5.4
319.05075	9.4
321.06522	5.4
335.08243	37.1
343.04904	2.9
351.07648	14.8
363.07736	28.0
375.07660	2.8
379.07236	72.6
381.08664	5.0
393.08823	2.9
393.14014	2.1
411.09079	69.0
427.58365	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24763	5.4
55.05497	14.3
57.03446	13.8
61.02929	6.7
67.05492	17.4
69.03429	66.5
69.07054	8.2
71.04974	10.6
71.55958	5.9
73.26632	5.9
79.05478	21.2
81.03418	70.5
81.07045	24.4
83.04988	38.0
83.08614	19.2
85.02884	24.3
91.05491	32.0
93.07026	16.5
95.04965	24.8
95.08651	12.8
99.04448	7.9
105.07000	13.5
107.04935	11.0
107.36704	5.2
109.06512	5.5
110.52140	5.9
111.04452	34.9
111.08060	8.9
112.40332	6.2
114.12788	6.6
119.08559	9.9
121.10133	7.1
129.05482	45.2
129.06969	6.6
133.10143	12.9
147.06520	20.0
147.11612	9.5
149.09572	5.8
149.51776	6.0
153.12825	8.8
157.10109	11.8
165.07585	15.5
165.12706	9.3
175.11166	17.6
193.12222	51.2
203.28909	5.4
211.13277	100.0
216.08249	6.8
234.33177	5.6
296.12189	6.3
339.17999	69.6
357.19092	47.4
410.18625	15.0
411.19913	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	410.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64039	1.5
53.03937	2.4
56.96566	3.4
57.03423	2.1
61.02925	3.8
69.03419	8.1
69.94408	5.6
73.02907	2.2
79.05486	4.6
81.03420	3.8
81.07057	3.2
85.02908	31.6
91.05476	6.2
93.07043	7.6
95.04969	2.3
97.02882	7.8
98.20797	2.3
98.97600	7.7
100.40412	2.0
103.05453	4.1
105.07033	6.5
109.02888	4.2
115.54794	1.8
116.01723	2.1
116.98677	3.1
119.04906	2.5
121.06511	33.8
122.40620	1.8
127.03935	6.9
131.04930	3.1
133.06509	2.0
135.04413	4.0
143.01851	2.8
145.04958	5.3
147.04399	4.7
149.05984	59.2
158.99666	2.5
159.04433	4.9
167.07031	16.1
177.00723	2.5
177.05475	100.0
189.05640	1.8
195.06520	48.1
213.07610	20.8
219.01649	2.2
231.08488	3.5
239.02161	3.5
283.01175	2.4
325.02225	4.5
367.83981	2.1
411.09097	21.9
414.97653	2.0
427.05582	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.01866	3.7
55.05508	18.4
57.03421	1.9
57.07072	8.3
59.04981	3.4
59.06946	1.4
63.04480	1.4
65.03927	2.9
67.05502	31.5
69.03415	9.1
69.07079	9.3
69.07393	2.6
69.48871	1.6
70.91595	3.3
71.04974	4.4
79.05495	28.9
80.06259	1.6
81.03400	3.4
81.06591	2.7
81.07053	43.3
83.04977	9.7
83.08603	3.3
85.06533	5.0
89.22006	1.5
91.05478	44.0
93.07041	59.4
95.04966	59.7
95.08603	37.0
97.06522	12.9
98.97535	1.9
100.97171	1.6
103.05449	4.1
105.07030	100.0
107.04939	3.1
107.08590	35.8
109.06525	14.1
109.10159	34.5
111.04446	1.6
111.08085	3.2
115.05460	4.6
117.07001	16.9
119.04914	3.0
119.08579	69.3
120.09339	2.8
121.06498	22.8
121.10123	21.3
123.08063	21.5
123.11682	3.3
127.11153	2.1
128.06194	8.5
129.05470	2.7
129.07008	9.8
130.07777	4.4
131.08557	27.1
132.09351	1.7
133.06479	4.8
133.10132	25.2
133.78041	1.8
135.08058	18.2
135.11710	10.4
137.05948	1.8
137.09595	10.2
141.06972	5.4
142.07788	17.0
143.08548	24.0
144.09319	5.6
145.06451	3.7
145.10123	46.6
147.08057	18.4
147.11681	41.3
147.12816	3.0
149.09602	9.8
151.07518	21.8
153.07051	2.5
153.09106	3.7
155.08578	8.8
156.09306	7.5
157.10117	31.0
158.10861	3.5
159.08058	6.3
159.11687	19.5
160.08844	2.7
161.09612	10.2
161.13246	5.7
163.11148	7.8
165.07031	2.6
165.09109	30.7
166.07826	1.8
167.08577	3.7
168.09305	6.5
169.10135	15.5
170.10846	3.3
171.11678	14.2
173.09608	6.6
173.13239	10.3
175.11163	22.4
175.14835	3.1
177.09084	3.9
177.12729	1.6
178.09836	2.8
179.08536	4.2
181.10094	5.4
181.12218	5.6
182.10931	4.3
183.11664	17.6
185.13239	9.6
187.11191	6.6
187.14781	5.6
189.12726	6.8
191.14272	3.6
193.10202	2.1
194.10936	2.4
195.11703	5.3
197.13205	6.4
199.11206	4.5
199.14862	4.3
200.12004	2.5
201.12724	13.5
201.16364	3.3
203.14307	15.0
207.11992	2.5
207.13719	9.8
209.13278	5.2
209.15411	6.2
211.14778	10.2
212.11998	2.0
213.12810	4.2
215.14241	2.6
219.11775	2.0
219.13814	4.4
221.15361	72.7
223.14882	3.5
225.16353	4.1
229.15923	5.7
231.13867	2.2
233.15309	2.9
234.16161	12.5
235.14857	4.8
236.11990	1.6
236.97255	1.6
237.16389	2.9
239.14507	2.9
241.15828	2.8
247.16873	1.9
253.15797	3.8
286.19247	3.8
287.20123	8.1
299.20062	3.1
300.20847	5.2
311.20105	2.4
329.21198	5.7
331.68695	1.5
353.20853	2.4
391.20352	5.5
391.26233	8.8
409.11035	3.0
409.27295	75.0
409.34326	4.0
432.83115	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03933	3.8
55.05509	15.9
57.07059	6.7
58.38876	2.9
58.50099	2.0
59.04989	4.3
65.03938	2.4
67.05505	17.4
69.03414	7.6
69.07058	8.2
69.53487	17.1
71.04972	2.6
79.05491	24.5
81.07060	31.6
83.04947	4.3
83.08620	3.2
85.06556	2.7
91.05485	34.5
93.07048	51.3
95.04967	45.6
95.08613	29.1
97.06512	10.5
101.21365	2.3
103.05460	3.9
105.07027	100.0
106.07352	10.6
107.08604	22.6
109.06515	11.5
109.10144	12.8
117.07019	12.9
119.08578	56.5
121.06490	18.1
121.10157	13.9
123.08076	18.0
128.06219	4.4
129.06990	8.7
130.07762	3.7
131.08565	20.7
133.06483	4.5
133.10141	18.4
135.08037	9.8
135.11719	4.5
137.09579	6.5
141.06998	4.9
142.07791	9.6
143.08560	16.6
144.09311	4.1
145.10138	30.9
147.08054	13.4
147.11682	29.5
149.02286	4.2
149.09624	10.0
151.07556	13.0
153.09077	4.2
155.08524	6.8
156.09323	7.8
157.10114	21.2
159.11688	12.3
161.09599	9.2
161.13200	4.9
165.09105	24.5
168.09343	4.7
169.10136	9.8
170.10794	2.5
171.11655	9.6
173.09637	5.2
173.13240	6.3
175.11183	16.8
178.07666	2.2
178.09779	2.5
181.10139	6.9
181.12201	3.1
183.10216	4.6
183.11679	11.9
184.10513	3.8
185.13219	6.9
187.11218	3.0
187.14778	4.9
189.12727	4.0
191.14253	3.1
193.10123	3.1
195.11795	4.3
196.12454	2.8
197.13203	3.2
199.11183	3.3
201.12669	5.4
201.16437	4.0
203.14256	10.7
207.13748	4.4
209.13303	4.0
211.14876	5.6
213.12747	3.3
217.12216	2.8
219.13847	3.9
221.13481	2.9
221.15358	68.7
223.14857	4.0
227.14172	3.2
229.15891	6.4
233.13173	3.2
233.15331	3.1
234.16161	13.2
235.14885	3.2
253.15775	3.8
286.19177	3.3
287.20132	6.5
300.20963	3.5
329.21078	4.8
391.26242	9.7
409.12079	9.6
409.27359	47.0
410.13431	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03949	4.7
53.08292	1.3
55.01864	2.1
55.05511	15.0
57.07073	3.8
59.05000	1.4
65.03932	2.4
67.05509	17.4
68.73698	1.4
69.03439	7.8
69.07063	6.2
70.48868	3.7
79.05492	19.7
81.07059	29.9
83.04988	9.3
83.08615	1.6
85.06541	3.4
91.05488	33.4
93.07046	42.6
93.19004	1.6
95.04382	3.5
95.04972	45.2
95.08607	24.1
97.06512	7.2
103.05464	3.8
105.07034	100.0
107.04967	1.8
107.08605	25.1
109.06528	11.0
109.10156	8.0
111.08067	1.7
115.05454	3.6
116.06262	1.7
117.07032	13.8
119.08586	55.4
121.06508	14.9
121.10138	15.2
123.08079	13.5
123.11678	2.6
128.06233	4.1
129.06993	8.3
130.07823	3.7
131.08569	22.9
132.09384	2.7
133.06531	4.3
133.10120	20.6
135.08057	11.8
135.11687	5.5
137.09628	8.0
141.07053	2.9
142.07790	11.7
143.08546	16.0
144.09352	4.2
145.06429	2.0
145.10132	35.8
146.10965	1.9
147.08035	12.3
147.11693	39.2
149.09608	11.7
151.07550	13.8
153.06952	2.0
153.09052	1.7
154.07661	1.7
155.08571	9.0
156.09355	5.4
157.10120	22.6
158.10898	1.7
159.08054	6.5
159.11691	13.7
160.08850	2.0
161.09633	5.6
161.13260	5.3
163.11234	5.5
165.09122	25.2
167.08525	3.5
168.09384	3.4
169.10094	9.3
170.10924	3.8
171.11732	8.8
173.09601	5.1
173.13231	6.3
174.10388	2.0
175.11201	28.7
175.14737	1.6
177.09117	3.0
178.09851	2.0
179.10686	2.1
181.10133	4.5
181.12228	2.0
182.10757	2.1
183.11740	9.4
185.09721	1.6
185.13246	4.6
187.11206	4.6
187.14864	2.4
189.12743	6.2
193.10115	2.8
195.11646	3.9
196.12560	1.5
197.13347	3.4
199.11208	2.6
199.14854	1.8
201.12804	8.2
201.16359	1.8
203.14311	9.4
207.11926	1.6
207.13860	5.7
209.13332	3.1
209.15387	2.7
211.14810	3.9
213.12657	2.1
215.14253	2.8
219.13849	4.0
221.13345	2.3
221.15359	64.3
225.12860	1.5
225.16292	1.5
229.15880	4.5
231.13850	3.5
233.15323	3.4
234.13905	2.3
234.16125	21.3
243.13916	2.2
247.14894	1.7
253.15822	3.6
267.17343	1.6
269.18976	1.9
279.17691	1.7
287.20041	6.0
300.20786	4.8
307.20444	1.8
327.83627	1.4
329.21207	4.9
391.26114	5.6
409.27365	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86102	2.1
55.05507	6.8
57.03441	4.0
57.94709	2.4
59.04993	2.7
59.99929	1.8
63.94976	2.3
67.05508	6.2
67.16645	2.2
69.03428	3.2
69.07058	4.4
70.06584	4.2
71.04979	4.3
71.55769	2.7
79.05472	4.7
81.03407	11.0
81.07050	5.8
83.04968	3.7
83.08622	3.9
84.04505	5.7
84.26661	2.0
85.02905	5.2
85.06531	8.7
86.09698	24.7
91.05476	6.1
93.07034	10.6
95.04981	3.8
95.08596	7.5
97.02892	2.7
98.97580	2.6
99.08097	77.1
102.05539	2.1
105.07033	5.7
107.08580	7.3
109.06550	2.3
109.10152	14.3
111.08051	4.3
116.98508	1.9
119.04971	4.4
119.08594	9.2
120.08113	18.4
121.10152	4.8
123.08066	4.7
125.09622	2.4
131.08563	3.5
132.10158	3.3
133.10127	22.5
135.11720	11.3
136.06210	3.2
136.07582	11.5
137.09613	5.3
151.11115	3.0
175.11079	2.1
175.14828	10.0
186.09198	2.2
193.12279	4.1
193.15881	100.0
211.13255	5.2
211.16846	3.6
216.07336	3.5
218.40553	2.0
219.01729	2.7
249.16086	5.3
266.87604	2.1
267.15976	19.2
277.15808	2.4
296.10117	2.4
356.20541	2.4
362.04089	2.8
390.09677	2.8
408.22650	2.1
426.40527	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.0
56.96561	3.7
57.07052	3.3
61.02909	2.7
63.10602	2.8
67.05501	11.7
68.67617	3.1
69.03417	5.9
69.07059	11.2
69.75057	13.8
70.06580	3.3
71.04982	6.7
79.05492	3.9
81.03410	3.1
81.07046	11.2
83.04971	5.5
83.08597	4.5
85.02898	12.9
85.06539	5.4
86.09679	4.3
91.05469	9.6
93.07045	22.1
95.08606	23.1
97.02898	5.2
97.06533	3.1
97.10184	3.2
98.97583	4.9
99.08092	48.4
99.73511	3.0
105.07028	17.3
107.08591	32.8
109.10158	48.5
109.26850	2.8
117.07150	2.9
119.08582	40.2
121.10135	16.8
123.08045	9.3
123.11708	5.9
127.03858	3.6
131.08519	5.2
133.10136	98.9
135.11696	79.4
137.09627	20.6
145.04941	3.9
147.11694	4.5
149.13277	5.7
151.14725	3.3
153.12837	3.6
154.05019	4.6
163.29822	2.9
165.16444	3.1
175.14832	100.0
177.16344	6.8
178.05046	3.9
193.15887	81.9
193.83667	3.1
206.04646	3.4
209.11678	3.1
211.16919	48.6
399.78363	3.1
408.21677	8.7
409.17981	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	409.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10852	0.8
69.48235	0.7
69.63631	0.8
70.97376	1.7
80.27090	0.8
84.77191	0.8
106.37411	0.8
132.05151	0.8
138.02074	0.9
145.46793	0.9
199.69240	0.7
226.48877	0.9
227.05167	1.2
409.11053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75493	2.1
69.75901	4.2
85.02905	3.5
87.58191	1.2
88.54684	1.0
90.31438	0.9
91.05482	2.7
97.02892	1.2
98.21506	1.6
98.97578	2.4
99.13682	1.1
101.00883	4.9
113.00909	1.6
119.01927	3.6
119.04925	2.8
131.01877	1.5
143.01918	10.2
145.01744	1.3
147.04431	4.3
155.01904	1.9
158.99745	1.1
161.03003	7.4
175.03880	1.5
181.03577	1.6
189.05533	1.9
203.04019	2.4
205.03517	1.8
207.06599	1.6
219.01807	1.4
223.04573	1.3
223.06660	1.3
237.02739	1.9
257.03445	1.3
265.05432	2.0
277.06168	1.2
295.07080	3.1
307.06653	3.8
329.99594	1.1
377.07117	1.6
395.08124	1.9
409.11066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.8
55.01873	2.5
55.05509	26.5
55.06561	2.3
57.03430	2.6
57.07064	7.4
59.05008	4.6
61.02919	11.1
65.03957	2.1
67.05508	31.6
69.03430	89.8
69.07066	9.8
69.47007	7.5
69.47434	6.6
70.22822	2.3
71.04984	8.8
74.15179	2.3
79.05495	26.5
80.27850	2.2
81.03404	10.0
81.07056	41.9
83.04499	2.8
83.04980	43.7
83.08617	5.2
85.02907	5.3
85.06545	3.4
91.05482	40.4
93.06483	4.6
93.07043	52.2
95.04971	50.2
95.08610	34.0
97.06525	7.5
97.10177	3.0
98.34356	2.6
99.04458	18.2
100.74928	2.0
103.05476	3.4
105.07030	100.0
107.08599	28.3
109.06525	13.6
109.10167	20.5
111.04440	22.0
111.08109	2.2
115.05457	4.9
117.07000	11.6
119.08587	61.0
120.09340	2.5
121.06492	16.6
121.10165	11.5
123.08061	16.5
123.11729	3.9
128.06235	3.3
129.05479	84.3
129.07018	7.4
130.07784	4.7
131.08566	20.1
133.06483	5.1
133.10120	16.7
135.08069	11.8
135.11711	4.9
137.09621	8.9
141.07019	3.7
142.07791	9.9
143.08575	14.7
144.09430	2.6
145.06488	2.5
145.10126	38.9
147.08055	17.7
147.11693	39.1
148.75328	2.1
149.09637	11.7
151.07544	15.6
151.11166	2.7
151.14827	2.4
153.09187	2.4
155.08565	7.6
155.16507	2.0
156.09395	4.3
157.10159	18.7
159.08093	4.9
159.11682	12.8
160.08881	2.8
161.09628	4.7
161.13286	7.1
163.11128	4.6
165.09119	26.6
167.08482	2.7
168.09340	4.7
169.10135	8.9
170.10950	3.9
171.11681	9.6
173.09583	3.0
173.11871	4.6
173.13303	12.5
175.11209	30.8
177.09114	2.9
181.10095	4.0
181.12253	2.6
182.10970	2.9
183.11659	10.1
185.13240	3.2
187.11148	6.0
187.14777	4.8
189.12766	6.0
195.11711	5.1
196.12538	3.3
197.13225	4.6
199.14821	3.6
201.12799	6.2
201.16380	3.3
203.14319	9.6
207.13753	5.9
209.13278	5.2
209.15150	2.6
211.14893	5.3
213.12781	3.0
215.14400	2.3
219.13797	4.5
221.13448	2.6
221.15361	63.4
225.16492	2.8
229.15845	6.3
231.13799	4.0
233.15366	4.2
234.16188	20.7
253.15892	3.4
286.19156	4.2
287.20129	8.0
300.20993	3.4
329.21112	6.0
391.26306	6.8
409.27087	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.0
56.96561	3.7
57.07052	3.3
61.02909	2.7
63.10602	2.8
67.05501	11.7
68.67617	3.1
69.03417	5.9
69.07059	11.2
69.75057	13.8
70.06580	3.3
71.04982	6.7
79.05492	3.9
81.03410	3.1
81.07046	11.2
83.04971	5.5
83.08597	4.5
85.02898	12.9
85.06539	5.4
86.09679	4.3
91.05469	9.6
93.07045	22.1
95.08606	23.1
97.02898	5.2
97.06533	3.1
97.10184	3.2
98.97583	4.9
99.08092	48.4
99.73511	3.0
105.07028	17.3
107.08591	32.8
109.10158	48.5
109.26850	2.8
117.07150	2.9
119.08582	40.2
121.10135	16.8
123.08045	9.3
123.11708	5.9
127.03858	3.6
131.08519	5.2
133.10136	98.9
135.11696	79.4
137.09627	20.6
145.04941	3.9
147.11694	4.5
149.13277	5.7
151.14725	3.3
153.12837	3.6
154.05019	4.6
163.29822	2.9
165.16444	3.1
175.14832	100.0
177.16344	6.8
178.05046	3.9
193.15887	81.9
193.83667	3.1
206.04646	3.4
209.11678	3.1
211.16919	48.6
399.78363	3.1
408.21677	8.7
409.17981	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	408.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84715	1.1
53.03924	1.3
53.23844	1.0
53.88507	1.0
55.05508	3.1
56.96570	1.7
57.03447	1.4
57.07066	1.2
67.05506	4.7
69.03423	2.8
69.07078	7.5
70.24812	1.2
71.05000	2.1
71.30817	1.9
79.05481	4.5
81.03425	1.6
81.07051	5.0
83.04994	2.1
85.02901	10.4
85.06535	1.6
86.09709	1.8
87.04446	1.1
91.05489	10.2
93.07056	7.1
95.04993	5.9
95.08610	3.5
97.02874	1.9
98.97579	3.5
103.05452	1.5
105.07035	8.4
107.08587	6.1
108.53285	1.0
109.06513	8.0
109.10170	6.4
110.97576	1.3
113.06006	2.1
119.08571	4.1
120.08079	2.3
121.10130	2.2
123.08075	1.2
123.11723	1.5
127.03873	1.2
131.04956	1.4
131.08572	4.4
133.10143	56.5
137.05992	4.9
137.09619	2.1
145.10008	1.1
147.11707	13.7
149.09595	2.7
151.07544	2.1
151.11186	39.3
151.12390	2.4
153.09084	1.4
154.39108	1.0
155.07028	10.0
157.10164	1.4
158.99626	2.1
164.07249	1.1
165.12758	3.2
175.11223	8.5
177.00772	1.2
191.07101	1.3
193.12256	27.9
193.15868	4.1
211.13301	100.0
212.13708	1.4
222.96147	1.1
223.09074	1.7
229.10847	1.8
229.14365	25.5
255.31934	1.2
317.58960	1.2
323.40018	1.3
327.16406	1.3
408.18762	3.4
408.68933	2.2
409.18338	7.5
427.16479	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
57.03416	0.4
58.21448	0.3
59.16854	0.2
61.02908	0.7
67.05500	0.4
67.88868	0.3
69.03420	2.0
69.07018	0.4
71.55869	0.4
73.02898	0.3
81.03397	0.7
85.02907	4.2
87.04456	0.3
88.75242	0.3
91.03964	0.3
91.05437	0.3
93.07074	0.3
97.02879	1.2
99.33037	0.3
105.07037	0.4
109.02883	0.8
116.98663	0.3
121.10217	0.3
123.04417	0.7
124.07567	0.4
126.13663	0.3
127.03880	0.7
131.08621	0.3
136.07613	0.4
145.10150	0.6
155.08562	0.5
172.11238	0.4
173.09589	0.3
182.06003	0.4
183.08151	0.4
185.08331	0.6
189.07880	1.2
200.07085	0.3
200.10667	1.9
201.00253	0.2
201.09172	0.3
213.07774	0.4
218.08112	1.6
218.11716	0.6
228.10155	0.9
231.08919	0.8
244.09680	2.5
245.10143	2.6
246.11264	100.0
247.11719	0.9
274.10709	0.3
288.12296	1.1
306.71124	0.3
390.15042	0.4
408.16537	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	407.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12998	0.5
56.96558	1.7
61.02925	0.8
67.05481	0.8
69.07062	0.6
70.94981	1.5
79.05492	0.9
81.03419	1.0
81.07039	1.7
85.02898	0.9
91.19579	0.5
91.95649	0.5
93.07021	1.0
95.08584	1.5
105.07057	0.9
107.08610	1.0
109.10150	0.8
133.10162	1.0
145.09990	0.5
184.01271	1.0
185.70821	0.6
193.12224	0.9
197.02100	100.0
198.02470	0.6
201.12695	0.5
211.13246	1.3
229.04745	6.4
229.07228	1.0
241.82318	0.5
247.58272	0.5
267.09064	2.0
269.10712	0.5
285.10077	4.0
307.09753	0.6
347.08920	1.3
357.07263	2.5
361.10309	2.9
362.57660	0.5
367.17999	1.9
375.08380	22.6
379.11539	5.4
385.18732	0.7
389.09995	1.2
407.11026	2.8
407.32849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	0.4
67.62849	0.4
70.06824	1.4
105.07033	0.4
112.31748	0.4
164.21072	0.3
196.44377	0.4
321.16791	3.1
407.24069	100.0
408.24448	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.96567	3.7
57.03429	0.4
61.02920	0.7
62.25652	0.4
67.05488	1.0
69.03431	0.7
69.07077	0.7
70.06626	0.8
70.67696	0.9
73.02902	0.5
77.41405	0.3
79.05487	0.5
81.03436	0.4
81.07055	1.0
83.08620	0.4
84.96016	0.5
85.02905	1.0
88.07626	0.3
91.05489	0.6
93.07011	0.9
95.04977	0.6
95.08599	0.4
97.06510	0.4
97.51057	0.4
98.97594	7.1
101.02361	0.4
105.07050	0.6
107.08561	0.4
110.97579	0.7
115.00669	0.4
116.98624	1.9
119.08589	0.6
121.10122	0.4
124.99112	1.1
127.03909	0.4
127.46323	0.3
128.98575	0.7
131.08530	0.8
133.10150	0.5
143.00192	2.1
144.98030	0.6
145.10086	0.5
147.11717	0.4
149.05746	0.3
158.99628	1.0
161.01241	1.4
168.98135	0.8
177.00797	0.5
185.01299	0.7
186.99130	2.6
190.98608	0.3
194.68289	0.4
203.02309	0.7
205.00217	2.2
229.00308	0.7
232.99721	0.5
241.07411	0.7
247.01071	0.5
248.99167	1.0
255.09140	0.4
256.26334	0.4
257.26614	0.7
257.71381	0.4
259.08603	0.5
267.09030	1.2
268.13284	0.4
269.10638	1.2
272.99179	1.7
275.20297	0.4
285.10135	1.9
287.11844	0.4
291.00278	2.3
295.15149	0.6
300.28894	0.5
301.29337	0.6
309.01538	0.5
309.16644	0.9
314.01761	0.4
331.15869	0.4
336.15295	0.4
345.31931	0.7
346.99179	0.6
349.16666	1.0
367.17944	0.5
407.24063	100.0
407.35287	6.2
408.24460	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.1
57.03443	5.7
58.28954	3.2
60.22709	3.2
66.60107	3.0
68.61301	3.1
69.03429	5.0
69.07066	7.6
69.17300	3.1
69.34634	27.2
69.35053	5.4
70.06597	3.4
71.04972	5.3
79.05485	6.3
81.07047	7.8
83.08623	7.3
85.02915	16.5
85.06542	3.7
86.09746	4.4
91.05502	10.7
93.07040	7.2
95.04967	41.3
95.08608	8.0
97.02900	6.3
97.06528	21.6
99.04459	11.7
99.08144	4.3
105.07054	8.6
107.08592	20.7
109.06525	25.7
109.10177	8.7
111.08080	6.5
119.08579	11.7
121.10136	15.6
123.08063	6.6
123.11652	3.6
125.09626	6.7
126.13655	3.7
131.08583	9.3
133.10147	42.9
135.08087	8.2
135.11693	3.6
145.10165	4.8
147.04408	4.1
147.11676	19.9
149.09644	8.2
149.13210	6.2
153.09108	30.2
153.14128	3.7
162.63507	3.1
163.14815	7.5
165.12790	5.2
173.13237	17.5
177.05464	3.9
191.14326	44.9
193.24692	3.5
209.13504	6.9
209.15379	92.1
215.06870	3.1
227.16426	100.0
433.27313	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	406.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.96563	4.6
57.03438	0.6
57.07081	5.0
58.06593	1.8
61.02921	0.6
67.05498	1.0
68.05024	0.5
69.07069	1.3
70.06593	16.6
70.54686	1.3
71.08613	1.6
71.95265	0.5
72.08141	1.7
79.05521	0.6
81.03416	0.8
81.07050	1.5
84.08151	2.6
85.02901	0.7
85.10179	0.9
86.09713	3.9
88.07639	2.8
89.06026	1.8
91.05454	0.9
93.07043	0.8
95.08602	1.4
97.06525	0.4
98.97592	16.1
101.09232	0.4
102.09179	0.5
105.07016	0.8
107.08585	1.2
109.10156	0.7
110.97533	0.5
114.09181	1.6
115.00660	0.6
116.98631	5.4
119.08569	0.7
121.10136	0.9
123.11751	0.4
124.99155	1.2
131.08603	0.5
132.10220	6.6
133.10133	0.4
134.99678	1.4
135.11694	0.6
140.00227	1.2
143.00157	2.9
144.98178	0.6
145.10124	0.8
146.11761	7.7
149.13300	0.6
158.99675	1.3
161.01230	1.7
162.99191	0.6
168.98079	0.7
172.97551	0.7
175.02806	0.6
176.12811	1.5
177.00748	0.8
185.01265	1.2
185.13264	0.6
186.99161	4.8
190.14409	1.5
190.98596	3.7
195.88693	0.5
203.02356	0.9
205.00206	3.4
208.99658	0.5
212.23769	1.6
214.00285	0.5
229.00211	0.9
232.99710	3.5
238.25305	1.9
240.26918	0.6
243.08951	0.7
247.01224	0.9
248.99170	1.3
251.00830	1.1
256.26376	1.8
267.09103	0.7
269.10663	1.1
270.12375	0.4
272.99164	2.0
274.02338	0.6
283.08643	0.5
285.10141	1.5
291.00220	3.5
300.28976	34.9
305.27261	0.4
314.02008	0.6
344.31595	17.2
350.89285	0.4
365.00751	0.5
367.17850	0.8
389.00720	0.4
406.35291	100.0
407.24146	3.5
407.35559	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93273	0.8
55.01886	1.7
55.05509	1.3
56.85541	1.0
57.03451	1.4
57.75651	1.0
59.47004	0.8
67.05514	2.7
69.03438	1.8
69.07081	2.9
69.91904	1.0
71.04994	5.3
71.55014	1.1
71.55400	1.0
77.84184	0.9
79.05500	7.8
81.07047	2.6
83.04967	2.5
85.02912	2.0
91.05489	7.0
93.07062	10.2
95.04983	2.7
95.05589	1.0
95.08591	1.0
97.02864	1.5
97.06531	1.2
98.97592	2.8
105.07031	7.3
107.04966	2.3
107.08613	15.8
109.06513	1.5
117.07031	2.5
119.08598	4.0
121.02901	2.1
121.06518	11.1
121.10147	8.3
123.08101	1.2
125.05993	2.0
130.07806	2.0
131.08575	59.6
133.10136	2.9
133.72816	0.9
135.08061	1.5
135.11696	2.0
143.08632	1.5
145.10133	15.9
147.11671	2.8
149.09621	22.0
149.10764	1.5
153.05478	3.1
158.10957	1.2
163.11168	7.7
163.14847	2.0
165.09081	1.7
173.13248	3.6
175.14853	2.5
191.10681	16.7
191.12444	1.2
191.14288	7.8
209.11746	100.0
227.12737	0.8
237.02795	0.9
259.11044	2.0
292.74527	0.9
406.17770	3.8
421.14053	1.0
433.78015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12467	2.9
53.48383	2.8
55.05510	13.8
61.34994	3.2
65.66106	3.4
66.52287	2.7
67.05503	5.0
69.07098	4.1
69.59067	2.9
71.04992	3.6
71.30006	5.6
75.05842	3.0
79.05493	5.5
81.07044	11.7
83.04980	12.5
83.08598	8.9
85.02896	13.0
85.06535	21.4
91.05448	6.6
93.07041	12.4
93.22776	3.0
95.04955	26.1
95.08584	5.5
97.06514	8.1
99.04450	5.6
105.07012	9.6
107.08591	13.1
109.06510	13.7
109.10147	12.4
115.07573	3.8
119.08570	4.8
121.10140	11.7
123.11705	4.9
125.09632	6.6
126.02154	3.0
131.08601	14.8
133.10152	25.7
135.08096	4.8
137.09712	4.1
145.10193	8.2
147.11659	8.8
149.05948	4.1
149.09637	10.9
149.13252	4.5
151.11179	13.8
153.09093	17.0
163.11157	5.0
163.14885	4.2
167.10704	5.9
167.14369	14.4
173.13264	17.9
173.14554	2.8
175.14828	4.0
177.05449	3.8
186.59084	3.0
191.10687	10.0
191.14336	19.1
209.11884	19.1
209.15356	100.0
221.12108	2.8
227.12816	29.6
227.16446	12.2
259.11069	4.9
295.00357	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40247	3.1
55.05519	5.6
58.64798	3.1
67.05492	6.8
68.95756	3.2
69.03424	8.0
69.07061	9.0
69.34990	25.4
69.65232	2.8
71.04975	8.5
71.43705	3.0
73.02892	3.7
79.05508	14.5
81.07050	14.9
83.04974	4.8
83.08600	4.0
85.02902	14.1
91.05472	12.2
93.07034	19.0
95.08595	8.2
97.02885	5.7
98.97588	16.8
105.07046	23.7
106.02866	3.2
107.04931	5.7
107.08607	35.4
107.59550	3.2
109.06518	5.1
109.10147	11.0
117.07029	5.5
119.08575	23.9
121.02867	11.5
121.06507	11.6
121.10147	23.2
123.08059	6.7
126.67327	3.1
129.07014	5.6
131.08577	75.7
133.06494	3.4
133.10146	23.8
135.08051	10.5
135.11685	8.4
137.09639	4.7
143.08603	3.9
145.05080	3.5
145.10136	22.6
147.11613	14.8
149.09619	30.7
149.13232	5.3
158.10916	8.9
158.99651	6.3
163.11150	8.6
163.14819	12.6
163.30962	3.1
173.13274	30.1
175.14845	30.6
191.10727	17.9
191.14310	67.3
193.15877	3.9
209.11745	100.0
209.15347	8.1
227.09169	4.1
244.09724	5.6
259.11026	4.8
287.25134	3.5
297.92520	3.2
406.17743	18.0
406.81879	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	406.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
55.05501	2.6
56.05036	6.0
57.03439	5.2
58.60128	0.7
58.99344	0.7
58.99589	7.8
61.01143	0.8
68.05019	0.9
69.07053	1.7
70.99318	1.4
71.04964	0.7
73.01120	1.2
74.00659	0.8
76.02231	17.6
76.03999	1.6
79.05508	4.0
81.07055	15.3
83.06096	1.6
83.08595	0.8
84.04504	20.1
85.01109	2.0
85.02903	0.9
86.00655	3.1
86.99034	4.5
87.02684	5.1
88.02184	1.8
90.59381	0.7
91.05477	1.1
93.07021	1.8
94.06557	0.7
95.08591	3.1
96.08098	0.9
97.01088	1.0
97.06511	2.1
98.09695	11.4
99.05634	0.9
99.08092	4.9
102.05558	4.9
105.07028	2.3
107.08584	2.2
110.09654	1.5
112.03943	3.9
113.04240	5.4
115.05784	1.9
116.01682	19.2
121.06499	2.0
121.10151	1.6
122.09668	1.3
127.05762	1.1
129.06554	3.4
129.07428	1.1
130.05019	7.6
130.06879	4.9
130.08636	1.8
131.08566	10.6
134.76025	0.6
139.05772	2.2
142.03247	2.3
142.04999	0.7
143.02719	0.7
144.01154	6.8
145.06017	1.5
145.10092	2.5
149.09634	4.0
156.08418	17.3
156.10191	10.3
157.06833	7.9
162.02209	20.1
163.03842	1.2
163.11177	1.1
169.78133	0.7
174.09474	11.1
179.04854	8.4
187.05499	1.2
189.03232	0.8
191.10703	3.4
209.11726	17.6
210.11243	2.2
213.10516	0.7
215.04848	1.4
216.06909	5.7
233.05893	2.0
242.08459	0.7
259.11118	100.0
259.49280	0.7
260.09375	1.1
277.12265	1.8
285.12662	2.0
308.09415	0.8
313.11945	3.4
331.13150	5.1
388.15292	2.3
406.16385	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	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
57.07064	2.0
61.02924	2.1
61.47281	1.2
67.05515	7.5
67.44399	1.1
69.03416	3.4
69.07030	2.0
70.66062	3.7
71.04996	6.4
76.02199	1.5
79.05495	6.3
81.03431	1.7
81.07043	3.2
83.04960	2.4
85.02913	11.0
85.06546	52.0
91.05480	5.2
93.07057	7.4
97.02892	2.9
97.06519	1.9
98.20905	1.3
99.08115	2.4
105.07008	5.0
107.04950	3.7
107.08586	8.0
109.06501	3.3
111.04436	5.5
116.01742	1.5
117.06989	1.5
119.08564	7.5
121.06491	6.2
121.10162	6.0
125.06001	2.3
127.03865	1.7
129.06966	2.3
130.04906	1.5
131.08560	30.4
134.07700	1.2
135.62376	1.0
137.09634	3.5
145.10123	12.7
147.08035	1.6
147.11778	1.2
149.09625	26.4
155.06989	2.3
155.08540	1.1
156.08473	1.3
163.11211	11.4
165.09155	5.8
167.10690	17.6
173.09642	3.1
185.74771	1.2
191.10678	34.2
197.11801	1.4
209.11734	44.2
227.12784	100.0
229.48511	1.3
259.11252	7.6
310.38651	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3728
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05496	5.0
57.07086	9.8
67.05496	1.5
69.03439	1.4
69.07072	9.1
69.32341	2.7
69.32757	6.9
71.08631	5.3
81.07037	2.9
83.01350	9.1
83.04973	1.3
83.08601	5.2
85.10168	2.1
93.07054	2.2
95.08592	2.5
97.06490	1.7
97.10152	3.0
97.76006	1.1
97.95654	1.0
103.80710	1.0
107.08596	3.4
109.10135	1.3
111.08054	3.2
111.11762	2.0
121.10156	2.5
123.08053	2.6
125.06021	5.1
125.09602	3.9
127.07557	2.7
137.09572	1.7
139.07538	19.8
139.11133	2.5
151.11137	3.0
153.09108	4.7
153.12762	3.3
159.11697	1.4
167.10678	6.3
167.14301	1.2
181.12244	10.2
195.13831	8.3
205.42526	1.3
209.15427	6.1
223.16971	2.6
232.07201	1.0
237.18553	2.3
251.20001	2.1
258.44211	1.3
265.21713	1.4
279.23181	1.4
293.24902	1.2
349.31128	1.7
369.35602	1.3
405.37274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55991	0.9
52.37786	0.8
55.01899	0.8
57.25430	0.8
65.03945	1.3
69.03428	2.9
71.23782	1.8
79.05498	4.0
85.02909	7.5
89.03930	1.0
89.91967	0.8
91.05490	18.4
93.03362	1.1
97.02875	2.3
107.04965	6.0
109.02897	1.1
117.03416	1.3
119.04951	12.6
135.04427	12.9
145.02870	8.8
145.04956	1.9
147.04414	8.2
153.05460	1.0
163.03914	43.0
173.02351	4.3
175.00920	0.8
180.08649	1.7
181.04929	1.7
191.03400	47.0
209.04460	100.0
227.05482	9.9
285.42255	0.9
286.18365	0.8
406.10919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01869	0.4
57.03424	0.4
60.55502	0.2
67.05476	0.4
67.92234	0.2
69.03435	2.7
69.07069	0.3
70.06575	0.2
71.04983	0.3
71.53906	0.4
73.02894	0.7
73.65881	0.2
79.05494	0.3
81.03419	1.2
81.07034	0.4
85.02909	4.8
87.04462	0.8
91.05460	0.4
97.02895	1.7
97.06526	0.6
98.97548	0.3
99.04435	0.4
106.06541	0.4
109.02856	0.8
115.05443	0.3
120.26730	0.2
123.04439	0.7
127.03901	1.0
128.06224	0.3
129.06989	0.4
134.06052	0.4
136.07568	0.6
143.08572	0.6
145.02864	0.3
145.04970	0.5
145.10056	0.4
153.06982	1.2
154.07697	0.3
155.07355	0.5
155.08554	1.5
157.06433	0.3
160.11197	0.3
161.05992	0.5
163.03853	0.4
165.06900	0.4
168.05640	0.4
168.07961	0.3
170.09624	1.7
171.08047	0.6
173.05890	0.3
176.06998	1.1
177.00768	0.3
177.05475	0.6
180.08084	0.8
181.06499	1.0
183.06709	0.5
183.08078	0.7
184.05214	0.3
184.07555	0.4
187.07542	0.4
188.10721	0.7
198.09138	3.1
199.07594	1.2
199.09810	0.2
201.07759	0.6
202.08543	0.4
211.06192	0.3
214.05017	0.8
214.08455	0.3
215.09454	0.3
216.10202	2.0
226.08653	2.7
227.07147	0.4
228.10176	0.3
229.07387	1.1
243.08965	0.4
244.09698	100.0
245.09988	0.7
259.09628	0.5
260.09879	0.4
286.10715	0.5
406.15097	4.3
406.31754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.4
56.96558	1.8
57.03416	0.7
58.74948	0.6
67.05493	1.6
69.03413	1.2
69.07052	1.7
71.04980	1.1
79.05479	2.8
81.07056	1.5
82.53008	0.6
83.04977	2.3
83.08617	0.9
85.02895	1.9
85.29841	0.5
91.05488	1.2
93.07043	1.4
95.04963	1.0
95.08613	1.4
96.50196	0.6
97.02915	0.7
97.06524	6.9
98.20695	1.1
98.97588	3.4
105.07059	1.2
107.08585	1.7
109.02934	0.8
109.06529	0.7
110.97572	1.9
111.04439	1.8
112.41325	0.6
116.98612	1.9
119.08596	1.8
121.10086	0.6
128.98576	1.4
129.07068	0.9
133.03561	0.8
133.10135	0.8
135.04427	0.8
135.07959	0.7
145.10098	1.1
146.03592	0.6
146.99654	0.9
152.83971	0.7
159.11667	1.2
160.05199	0.8
161.05983	3.0
161.13245	0.7
163.03906	7.5
167.08620	0.7
169.03583	1.0
169.10156	0.7
170.03636	2.3
170.99724	0.9
171.08057	0.6
171.11580	0.6
173.02399	1.4
173.13167	0.6
175.03917	0.9
175.07634	0.8
176.04401	0.9
177.05489	0.8
183.11623	0.8
185.13191	0.8
187.04489	1.6
187.07567	0.6
188.04715	2.5
189.00711	1.8
189.04062	0.9
189.05565	1.3
189.09082	3.0
195.08131	0.7
200.00934	0.9
208.06808	0.7
213.09128	0.8
215.07007	4.2
217.08690	1.3
217.42126	0.8
229.27441	0.7
231.10179	1.3
243.03586	0.9
244.03725	2.0
255.09085	0.8
259.09665	8.2
261.04449	1.5
262.04752	3.8
283.08569	0.7
285.06375	1.5
304.05704	3.1
305.01703	2.6
305.05081	0.8
322.06882	1.9
323.02835	3.3
331.17780	0.7
346.04288	1.2
347.15268	0.8
369.13330	0.8
374.00888	0.9
405.22455	100.0
406.22812	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01867	3.2
55.05500	12.4
56.96558	4.6
57.03422	9.1
58.99560	3.7
61.02923	7.3
65.03928	5.5
67.05515	15.8
69.03435	27.0
69.07069	5.5
70.06593	3.6
71.04975	8.8
71.50825	5.6
73.02866	2.6
79.05484	17.4
80.03538	3.0
81.03422	33.8
81.07080	20.9
83.04974	14.6
84.04477	6.5
85.02908	47.5
85.06550	7.2
86.09710	4.2
87.04472	5.4
91.05486	32.1
91.81794	2.6
93.03415	4.1
93.07043	18.6
95.04991	25.3
95.08620	20.2
97.02888	20.4
97.06519	7.0
98.97581	9.9
99.00806	12.7
99.04476	14.7
99.08089	11.3
101.06004	8.7
103.05456	3.3
105.07041	21.9
107.04943	7.3
107.08606	21.0
109.02887	8.4
109.06523	13.4
109.10171	9.7
110.97594	3.1
111.04459	3.2
111.08099	4.5
115.05505	2.5
116.01660	5.1
116.98608	3.7
119.04940	28.3
119.08591	27.2
120.05276	4.9
121.02834	14.1
121.06491	7.7
121.10145	25.5
123.04430	17.3
123.08062	34.7
123.11668	5.9
123.21651	2.9
125.05976	8.0
125.09669	18.8
127.03889	8.6
128.98677	4.3
131.03410	18.6
131.08556	6.8
133.04924	2.7
133.06477	3.3
133.10107	12.2
135.04408	3.9
135.08064	29.2
135.11703	10.0
136.91229	3.5
137.06038	17.7
137.09616	22.0
139.03922	18.5
139.07538	3.0
143.08575	4.5
145.05019	4.6
145.10158	7.5
147.04417	43.6
147.08040	8.7
147.11673	17.6
148.04721	7.6
149.02310	13.6
149.05986	5.1
149.09641	30.7
151.07523	11.8
153.05457	5.2
153.09103	4.8
155.10622	3.4
156.08324	3.9
156.10262	2.9
158.99655	4.7
159.11661	4.4
161.09575	4.6
161.13226	22.4
163.11168	11.8
164.07045	2.8
165.05533	17.2
165.09116	16.1
165.12732	9.7
167.03458	5.8
167.07043	4.0
167.10663	11.2
169.08615	4.3
171.11617	5.5
175.03912	46.9
176.04195	6.6
177.00734	2.9
177.05453	4.3
177.12775	14.5
179.06998	12.9
179.14273	5.1
181.04988	26.5
182.08109	4.2
189.05420	5.9
189.12749	32.9
193.04976	32.4
195.13844	17.0
197.08000	4.6
203.07428	6.5
207.06503	23.8
207.13811	100.0
208.06876	7.1
211.05984	5.3
219.01733	3.9
221.07883	3.5
225.07617	22.5
225.14871	83.0
226.07916	8.1
227.12749	2.9
229.54610	3.0
229.56818	3.1
237.02930	5.3
243.08740	16.6
243.15933	11.5
259.11179	15.8
293.08920	5.0
294.09241	3.2
307.12183	2.8
365.05573	4.1
405.11795	11.3
405.15747	13.0
405.20975	5.0
407.12317	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	405.2122
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
50.65882	1.8
57.03432	3.3
58.99576	2.7
69.03426	3.9
69.07040	2.7
69.61748	13.9
71.04977	4.2
72.08153	3.2
75.57640	2.6
76.02202	2.3
79.05508	3.2
81.07050	8.2
83.04983	4.4
84.04498	2.3
85.02911	5.8
91.05533	5.1
93.07040	10.2
94.12567	2.3
94.56556	1.9
95.04968	8.1
95.08597	4.2
97.02871	2.6
97.06522	3.0
98.09653	2.4
98.20766	4.1
99.04463	6.8
102.09181	7.5
105.07040	15.4
107.08588	14.0
109.06513	3.1
109.10148	4.6
119.08601	19.5
121.10143	13.3
123.08093	10.9
125.09622	2.9
131.08548	10.4
133.10094	10.3
135.11682	2.4
137.09607	3.9
143.08640	2.1
145.10141	15.3
147.04449	2.8
147.11621	4.5
149.09621	22.6
151.11194	4.6
152.48111	2.3
156.08353	3.0
159.11690	25.6
161.13257	7.7
162.02196	3.3
163.11200	9.5
167.10686	31.3
169.12286	3.8
171.11725	3.6
177.12741	15.1
181.12163	4.7
182.08160	8.4
188.07385	2.2
189.12738	5.1
195.13812	2.7
197.43211	2.0
207.13780	36.4
209.11748	5.0
210.56664	2.3
213.14839	5.3
225.14845	40.3
243.15927	100.0
259.11151	15.7
264.14423	3.6
405.16232	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	405.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51254	0.7
52.21149	0.7
53.03941	1.7
55.01855	2.5
55.05499	0.8
56.96560	1.1
57.03434	8.0
59.04992	1.2
61.02932	3.6
67.05502	1.0
68.99809	1.0
69.03432	13.9
69.33123	3.7
69.33541	2.2
70.06591	0.9
71.01345	0.8
71.04986	2.8
73.02909	2.9
75.04493	1.6
79.05490	0.8
81.03423	10.8
81.98886	0.7
83.04972	1.5
85.02910	52.0
86.09703	1.7
87.04470	2.7
90.23055	0.7
91.03951	2.2
91.05482	2.1
93.83141	0.8
95.04951	1.8
95.08641	0.8
97.02907	16.2
98.03706	0.8
98.21117	3.5
98.97604	1.1
99.00799	1.0
99.04462	5.6
103.03922	3.2
107.04976	0.9
109.02890	19.9
111.00799	2.9
111.04450	1.1
115.80912	0.7
117.05489	2.0
119.04935	3.6
121.02869	1.6
123.04426	2.1
126.03136	8.1
127.03934	15.1
129.05399	0.8
131.03406	2.1
135.04448	0.9
137.05992	2.2
137.09621	0.8
139.03943	1.2
141.05472	37.2
145.04964	15.2
147.04440	3.2
148.04764	0.7
148.34422	0.7
149.02310	1.0
154.02602	1.4
163.06021	1.7
165.05482	1.2
167.03441	0.9
169.04974	100.0
175.03882	3.8
177.01025	0.9
179.06998	0.8
181.04915	1.0
183.06673	0.8
189.05472	1.5
193.04999	2.2
201.07626	1.0
203.07649	1.1
207.06519	2.5
207.13736	1.4
208.07002	1.2
211.06033	4.0
225.07610	2.1
225.14865	1.1
243.08728	3.9
243.16054	1.2
273.02133	0.7
360.19809	0.9
405.07697	1.7
405.14368	1.5
405.21841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	3.6
53.03941	3.7
55.01865	4.1
55.05496	3.1
55.51782	2.1
61.02915	3.4
65.03934	11.2
67.05521	13.8
67.49778	2.2
69.03436	21.5
69.07062	2.2
71.01331	5.0
71.04437	5.7
71.05003	2.5
72.02280	2.0
78.29115	2.6
79.05462	8.1
81.03418	14.4
81.07029	6.1
83.01311	3.4
83.04972	4.7
85.02431	3.0
85.02910	32.6
91.05486	48.5
93.03413	16.3
93.07042	4.9
95.01302	6.1
95.04971	38.3
95.08609	2.7
97.02895	20.7
97.06503	3.8
99.00815	31.7
99.04439	3.3
99.59026	2.1
100.10025	1.8
101.06030	3.6
103.03960	5.0
103.05447	5.2
105.07017	4.6
107.04946	6.5
107.08578	4.2
109.02863	4.0
109.06494	9.7
111.04424	4.5
117.06967	2.2
119.04131	2.8
119.04948	46.2
119.08588	3.1
121.02865	50.3
121.06474	6.0
121.10107	5.2
123.04434	31.9
123.08040	7.8
125.02322	6.0
125.09644	2.8
127.03916	5.0
131.03404	46.4
131.04884	3.3
135.04404	9.1
135.08046	4.7
135.11703	3.5
137.06001	25.1
139.03911	26.8
144.22604	2.2
145.04964	4.5
147.04422	81.0
149.02356	34.0
149.05948	8.5
149.09581	6.8
151.07516	3.8
153.05505	9.9
161.13277	4.7
163.03889	6.8
163.11223	3.0
165.05495	25.2
165.09134	2.7
165.12637	2.8
167.03363	13.1
175.03914	100.0
176.04239	4.1
177.05432	5.8
179.07062	20.5
181.04967	62.3
189.05469	9.7
189.12723	7.6
193.03308	4.2
193.04977	59.4
197.08086	15.9
207.06540	37.2
207.13768	17.1
208.06836	5.7
211.05981	8.3
225.05824	1.9
225.07562	49.6
225.14804	17.8
226.07730	3.0
243.06296	3.0
243.08672	38.0
243.16174	2.3
341.06213	2.1
373.09189	4.3
405.11725	73.6
405.20370	2.7
406.30444	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1182
Annotation	Apuleirin
Peak:m/z	Relative Intensity
55.05515	0.7
56.96562	0.9
57.03436	0.7
57.39784	0.4
61.02929	0.4
67.01850	0.4
67.05495	0.9
69.03426	0.9
69.07062	0.8
69.21481	3.9
77.41313	0.4
79.05478	1.3
81.03419	0.5
81.07053	1.3
83.04961	0.5
84.83585	0.4
85.02934	0.9
91.05482	0.8
93.07048	0.9
95.08607	0.7
97.02896	0.7
97.06527	2.4
98.97587	0.4
105.07001	0.7
105.43353	0.4
106.07394	0.4
107.08620	0.5
108.02119	0.5
109.10178	0.5
115.03954	0.4
136.01587	0.6
137.02347	0.6
143.20503	0.4
153.01837	1.4
154.02615	0.5
163.03908	1.3
175.03931	0.5
178.06232	0.6
179.03435	0.5
183.02870	0.6
193.04964	2.6
194.05792	1.1
197.04500	1.5
199.02438	1.3
208.07324	2.7
209.08165	1.0
211.06093	0.6
215.07111	0.7
221.04404	0.4
233.04407	0.9
243.87323	0.4
247.06064	1.6
248.06795	2.8
254.05959	0.4
255.06564	0.6
255.09100	0.6
258.05243	0.5
259.09659	2.2
268.03687	2.7
269.10535	0.9
273.07440	0.7
283.05945	0.7
283.08704	0.5
285.09830	0.8
286.04767	1.4
287.09109	1.5
296.03162	4.3
301.06879	2.4
301.54184	0.5
304.05771	5.9
310.04413	0.5
313.03427	0.6
314.04263	4.9
315.08652	1.8
316.09317	0.5
319.08215	0.5
324.02710	1.7
326.04050	0.5
328.05615	0.9
329.06516	11.4
332.05261	3.1
342.03738	2.9
343.08112	5.3
344.08902	10.6
344.12793	0.8
347.07593	9.1
348.15363	0.6
352.25616	0.5
357.06049	22.2
359.07687	1.6
360.04843	0.8
361.09262	1.0
363.15100	0.5
372.08392	15.2
373.09348	0.6
373.13812	0.9
375.07117	14.5
389.08658	1.4
390.09427	5.8
404.32370	0.4
405.11798	100.0
406.12042	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05471	3.6
53.03956	9.2
55.01865	7.7
55.05510	34.0
56.96564	14.3
57.03432	15.1
57.07067	7.9
61.02929	6.2
67.05508	73.3
69.03448	8.7
69.07069	32.7
69.38598	28.7
71.04993	14.2
71.08628	20.9
73.02893	4.3
76.40979	3.8
79.05494	58.5
81.03403	17.9
81.07059	81.5
83.04989	17.3
83.08620	13.6
84.50911	3.3
85.02901	11.4
85.10172	15.3
91.05479	53.6
93.07044	61.0
94.07324	3.5
95.04984	22.9
95.08607	65.3
97.02914	6.3
97.06534	21.4
97.10194	12.4
98.97593	5.3
99.08107	19.2
103.03951	4.0
105.07063	24.3
105.22813	3.4
107.04963	7.5
107.08606	37.0
109.06567	5.0
109.10177	19.9
111.08091	5.2
113.09653	33.0
115.05425	4.5
117.07030	10.3
119.04957	19.1
119.08603	27.6
121.10144	45.2
123.08067	9.3
123.11680	7.3
125.09642	9.0
129.07014	9.0
131.08598	15.0
133.10123	17.1
133.78085	3.2
135.11702	10.5
137.09618	7.5
137.13214	5.1
139.11198	24.4
139.12187	4.3
141.12794	10.5
145.10158	16.0
147.04378	18.3
147.11668	25.9
149.09633	17.3
149.13266	9.6
151.11166	11.7
157.10129	8.1
157.12242	6.0
159.11739	8.9
161.13297	14.4
163.11182	12.8
165.12773	33.3
167.10649	7.9
171.11571	7.5
175.03966	30.4
175.14793	8.9
177.12766	4.6
179.14337	4.7
181.12392	4.3
183.13821	8.2
185.11781	4.9
185.13272	6.0
189.11186	7.4
193.04922	5.4
193.12280	15.0
203.12755	5.9
207.06558	38.7
217.62030	3.8
231.21017	4.6
241.14392	15.7
241.19620	4.9
259.15472	14.6
259.20557	19.7
267.15903	6.0
277.21628	100.0
291.43729	4.0
295.22659	49.0
309.16858	3.6
351.25400	16.4
369.26416	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	404.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	0.9
56.96566	11.9
61.02891	0.6
67.05489	0.9
71.95281	3.2
77.97843	0.6
79.05492	1.1
81.03400	0.7
81.07071	0.9
85.02900	1.1
91.05481	1.7
94.04173	1.5
96.98407	0.8
98.97580	99.7
108.15111	0.6
116.98616	48.7
119.04929	1.2
122.03661	4.1
134.99672	15.0
137.05974	43.2
140.00183	6.9
147.04395	2.4
148.51224	0.6
153.00711	1.2
158.01215	2.9
160.99110	1.3
166.88759	0.7
175.03873	3.4
179.00172	2.3
188.07596	0.6
193.01720	0.7
197.01196	1.7
198.02086	0.8
207.06586	3.1
208.10190	0.8
211.02797	0.9
220.00389	3.3
224.09512	2.1
225.07571	0.8
226.11134	21.3
226.13367	1.3
227.05885	0.7
235.02768	70.9
236.03088	0.8
238.01453	2.2
242.10443	1.1
244.12225	6.2
249.12773	1.2
253.03831	80.3
254.04187	1.2
267.13763	1.4
268.12201	4.9
271.04922	2.1
276.05453	15.6
280.12094	1.9
305.80548	0.6
329.12952	1.2
344.15341	7.3
362.16446	1.7
404.17429	100.0
405.17816	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08630	1.1
55.01872	1.7
61.02923	2.5
65.03936	1.3
67.05510	10.6
69.03427	4.0
71.01340	2.4
71.06490	2.1
79.05478	6.1
81.07053	1.6
84.90179	1.1
85.02909	18.6
91.05482	45.7
95.04967	20.9
97.02886	4.4
99.00822	3.7
99.04408	1.2
103.03941	3.1
103.05479	1.3
104.28381	1.2
105.03392	4.0
107.04955	1.7
109.02871	2.7
109.06506	1.8
118.04119	1.1
119.04944	71.2
121.06465	1.2
123.04420	14.7
125.44551	1.1
127.03896	2.6
129.03377	4.2
131.03389	5.0
133.06491	5.3
135.04434	1.6
137.05995	2.2
145.02850	1.6
145.04962	4.4
147.04413	100.0
149.05984	3.5
158.99805	1.1
161.05994	7.8
165.05472	7.5
175.03911	61.9
177.05447	2.5
179.07013	8.9
189.05470	59.8
193.04976	27.2
193.06726	1.5
207.06532	69.3
225.07573	56.1
275.44638	1.1
302.85416	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
57.03439	1.6
61.02935	2.4
62.03531	1.2
62.64331	1.4
62.70899	1.3
65.03941	2.2
67.05516	8.6
69.03437	3.8
70.83130	1.2
70.83484	3.1
79.05492	5.7
81.07029	1.4
85.02915	19.3
91.05490	49.0
95.04974	16.9
97.02925	7.6
99.00823	2.3
105.03386	1.7
107.04897	1.4
109.02863	1.9
119.04949	72.1
119.31271	1.3
121.06423	2.1
123.04442	14.9
127.03937	2.7
129.03369	6.4
131.03391	3.5
131.04955	2.4
133.06502	3.9
137.05984	2.3
145.02856	2.5
145.04951	4.8
147.04417	100.0
149.05991	5.0
161.06036	9.2
165.05481	7.2
175.03922	58.9
177.05423	2.7
179.07018	11.2
189.05476	55.8
193.04962	25.1
200.31493	1.2
207.06544	61.8
225.07588	60.8
225.09860	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01871	1.7
55.05518	15.6
57.03443	8.6
57.07080	44.3
61.02935	11.0
63.33109	0.9
65.03931	1.0
65.60077	0.9
67.05508	15.8
69.03435	100.0
69.07066	8.7
69.54661	1.8
69.55083	4.3
71.04988	7.0
71.08636	31.4
73.02921	2.4
79.05507	1.4
81.03422	9.2
81.07063	20.9
83.04989	39.8
83.08624	11.8
85.02443	1.5
85.02912	22.2
85.10195	17.3
87.04477	5.4
88.07624	1.1
91.03963	2.1
93.03372	1.3
93.07029	1.3
95.08615	27.2
95.45812	0.9
97.10188	7.0
99.04462	20.8
101.06042	1.9
103.03940	3.7
109.10159	11.5
111.03723	1.6
111.04453	24.4
111.05217	1.2
111.11733	1.3
117.05473	1.2
122.76916	0.9
123.11735	5.6
125.13281	0.9
129.01782	1.5
129.05490	94.4
137.13263	2.7
147.06529	21.3
165.07579	8.9
165.16399	1.1
221.22658	1.3
239.23724	13.5
257.24747	2.2
315.11069	0.9
327.79642	0.9
345.61093	0.8
385.29507	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	403.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78291	4.9
55.05507	12.7
55.90438	5.8
56.91397	5.3
56.96570	11.1
57.03436	8.6
61.02903	7.1
64.47714	5.6
67.05494	11.7
69.03423	28.3
69.07076	9.4
70.06592	16.7
71.04978	8.3
71.53371	5.7
72.08161	67.8
79.05492	12.1
81.03405	16.4
81.07049	14.1
83.04958	16.3
84.08119	5.9
85.02911	50.4
86.09710	53.0
91.05479	21.8
93.07047	21.1
95.04961	10.3
95.08585	14.7
97.02879	23.6
97.06527	8.4
98.97585	18.4
103.98283	5.3
105.07024	19.3
107.04947	10.7
107.08589	15.2
109.02864	8.2
109.06518	29.0
109.10188	7.3
113.06025	7.1
116.98650	8.8
119.04923	9.8
119.08581	13.5
121.06522	32.7
123.08060	15.6
125.09589	6.5
127.03950	14.1
129.01804	14.2
129.87370	5.9
133.10094	14.2
135.08025	15.3
135.11725	6.8
137.06027	7.3
137.09631	14.6
139.00316	5.6
144.09492	6.4
147.04367	15.3
147.08069	8.2
149.05945	15.3
149.09639	26.0
151.11214	13.1
153.09108	20.7
158.99719	6.6
159.11626	12.1
161.09634	12.1
163.03923	5.5
163.11157	11.8
167.06995	10.7
175.03929	15.1
175.11107	22.5
177.00696	7.9
177.12743	12.6
179.10677	19.8
187.11159	10.7
193.12288	69.5
201.12366	16.6
205.12187	30.3
207.03407	5.6
207.06543	15.8
209.38216	6.0
223.13275	63.4
229.11710	13.6
233.15216	5.5
241.09836	5.2
241.14301	13.5
322.08057	12.4
403.15399	100.0
403.19629	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	403.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
55.01847	5.3
55.05503	7.3
56.96564	7.3
57.03429	8.6
67.05499	10.4
69.03448	28.9
69.07067	8.8
70.06574	7.9
71.04979	8.0
72.08161	68.0
72.34504	4.9
79.05492	16.3
81.03426	7.8
83.04992	23.7
84.04478	4.7
85.02904	46.0
85.06529	7.4
86.09714	69.5
87.05544	4.6
87.10032	5.7
87.67483	4.8
91.05486	41.6
93.07043	43.8
95.04958	14.6
95.08607	15.4
97.02894	27.6
98.97591	18.8
99.04433	9.0
103.95184	5.4
105.07035	15.6
106.94992	4.8
107.04936	5.1
107.08597	25.3
109.02886	13.8
109.06564	7.6
109.10094	5.5
111.08050	5.7
116.07104	10.3
116.89919	4.9
116.98632	6.3
117.07001	14.6
119.04937	13.2
119.08578	46.1
121.06512	68.2
121.10142	11.5
123.04427	7.3
123.08055	11.2
127.03963	9.1
128.98621	6.8
129.01843	9.2
129.10205	5.9
131.08574	15.7
135.04436	6.4
135.08078	26.3
135.11687	14.1
137.05998	9.2
137.09621	18.0
139.03906	7.3
143.11815	9.2
144.09430	5.3
145.04890	7.8
145.10115	14.3
147.04442	16.9
147.08043	8.5
149.09569	7.5
151.07553	10.5
153.09087	10.6
157.10051	5.8
159.11708	57.3
161.09619	6.8
163.11171	20.2
165.09027	8.1
168.24173	5.8
175.03915	17.5
177.12720	28.1
179.10730	5.4
181.04999	8.5
187.11140	17.9
189.05559	5.5
195.06503	5.1
205.12253	100.0
207.06544	16.1
215.01508	4.8
219.01808	10.4
223.13269	47.2
224.07469	4.9
225.07631	9.6
241.10245	7.7
241.14290	7.0
247.12994	6.7
270.18103	6.5
403.15305	63.2
403.19650	17.2
414.91470	5.8
423.51245	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	403.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34583	2.4
69.35001	0.9
70.06604	0.5
72.08156	0.6
72.33286	0.4
79.05508	0.4
81.03454	0.6
84.08147	0.7
85.02891	0.6
86.09710	0.8
98.97593	0.5
180.98288	0.4
181.04887	0.4
207.06624	0.5
210.06349	0.4
215.40411	0.4
223.13365	0.5
236.34001	0.4
260.63406	0.4
289.11188	0.4
335.09229	0.5
371.11292	0.5
403.15759	100.0
404.16034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
55.81976	0.3
56.96557	1.0
57.07079	6.3
57.81213	0.3
58.06604	1.9
64.01812	0.3
65.18999	0.3
67.05503	0.6
69.07056	0.7
70.06597	15.6
71.04993	0.5
71.08638	2.9
72.08145	0.6
79.05502	0.6
81.07057	1.1
85.10188	1.0
88.07634	19.1
91.05494	0.6
93.07027	0.6
95.08612	1.6
98.20741	0.7
99.02348	0.3
101.00950	0.4
102.09187	11.5
105.07014	0.7
107.08601	0.8
109.10149	0.7
119.01920	0.8
119.08576	0.5
121.10146	0.8
129.01881	0.4
131.08530	0.3
132.10202	0.7
133.10155	0.6
134.21921	0.3
137.84601	0.3
146.11792	0.9
149.02357	0.5
150.11284	1.1
201.52725	0.3
207.52061	0.3
229.39290	0.3
249.02463	1.1
253.07526	0.9
267.03464	1.5
276.00494	0.3
296.33170	0.8
297.06427	0.5
340.35748	39.8
341.36087	0.7
361.14972	0.7
378.61832	0.4
379.15799	0.4
384.38412	2.8
402.39420	100.0
403.39810	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	30.7
56.57207	9.1
57.03432	37.7
64.00278	9.2
67.05505	100.0
69.03439	11.4
69.07070	60.3
70.78725	11.5
70.79073	19.6
71.04994	12.1
79.05493	79.4
81.07064	92.2
83.04963	14.3
83.08611	26.4
83.99811	8.1
91.05470	62.8
93.07040	97.2
95.04986	11.2
95.08628	55.1
97.06530	27.1
97.10169	23.8
105.07027	67.0
107.08602	59.6
109.10154	18.8
111.08066	15.5
117.07029	18.0
119.08598	47.3
121.10186	32.3
122.96465	9.3
125.09621	21.1
129.07018	17.8
131.08572	29.5
133.10139	37.6
135.11681	24.4
143.08569	9.9
145.10117	21.5
147.11673	28.6
149.09618	20.3
158.99640	9.3
159.11644	43.7
163.11147	10.4
171.10272	13.0
173.13248	8.6
177.12816	11.6
184.52455	9.3
189.11214	20.2
195.13889	12.2
227.12743	15.1
239.17767	10.4
255.15988	46.2
257.18967	23.1
269.17450	62.7
275.20099	79.6
286.20016	16.7
295.64328	9.7
299.50800	10.2
349.23712	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03584	7.2
55.05505	25.6
57.03444	24.0
62.12185	6.7
67.05509	73.7
69.07079	36.2
69.86000	18.0
69.86417	24.5
70.34508	7.7
71.04930	8.2
71.69769	7.3
76.53130	7.3
79.05492	54.7
81.03415	13.9
81.07066	86.3
83.04975	18.1
83.08614	20.2
91.05482	35.3
93.07055	79.3
95.05014	9.0
95.08592	37.0
97.06512	14.5
105.07018	26.0
107.08579	47.5
109.06487	9.4
109.10120	18.7
117.07001	22.1
117.40946	8.3
119.08566	32.5
121.10143	26.8
131.08554	20.5
133.10094	26.7
135.11671	33.6
145.10115	15.3
147.11682	14.3
149.09642	15.5
149.13217	21.1
159.11656	25.1
163.11221	9.6
173.13295	8.7
177.12764	16.8
179.14380	10.0
195.13719	12.2
226.55806	8.4
255.15923	100.0
257.19034	12.7
269.17484	92.2
275.20023	45.6
301.49924	8.0
349.23859	37.2
367.24579	9.6
411.77332	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	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.4
54.49328	6.0
55.01862	10.4
55.05493	28.9
56.96553	11.8
57.03426	26.7
67.05499	85.8
69.07063	41.6
69.30791	60.7
71.04644	6.4
71.04974	34.3
71.36068	7.9
73.02904	7.4
79.05494	80.0
81.03414	29.8
81.07055	96.3
83.04975	13.7
83.08602	21.1
85.06527	8.2
91.05486	75.4
93.07044	67.3
95.04956	20.0
95.08606	73.2
97.02840	7.6
97.06512	25.1
100.30647	6.2
105.07034	80.4
107.04977	13.4
107.08617	41.4
109.06510	74.5
109.10146	33.9
111.08043	9.8
117.07012	29.2
117.40753	7.9
119.01910	14.3
119.08580	76.2
121.06484	16.1
121.10134	26.8
123.08080	41.3
129.07008	19.8
131.08559	46.8
133.06490	7.1
133.10112	37.7
135.08064	18.6
135.11691	14.0
137.09631	14.5
143.08548	25.0
145.03465	11.0
145.10095	35.5
147.11653	32.0
149.09625	13.3
149.13269	11.5
157.10120	12.1
158.58850	6.8
159.11710	37.1
161.13243	28.1
163.11177	9.7
169.03487	12.9
171.11662	21.5
173.13251	13.6
175.00803	10.1
177.12735	12.9
179.14359	9.4
185.02988	8.5
185.13274	23.3
187.04515	16.3
187.14806	19.8
189.12717	26.6
191.14272	12.2
193.12190	6.8
197.13161	11.5
201.16521	10.9
203.14404	12.2
205.15897	15.2
207.13780	13.1
221.15860	6.8
229.07539	15.3
229.14394	15.8
233.15355	23.4
239.17949	9.8
247.08427	10.6
247.20778	7.2
257.18942	19.3
275.20056	100.0
281.17484	8.6
296.10202	19.0
299.18506	16.0
301.04123	15.6
316.11694	28.7
316.61636	7.4
319.05142	11.9
325.12231	8.4
349.23669	31.6
379.07080	12.2
402.32037	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
55.05512	21.7
57.03436	4.0
57.07061	10.2
67.05508	27.5
69.07072	31.3
69.27988	18.7
69.28410	8.4
71.04986	21.4
71.08636	5.3
79.05502	20.0
81.07065	48.6
83.08630	15.7
85.06534	6.7
91.05482	44.5
93.07045	49.7
95.04944	8.2
95.08605	36.2
97.10174	11.8
98.20774	6.0
99.08069	3.3
105.07034	87.7
107.08594	36.4
109.06523	52.7
109.10145	22.4
111.08066	6.9
111.11723	9.3
115.05459	4.4
116.87147	2.6
117.07022	23.7
119.08591	86.5
121.10143	22.4
123.08071	6.1
123.11701	7.3
128.06206	12.1
129.07021	16.0
130.07784	9.9
131.08577	60.5
132.09341	2.8
133.10138	76.5
135.08064	17.1
135.11687	21.4
137.09648	5.6
141.07001	10.6
142.07793	23.2
143.08563	42.5
144.09328	9.9
145.10126	100.0
147.08035	8.2
147.11682	16.4
149.09622	3.8
153.06990	4.5
154.07832	3.2
155.08524	22.9
156.09357	12.6
157.10127	54.5
158.10915	10.0
159.11687	37.1
161.09628	4.2
161.13229	6.9
165.06984	8.8
167.08536	8.5
168.09293	6.8
169.10127	20.3
170.10909	8.1
171.11688	27.8
172.12416	5.5
173.09624	3.3
173.13264	45.5
175.14825	14.9
179.08571	12.3
180.09370	4.2
181.10138	17.2
182.10942	9.2
183.11703	23.5
185.13264	15.5
187.14795	46.8
189.12846	4.4
193.10094	8.2
194.10944	7.3
195.11674	21.2
196.12569	6.7
197.13272	17.8
199.14853	22.2
201.12827	6.8
201.16400	4.0
206.10864	8.7
207.11774	13.1
208.12474	4.8
209.13254	23.9
211.14867	10.6
213.12767	3.4
213.16330	4.0
221.13264	17.2
223.14799	11.2
225.16354	3.6
227.14255	3.8
233.13176	4.8
235.14803	6.9
237.16428	6.9
238.17505	3.6
246.14070	3.7
247.14795	4.8
249.16319	3.3
251.17924	5.2
252.18417	4.4
265.19427	5.6
273.25629	3.0
277.19476	4.5
287.18048	3.5
291.26770	7.7
309.27841	6.0
317.22617	3.3
327.29004	8.7
343.24054	3.3
383.31680	20.5
401.28110	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	401.1598
Annotation	Gomisin R
Peak:m/z	Relative Intensity
50.56387	1.5
53.03935	2.7
57.03439	2.3
69.03420	6.2
70.03783	1.9
70.06587	3.3
70.09507	2.9
70.09908	4.7
72.08157	3.5
79.05495	9.8
81.03423	2.3
81.07040	2.7
85.02895	5.6
86.09702	5.6
87.04477	2.0
91.05479	4.7
93.07057	2.0
95.04990	1.9
95.08650	1.8
97.02888	2.4
98.97606	3.1
99.04471	1.6
103.05509	1.8
105.07027	1.8
106.04218	2.1
107.04955	25.7
109.06535	1.5
111.08028	1.5
115.03926	3.6
115.05468	3.2
116.04311	1.8
116.06264	2.0
117.07006	3.6
121.06553	2.1
121.10064	1.5
123.04411	3.6
124.05234	7.3
125.06004	3.1
128.06256	3.4
129.07002	5.0
131.08595	6.0
133.04964	4.5
133.06499	2.3
141.06990	4.7
144.05731	7.6
145.05013	3.0
145.06470	4.0
146.90262	1.9
151.03951	1.6
152.04677	3.4
156.05740	9.3
157.06499	3.1
158.07266	2.5
159.08060	14.3
161.05927	3.4
163.03876	5.7
165.06892	2.0
167.07042	82.0
169.06432	1.7
169.07692	1.9
173.05887	4.2
174.06740	3.3
177.05515	2.1
179.07071	2.3
180.05592	1.8
181.04959	2.2
181.08620	2.5
184.05179	2.6
186.06798	2.9
187.07549	7.9
189.05511	5.2
190.06201	1.9
193.08684	1.9
195.06506	3.5
201.09053	2.0
202.06282	5.0
202.07916	2.3
203.08575	3.9
205.06657	3.1
205.08588	11.6
207.06473	3.9
208.05159	16.2
208.08743	2.0
210.06723	2.8
215.08691	1.9
217.06519	1.5
217.08577	38.9
218.07260	3.8
219.08032	7.3
219.10164	4.5
220.08911	3.6
221.06021	4.8
221.09656	2.2
227.06918	1.8
229.08585	7.6
230.07251	2.8
231.08127	7.7
232.08856	2.5
233.09564	5.6
234.06706	1.9
235.07458	2.4
235.11226	2.3
236.04671	8.4
236.08327	3.7
238.06201	2.1
245.09653	3.8
246.06764	2.8
247.07726	13.3
247.09727	16.9
248.08455	12.5
249.05434	3.1
249.09311	3.7
250.06210	2.3
251.10767	5.6
254.05766	9.0
257.04581	2.3
259.07510	3.8
260.08313	1.9
261.09109	6.0
262.09882	3.0
263.07141	5.0
263.10672	6.9
264.07840	8.3
265.08612	5.0
267.06625	3.8
269.08066	28.0
271.06146	2.9
271.09662	6.0
272.06818	4.7
275.06982	6.8
276.07675	7.7
277.08630	7.2
279.06912	2.5
279.10150	9.8
280.10892	2.3
281.08270	2.7
282.05338	4.5
282.08890	10.7
285.07523	2.6
287.09244	3.6
288.12201	4.6
290.09323	4.7
291.10022	14.4
292.07434	3.7
292.10965	2.2
293.08002	10.7
295.09518	2.6
296.10352	2.9
299.08978	2.1
304.07068	3.1
305.08035	4.5
305.11487	2.3
307.06412	2.9
307.09564	13.4
308.10431	4.3
309.07550	1.7
310.08398	6.1
311.12823	2.4
315.08633	85.8
318.08884	2.2
319.09775	8.0
321.07559	3.9
323.09204	3.0
323.12772	15.5
324.09882	2.0
325.10873	3.2
328.09387	4.5
330.10983	100.0
331.11716	8.5
336.09940	7.8
337.10712	6.6
339.12283	12.6
343.11652	16.0
351.12299	28.6
353.10110	8.6
356.12570	3.4
368.12433	10.0
369.13376	6.7
371.14902	6.6
383.14902	93.4
401.16125	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	400.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
53.44845	3.0
55.01865	8.2
55.05505	12.9
57.03440	9.2
61.21309	2.4
67.05512	47.8
69.03437	5.5
69.07077	16.4
69.26994	26.9
71.05000	8.2
79.05501	28.1
81.03440	6.5
81.07067	49.6
83.04978	9.9
83.08625	5.3
85.02898	4.6
85.06551	6.6
85.72209	2.6
91.05485	38.3
93.07056	26.9
95.04982	8.7
95.08620	16.3
97.06536	5.7
98.20801	5.9
105.07043	42.6
107.04983	7.0
107.08608	34.1
109.06490	3.9
109.09471	5.0
109.10168	61.0
109.24560	3.0
117.07021	2.9
119.08578	8.9
121.06485	3.4
121.10177	4.3
123.08071	4.1
123.11731	9.9
129.05545	3.4
131.08569	10.6
133.10149	62.7
134.62827	2.8
135.11696	3.7
143.08557	4.0
147.11615	3.3
149.09651	9.2
151.11198	30.5
161.09610	4.7
169.12280	4.3
177.09178	4.8
215.12811	5.1
245.19182	3.1
253.14366	100.0
259.08609	3.2
269.13876	3.9
271.15399	24.5
273.18481	19.1
291.19540	11.1
318.92828	3.3
365.23236	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42492	1.0
63.74130	1.1
69.21015	12.1
71.84711	1.2
77.43983	1.3
79.05503	9.7
85.02913	1.8
91.05480	5.1
93.07040	1.4
95.04990	1.4
97.02891	1.9
98.97580	3.0
100.22295	1.1
106.04110	1.4
107.04952	24.3
107.08580	2.3
115.05441	2.2
117.07016	1.5
121.06533	1.2
123.04425	3.5
124.05212	4.9
128.06180	1.8
129.07007	6.0
131.08560	7.2
135.11687	5.0
137.05983	1.9
141.07021	3.3
144.05656	5.6
145.06473	4.2
152.04710	3.7
153.05547	1.4
153.07072	1.4
156.05696	9.9
157.06477	2.8
158.07320	1.7
159.08057	11.1
161.05962	2.6
163.03906	3.7
165.06996	1.2
167.07036	73.6
169.07620	1.9
170.07156	1.5
173.05989	3.3
177.05498	2.3
179.07085	1.5
181.04988	1.5
181.08627	3.3
184.05284	3.1
186.06740	3.7
187.07497	7.6
189.05504	2.4
190.06189	2.4
190.07753	2.2
191.08604	1.6
193.08586	2.0
194.07230	1.5
195.06499	4.2
197.05963	1.5
202.06287	3.9
203.08632	2.6
204.07884	2.7
205.06604	2.8
205.08617	11.1
207.06424	2.5
207.08197	2.3
207.10086	2.8
208.05165	20.6
208.08626	2.3
209.06078	1.6
210.06761	2.0
211.07420	1.8
215.06868	1.4
215.08678	1.9
217.08586	26.5
217.10651	1.5
218.07272	3.4
219.08063	8.3
219.10199	5.1
220.08893	3.8
221.06010	4.6
221.09683	2.0
222.03200	1.4
225.05516	1.6
229.08604	6.6
230.07382	1.4
231.08174	6.4
231.10065	1.5
232.08858	2.2
233.06004	2.0
233.09596	4.6
234.06792	2.2
235.07573	2.9
236.04726	6.9
236.08357	4.3
239.08679	8.4
240.04126	3.7
241.08640	1.7
245.09708	2.4
246.06845	1.5
247.07512	12.6
247.09703	16.1
248.08296	9.0
249.05461	2.8
249.09096	2.1
250.06349	2.1
251.10698	2.9
254.05765	11.1
258.06732	1.4
259.07541	3.0
260.08273	2.9
261.09122	4.5
262.09918	3.4
263.07056	4.2
263.10657	8.2
264.04797	1.1
264.07767	6.7
265.08585	4.2
267.06421	5.7
267.45596	1.2
268.03690	2.9
269.08066	27.9
271.06454	1.1
271.09619	5.3
272.06836	4.0
275.06967	6.6
276.07733	6.7
277.05341	1.6
277.08578	5.1
278.09363	1.8
279.10202	6.7
281.08102	3.8
282.05551	2.8
282.08875	11.5
285.07739	1.8
287.09351	2.8
289.08371	1.9
290.09390	5.3
291.10104	13.6
292.07257	3.2
292.10712	1.6
293.08099	7.3
293.11017	1.4
296.10342	1.8
297.07495	1.4
299.09164	3.9
300.06329	2.9
301.07202	2.4
304.07370	2.4
305.08218	2.9
305.11786	1.6
307.09610	9.5
308.10477	5.4
309.11151	2.7
310.08292	7.4
311.09259	2.0
311.12735	3.2
315.08615	85.6
316.09277	1.6
318.08771	1.7
319.09637	7.5
320.06876	2.0
320.10483	2.9
321.07523	3.8
321.11102	2.4
322.08475	2.4
322.11972	1.8
323.09271	2.0
323.12796	14.0
324.09650	2.1
325.10443	1.9
328.09409	5.5
330.10947	100.0
331.11758	7.6
336.09863	4.4
337.10773	7.3
339.12238	12.0
341.13666	1.9
343.11749	19.4
351.12259	24.4
352.13062	3.9
353.10352	7.4
356.12387	3.0
364.15778	1.3
368.12546	7.4
369.13373	5.2
371.14819	4.5
383.14890	68.2
401.16003	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	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01860	3.2
55.05494	1.7
55.46086	1.4
57.03206	2.0
57.03437	25.8
60.79209	1.2
61.02925	15.2
62.06063	1.4
68.31410	1.4
69.03098	2.7
69.03435	35.1
69.71420	5.7
69.71829	3.1
70.06601	1.9
71.01355	2.1
72.08146	1.4
73.02522	2.7
73.02921	56.1
81.03410	5.5
85.02905	100.0
87.04482	7.3
91.03936	6.6
91.05478	1.9
97.02892	43.9
98.21426	1.7
98.97610	1.7
99.04436	1.7
103.03904	1.7
109.02879	10.3
110.07127	1.5
115.03930	36.8
119.04911	1.7
127.03922	27.0
132.06558	2.2
133.04959	20.3
145.04955	60.1
147.04427	2.5
150.07645	4.9
150.53984	1.5
163.06010	34.0
167.07018	2.3
210.14749	2.1
220.04198	1.9
223.06085	5.0
226.29523	1.3
241.07114	4.0
251.15005	9.7
259.08051	5.2
295.10172	4.9
311.51636	1.7
330.10992	1.5
383.14828	3.5
400.15964	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	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01871	2.4
55.05521	1.7
57.03441	28.5
61.02931	14.5
65.48465	1.3
69.03434	33.2
69.07093	1.5
69.33587	11.3
70.06589	3.0
71.01347	2.0
72.08129	1.7
73.02924	58.3
79.05507	1.7
81.03408	6.8
81.07064	1.4
84.04504	1.5
85.02908	100.0
86.09713	1.9
87.04485	9.7
91.03961	3.6
95.04954	1.6
97.02896	48.0
98.97597	2.9
99.04465	4.1
103.03911	1.5
107.04935	1.5
109.02899	8.4
110.07158	1.3
115.03934	35.5
127.03922	30.8
133.04987	16.1
136.07619	3.0
145.04965	64.6
150.07654	4.8
163.06029	35.1
167.06987	2.1
211.15335	2.0
221.53984	1.4
223.06012	3.0
241.07083	5.7
251.14928	7.5
259.08167	4.6
295.10172	4.6
304.47092	1.2
330.11172	1.8
359.85638	1.5
383.14966	4.1
400.16263	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.238
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03931	2.3
55.01877	1.6
55.05524	2.8
57.03426	4.0
57.07080	3.0
59.05001	3.2
61.02911	2.3
63.28003	1.1
67.05509	10.8
69.03438	11.2
69.07056	5.6
70.06601	3.4
70.64264	2.7
70.64636	2.7
71.04999	6.3
73.02892	2.4
79.05496	7.8
81.03420	5.8
81.07059	41.2
83.01331	1.4
83.04948	1.7
85.02911	28.9
85.03808	1.2
86.09715	3.0
87.04455	2.1
90.57697	1.4
91.03989	1.6
91.05482	9.0
93.01087	1.2
93.07053	59.5
95.04956	2.1
95.08611	24.9
96.01538	1.4
97.02908	8.8
97.06546	22.6
97.10162	1.3
98.97597	2.0
105.07051	12.4
107.04995	1.6
107.08591	11.7
109.02895	2.9
109.06532	9.8
109.10170	9.9
109.32077	1.2
111.08101	3.0
112.19212	1.2
113.06007	3.7
119.08592	11.3
121.10158	10.0
123.08082	18.9
123.11716	24.7
125.09593	3.9
127.03888	4.9
127.11227	1.3
131.08554	2.6
133.10143	15.2
135.11722	4.3
137.09599	5.5
145.04965	3.7
145.10136	7.6
147.11722	9.8
149.09647	2.7
149.13254	2.3
151.11176	16.6
157.10202	1.5
159.11702	7.8
159.91867	1.5
161.13295	2.5
163.11201	4.0
171.75531	1.4
173.13214	3.3
175.14787	1.4
201.16379	11.2
203.18016	2.9
214.06898	1.6
219.17458	100.0
237.18459	3.0
280.10809	1.4
286.08899	1.9
290.12045	1.4
298.21634	1.4
399.15439	1.4
399.19888	1.9
407.08206	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67078	1.9
53.03952	2.2
55.05509	12.8
57.07064	3.6
67.05510	22.5
69.03423	8.0
69.07076	20.3
71.04994	4.8
71.08638	3.2
71.55515	4.2
74.09723	6.5
79.05499	23.9
81.03419	3.8
81.07059	48.8
83.08626	8.2
85.06541	3.0
85.10213	2.4
87.21655	2.0
91.05482	31.4
93.06484	4.0
93.07049	52.6
95.04926	3.5
95.08614	41.2
97.06538	3.9
97.10169	3.4
99.04456	2.9
99.08102	3.9
105.06328	3.4
105.07035	66.8
105.07704	4.7
106.07375	2.3
107.08598	61.2
109.06552	3.6
109.10160	26.8
111.08099	6.0
112.22074	2.6
117.07036	11.8
119.08588	70.0
121.06513	3.3
121.10145	52.4
123.08099	5.0
123.11716	11.1
125.09607	2.7
129.05502	3.3
129.06972	6.9
130.07785	2.3
131.08574	35.0
133.06493	4.4
133.10144	43.9
135.08057	7.6
135.11687	32.7
137.09641	5.1
137.13287	5.1
141.07030	4.0
141.09123	2.8
142.07777	4.8
143.08566	20.4
144.09351	4.6
145.10141	37.1
147.08055	6.0
147.11684	26.3
149.09645	6.3
149.13274	11.9
151.11189	3.4
153.08997	2.4
155.08560	7.0
157.10117	18.4
158.10876	3.0
159.08109	5.2
159.11688	30.1
161.09608	11.0
161.13255	26.0
163.11220	6.2
163.14803	4.1
165.09229	3.1
167.10657	4.6
169.10124	9.0
171.11713	14.6
173.09550	2.5
173.13258	16.0
173.55913	2.3
175.11188	8.7
175.14868	9.5
177.09085	3.1
177.12811	7.4
179.10695	6.6
181.10158	5.1
181.12250	10.4
183.11772	10.6
185.13280	12.1
187.11169	4.3
187.14806	11.7
189.12711	5.7
191.14404	3.1
193.12219	3.4
195.11734	6.6
195.13643	3.7
197.13271	9.1
199.11224	2.8
199.14845	8.7
201.12746	4.5
201.16389	5.5
203.14394	4.8
205.12285	3.9
205.15874	4.0
207.13803	4.5
209.13275	4.0
209.15326	2.7
211.14845	7.4
213.12849	3.0
213.16351	11.4
215.17975	4.1
217.12271	2.6
217.15848	3.8
219.13863	7.8
221.15294	4.8
223.14795	3.2
225.16328	5.5
227.17813	4.4
231.13864	3.0
233.15445	7.4
235.16994	5.3
237.16335	2.4
239.17955	5.1
243.17502	3.2
244.11464	2.3
245.15192	2.5
247.16975	4.3
251.17839	2.9
253.19514	6.5
265.19467	3.3
266.98480	2.8
271.16852	4.4
285.22067	4.8
311.19965	2.9
319.24023	2.8
325.21594	4.2
329.24884	4.2
339.23172	2.9
343.22781	5.9
355.26431	8.3
363.26874	13.0
381.27902	48.8
399.30624	100.0
399.43811	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	399.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46839	1.7
53.03934	3.9
53.08725	1.6
54.37726	1.9
55.01861	3.9
55.05509	10.3
57.03426	4.1
57.07076	1.8
58.61771	2.1
61.02931	2.3
67.05516	9.2
68.39581	1.8
68.99795	2.2
69.03137	1.9
69.03437	18.9
69.07051	4.3
69.23926	5.1
69.24343	13.2
70.06590	6.8
71.04996	11.0
72.08138	2.9
79.05485	13.9
81.03415	11.4
81.07060	33.2
82.95087	2.2
83.04964	3.1
83.08597	4.3
85.02908	26.5
85.06540	2.5
86.09676	2.8
91.05481	8.4
93.07039	22.7
95.04940	5.4
95.08610	17.6
97.02890	12.1
97.06510	4.8
97.10133	2.4
98.97508	2.2
99.04448	3.6
99.08075	8.5
105.07037	29.4
107.04942	3.6
107.08624	22.4
109.02885	5.3
109.06519	5.2
109.10172	17.8
109.98275	1.8
111.00768	3.0
111.04459	2.4
117.07047	3.3
119.08590	16.0
121.06512	2.4
121.10146	16.1
123.08046	4.9
123.11703	6.2
123.56033	1.8
125.09609	7.9
127.03934	14.7
127.07546	4.4
127.11187	5.3
129.07062	2.2
131.08543	8.8
133.10132	39.6
135.08037	2.9
135.11671	8.0
137.02283	1.9
137.09601	4.5
139.11153	2.4
143.10672	4.9
144.09476	1.8
145.04900	3.0
145.10164	13.0
147.11699	23.4
147.42218	2.1
149.13278	3.9
151.07590	5.2
151.11198	4.8
153.01845	20.4
153.12755	4.5
155.10609	2.9
157.10170	3.6
159.11656	12.7
161.13255	5.6
165.01961	2.5
165.12830	2.9
167.07104	2.4
173.04453	4.6
173.05911	3.1
173.13251	1.8
175.11308	1.7
175.14777	2.9
187.03856	2.2
189.05493	7.2
191.17964	3.4
201.05466	2.8
201.16397	11.9
219.17426	27.5
231.07480	2.2
237.18533	9.4
242.05733	3.7
261.05261	2.4
269.04422	4.0
270.05209	4.4
271.05875	3.7
281.08298	2.0
298.04657	2.3
309.07422	5.0
326.07736	2.9
337.06787	2.5
340.05487	2.5
355.08124	100.0
356.08395	2.8
381.09625	3.7
399.10748	46.0
399.15857	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	399.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01871	1.1
55.05514	1.1
57.03432	1.0
65.03948	0.6
67.05497	2.0
68.99792	0.7
69.03452	1.0
69.07081	2.4
71.08650	0.7
71.55011	0.7
79.05503	2.5
81.03445	0.7
81.07050	1.3
83.04935	0.4
86.62621	0.4
91.05479	1.1
92.02626	1.1
92.42010	0.4
93.03424	1.3
93.07052	1.0
93.86922	0.4
95.04991	0.7
95.08623	0.7
97.06538	6.8
97.10183	0.6
105.07029	0.9
107.04948	0.4
107.08611	1.0
109.10182	0.8
111.00833	0.8
111.04449	0.4
114.68810	0.4
115.05396	0.4
119.08601	0.7
121.02870	1.3
121.06582	0.5
121.10138	0.8
123.08129	0.7
125.09688	0.4
126.03069	0.4
129.03355	0.5
129.07039	0.6
131.08604	0.4
133.10152	0.5
135.04398	0.5
137.02342	1.0
137.05977	0.4
145.10095	0.7
147.11703	0.4
149.09714	0.5
151.07472	0.4
153.01840	8.4
159.04495	0.6
161.06010	0.6
165.01900	1.2
167.07100	0.9
171.04463	0.5
173.06053	0.8
173.81026	0.5
176.04742	0.7
179.03452	1.2
181.05121	0.5
189.05482	4.3
189.06905	0.5
196.49057	0.5
199.03938	0.4
201.05548	1.2
203.03493	1.5
205.04968	0.6
213.05576	0.6
215.07094	0.5
217.05003	6.8
218.05898	0.8
225.18422	0.5
228.04181	1.0
229.04980	4.1
231.02943	0.7
238.37619	0.4
243.06686	1.0
245.04449	8.7
246.05226	1.5
255.25290	0.5
257.04346	2.4
269.04492	2.6
270.05191	0.5
271.05908	1.1
273.03955	8.4
274.04706	3.0
278.64789	0.4
285.03894	3.5
298.04578	0.6
299.05530	6.7
301.03461	11.3
302.04230	13.6
303.04987	8.7
309.07736	0.5
313.03439	25.6
314.03516	0.6
325.07230	1.7
326.04285	2.1
327.05118	0.6
327.08499	2.2
339.05038	0.6
340.05734	0.5
355.08151	15.5
356.08569	0.7
381.09949	0.7
399.10861	100.0
399.19791	86.1
400.11185	4.7
400.20245	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2379
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03951	3.0
55.01880	1.6
55.05504	3.5
55.70839	1.1
57.03440	3.3
57.07076	2.3
59.04987	2.6
61.02923	4.4
67.05511	12.9
69.03430	12.4
69.07059	4.6
69.42051	10.2
70.06590	3.4
71.04986	6.8
73.02888	2.6
73.06561	1.4
79.05508	7.6
81.03415	6.7
81.06589	2.6
81.07056	43.6
83.04971	2.2
85.02903	24.0
85.06522	1.9
86.09700	1.6
87.04467	1.8
91.03950	1.7
91.05486	6.8
93.07047	50.1
95.04961	3.6
95.08611	30.3
97.02902	11.7
97.06539	20.4
99.04446	3.2
105.07030	13.5
107.08592	11.4
109.02882	3.6
109.06508	10.7
109.10163	12.1
111.08088	2.4
113.05989	2.4
117.06987	1.9
119.08598	11.6
119.77997	1.4
121.06526	1.3
121.10151	10.8
123.08068	17.2
123.11707	23.6
125.09618	2.8
127.03895	6.1
131.08562	4.3
133.10146	13.8
135.11696	5.7
137.09599	2.2
139.11176	1.8
145.04958	2.6
145.10136	8.0
147.11697	12.0
149.09712	1.8
149.13287	1.9
151.11191	16.7
153.01776	1.5
157.10110	2.7
159.11719	7.6
161.13315	3.1
163.11159	4.6
171.11610	1.6
173.13277	3.7
175.14813	2.3
191.14374	1.8
191.17924	2.6
201.16411	12.4
203.17928	1.5
219.17450	100.0
229.15482	1.8
237.18527	2.6
270.05093	1.5
270.15265	1.4
355.08148	13.2
355.15082	1.3
381.19360	1.4
399.10577	6.4
399.15509	13.7
399.19830	2.9
399.24051	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.6
55.15806	2.8
56.96552	5.3
57.03445	20.7
61.02916	11.7
69.03432	35.0
69.07074	37.3
70.06590	3.4
73.02917	42.1
79.05499	3.9
81.03422	8.5
81.07071	4.2
85.02910	100.0
85.03982	3.1
87.04443	3.4
87.08109	50.3
89.03912	13.9
91.03968	5.2
91.05483	9.2
97.02898	47.0
98.21539	7.6
98.97588	14.4
101.05992	3.4
103.03944	3.6
106.39880	2.8
109.02875	10.0
110.97690	3.5
111.04444	5.2
115.03928	24.0
116.98602	5.0
117.03372	11.7
119.04918	6.2
127.03940	24.7
128.98631	3.1
129.05528	4.5
133.04953	8.6
135.04463	16.9
136.06194	4.0
141.13928	3.8
145.02864	17.2
145.04958	39.0
147.04399	10.9
149.61185	3.0
153.07092	3.5
158.99651	6.1
159.04462	4.5
161.06061	3.9
162.62460	3.1
163.03911	74.6
163.05954	19.9
164.04247	4.4
165.07050	5.2
166.07816	4.9
167.08563	6.9
173.02415	3.2
175.03900	4.3
179.08557	3.5
181.06395	3.8
183.10159	9.0
184.29907	2.7
189.05482	8.7
190.07767	3.1
191.08530	7.9
195.08072	4.0
203.03479	4.8
205.04918	4.6
207.06447	5.1
211.06030	2.9
219.01801	6.5
219.07086	4.9
223.07623	4.4
229.19002	3.8
232.84959	3.0
247.07574	8.4
249.09019	4.6
250.09456	4.4
251.06915	7.9
263.02310	3.9
265.08575	6.7
267.14410	10.3
275.06961	6.0
293.08182	4.4
321.07602	10.1
339.08734	4.7
346.40927	3.2
349.06857	3.8
353.10364	4.0
367.08157	5.2
381.09500	7.1
399.11258	14.9
399.16290	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	399.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
65.03930	1.9
67.05500	2.5
69.84461	7.1
78.96422	1.5
79.05496	2.8
81.07058	1.5
87.63829	1.3
91.05483	12.2
93.07061	1.7
95.04910	1.4
95.08591	1.5
103.05463	3.0
104.52475	1.2
105.06971	2.2
107.08610	2.1
107.77295	1.5
111.04407	1.8
115.05441	3.6
117.25584	1.3
119.04951	10.3
121.06472	2.9
123.04469	1.4
128.06189	1.6
129.03406	6.5
129.05470	2.3
131.04868	1.6
133.10130	1.3
145.06444	2.0
145.10144	1.6
146.03656	1.6
147.04401	11.9
151.03900	4.0
155.04858	3.0
161.05952	6.3
165.05531	3.2
165.06998	4.9
173.05980	3.0
177.05493	2.8
178.07771	10.7
179.08542	4.7
189.05479	100.0
189.06992	10.0
190.07767	12.3
191.08553	42.9
191.10330	1.9
192.09317	5.2
193.06610	1.8
193.10170	1.6
195.08057	1.7
199.07527	6.0
201.07111	1.6
202.05940	2.1
202.07767	14.9
203.08559	7.4
205.06482	10.6
205.08310	2.7
205.10248	1.9
207.08040	3.8
213.05519	3.8
218.07266	7.9
219.06627	3.1
219.08119	31.7
220.08850	6.7
223.07729	1.4
229.06470	6.4
231.08047	5.6
232.08536	1.5
233.06001	3.6
234.06950	1.7
235.07597	1.8
237.09109	8.8
245.04413	1.5
245.09615	1.9
246.06696	3.6
247.07553	51.8
248.08209	5.4
249.09056	3.1
251.10608	1.8
257.05948	5.2
259.07645	8.8
261.09106	3.7
273.05594	1.6
274.06186	1.9
275.07016	31.9
276.07730	2.1
279.10120	7.1
285.05453	3.1
289.08664	14.7
290.09393	1.8
301.03476	3.1
303.06564	29.5
305.07996	2.1
307.09634	97.7
308.09991	1.9
313.03366	2.4
317.08142	10.2
321.11227	2.2
323.08939	1.7
325.10785	2.1
335.09122	36.9
336.09167	1.9
349.10715	17.2
353.10330	2.0
367.11795	20.7
381.13211	4.6
385.12817	3.7
399.10529	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	399.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.05502	1.1
56.96573	0.8
59.04991	0.9
64.79498	0.7
65.03938	0.8
67.05494	2.6
69.07075	0.9
69.47954	5.7
71.04981	0.8
75.04469	2.4
79.05503	3.7
81.07059	4.5
91.05491	13.4
93.07028	3.0
95.08601	2.8
103.05469	2.8
105.07017	4.1
107.04976	1.0
107.08607	4.7
109.10159	1.8
111.04453	1.0
114.85034	0.8
115.05475	3.0
119.04222	1.2
119.04955	11.1
119.08566	2.7
121.06521	3.3
121.10154	2.7
123.04424	2.7
128.06253	1.1
129.03369	7.8
131.04910	2.4
131.08578	1.8
133.06520	1.0
133.10139	2.3
135.11688	1.9
143.08466	1.0
145.06471	4.0
145.10141	2.2
146.03639	1.1
146.07303	1.1
147.04416	13.6
147.08076	1.3
147.11664	1.8
149.05974	1.6
149.13097	0.8
151.03865	3.7
152.06178	1.1
155.04912	2.0
155.08582	0.9
157.10146	1.2
159.11646	2.3
161.05962	6.9
161.13240	1.5
163.03926	0.9
165.05438	2.6
165.06984	4.4
171.11745	1.7
173.06003	3.6
173.13300	1.2
175.03893	0.9
176.06200	1.7
177.05435	2.4
177.06923	1.7
177.09242	0.9
178.07780	9.7
179.08537	4.6
183.04420	1.0
189.05478	100.0
189.06989	9.5
190.06091	0.9
190.07759	13.9
191.08548	39.7
192.09306	6.2
193.10173	2.4
193.12105	1.0
194.07344	1.2
195.08093	2.4
199.07542	4.8
201.07014	1.7
202.07799	13.7
203.08533	8.6
204.04149	1.4
204.09343	1.6
205.06480	10.6
205.08546	2.7
205.10310	1.0
205.12032	0.9
207.08101	2.4
208.08815	1.1
209.09572	1.4
213.05450	3.4
215.08565	1.1
217.06516	1.3
218.07253	7.8
219.06473	4.8
219.08157	32.0
220.08766	6.8
221.08060	2.6
221.09856	1.0
223.07544	1.1
229.06410	4.1
230.07294	2.2
231.08058	6.9
233.06079	2.3
233.09654	1.6
234.06721	1.2
235.07579	1.9
236.08270	1.6
237.09079	7.7
245.09628	2.2
246.06760	2.7
247.07558	43.2
248.08255	4.8
249.09152	2.3
251.10706	1.5
257.06018	4.8
259.07541	9.7
261.09003	3.9
263.07080	2.2
264.07794	1.2
265.08545	1.5
274.06229	1.8
275.07016	31.1
276.07663	2.0
277.08481	1.1
279.10159	6.3
282.24115	0.9
285.05579	0.9
287.07074	2.3
289.08606	12.3
291.06448	1.0
291.10184	1.1
303.06534	24.1
305.08157	1.6
307.09637	86.4
308.09943	0.9
317.08063	7.3
321.11148	3.1
323.09152	2.2
325.10522	1.3
335.09140	28.9
339.12286	1.4
349.10666	13.1
353.10135	1.2
363.23355	1.2
367.11804	14.3
381.23877	1.2
381.28189	1.1
385.12778	2.9
399.10477	1.3
399.24985	2.6
399.29117	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	399.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20134	0.8
65.22198	0.7
68.67741	0.8
69.49866	2.0
69.50273	3.3
85.02927	1.2
97.02866	1.5
98.21516	1.7
101.00879	1.0
103.00617	1.0
118.55584	0.8
136.06235	2.2
143.02049	1.0
157.03481	1.1
185.04327	2.6
205.06920	6.8
216.95001	3.5
219.06340	1.5
223.06691	0.9
225.06458	1.3
237.07353	46.8
250.09470	3.1
267.07660	0.9
318.67282	0.8
365.82080	0.8
399.01898	2.3
399.12784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.0
55.01867	10.3
55.37940	3.6
56.41232	3.9
57.03444	4.0
65.03938	10.8
67.05505	5.7
69.07072	5.3
70.05654	3.8
71.01351	7.1
71.54807	4.5
71.55200	5.3
72.65719	3.4
79.05502	20.6
81.03414	38.8
81.07068	4.0
81.76166	3.1
83.01356	5.4
85.02904	9.4
87.08111	6.6
88.11326	3.2
89.03932	10.8
91.05482	57.8
93.03445	6.2
93.07043	10.9
93.39469	3.8
95.04974	10.7
97.02908	6.8
103.05473	24.8
105.03364	7.8
105.07031	10.2
107.04946	20.1
109.02896	6.4
111.04439	4.3
115.05437	14.9
117.03381	4.5
117.06993	6.8
119.04948	41.9
121.02888	9.1
121.06509	15.1
125.02356	6.5
128.06210	8.5
129.03413	5.3
129.07001	15.5
131.04932	20.6
133.02847	8.0
133.06516	8.5
135.04379	20.9
139.03905	18.5
141.06966	18.1
144.05716	5.6
145.02838	35.4
145.04904	4.2
145.06496	5.8
146.03624	5.3
147.04402	49.7
149.02379	7.2
149.05971	21.3
151.03984	4.2
152.05188	4.7
152.06219	26.3
153.06975	15.5
154.07777	10.2
155.08539	7.4
157.06494	5.8
159.04411	35.1
159.07996	3.9
161.02286	3.3
161.05968	8.8
163.03906	13.1
165.05591	7.4
165.06981	63.9
166.07802	45.2
167.08556	48.8
169.06522	14.4
169.10138	6.0
171.04459	4.9
171.08145	4.9
173.02390	10.3
173.05969	11.5
173.62119	3.4
175.03894	33.5
176.06186	5.9
177.05521	58.0
177.07021	12.6
178.07776	48.3
179.08568	44.7
181.05019	8.5
181.06511	21.4
181.10117	20.9
183.04286	3.7
183.08093	6.5
185.06024	8.7
185.09619	15.1
187.03844	11.5
189.05698	24.9
189.07039	23.8
190.07758	42.5
191.03354	7.2
191.06950	8.6
191.08563	94.0
192.09352	4.1
193.04932	4.8
193.06555	9.9
193.10127	23.1
194.05717	4.7
194.07211	20.1
195.08076	60.8
197.05981	10.3
197.09610	10.6
199.07561	6.6
201.05426	8.5
202.07805	20.9
203.03404	29.3
203.08582	14.5
205.04942	55.0
205.06578	21.4
205.10178	3.9
206.07317	10.5
207.06322	17.4
207.08170	24.7
208.08908	4.3
209.06030	9.1
209.09627	39.9
210.06784	4.2
211.07567	9.7
213.09148	12.9
218.07277	20.1
218.47556	4.1
219.08084	79.5
220.08727	8.9
221.06056	18.5
221.09639	18.3
222.06779	12.1
223.07558	57.8
225.05563	6.6
225.09004	8.4
231.08122	11.1
233.05995	13.5
234.06763	7.2
235.07504	28.6
236.08260	11.5
237.05591	5.9
237.09103	59.2
239.07027	7.3
241.08710	19.9
246.06799	5.9
247.07565	90.3
247.09962	7.4
248.08162	7.0
249.05490	10.6
249.09116	22.1
250.06212	6.2
251.07030	60.1
253.08562	9.1
255.10133	6.4
259.07538	8.0
261.05426	9.9
263.07098	22.3
264.07809	10.8
265.08615	79.7
267.06677	6.3
267.10138	11.0
269.08066	14.2
273.05334	4.5
274.06210	7.5
275.07043	84.0
276.07596	4.0
277.05743	3.6
277.08585	24.5
279.06500	25.9
279.10120	9.9
281.08176	5.0
283.09677	7.0
291.06558	12.4
292.07260	7.1
293.08060	100.0
295.09744	10.5
297.07657	10.4
303.06512	55.5
305.08124	9.7
307.09647	16.1
309.07706	3.8
309.11087	4.7
311.09161	20.1
319.06116	5.9
321.07574	87.5
323.09183	8.8
325.10779	7.5
331.06024	25.7
335.09106	28.2
337.10727	4.2
339.08630	38.7
349.07010	45.2
353.10242	30.1
363.08548	20.2
367.08163	49.4
371.10962	5.9
381.09711	65.3
385.09259	11.5
399.10617	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94001	1.8
60.22437	1.9
61.02875	2.3
69.03439	3.8
71.54239	4.3
73.02919	3.5
74.35652	1.8
75.93483	1.9
81.07063	3.0
85.02904	6.4
87.04465	2.1
91.05486	12.0
97.02895	7.7
98.97561	3.2
101.00909	9.9
102.05540	3.8
103.00639	10.3
108.49196	1.9
114.02197	2.1
115.02518	2.4
119.01907	10.6
119.04942	6.4
121.01678	12.7
127.02422	1.9
136.06210	7.6
139.02501	2.6
143.01883	4.8
145.01691	5.8
145.03502	3.3
147.03267	2.9
147.04401	8.9
148.04732	2.7
151.24356	2.0
155.01924	2.2
157.03467	12.1
159.03218	8.2
161.03014	5.9
161.06010	2.6
163.04158	2.0
165.04247	3.5
165.05525	2.3
175.03989	3.9
177.04286	3.6
184.05859	3.7
189.05507	12.0
191.40172	2.0
195.06969	3.3
203.03960	2.5
205.07025	16.2
206.05707	2.3
207.05188	3.5
223.06573	14.2
225.06325	15.9
237.07396	25.0
241.07742	3.4
243.07327	3.1
250.09366	8.8
265.07730	11.4
266.07809	2.3
267.07617	7.1
268.07864	4.0
277.07776	4.2
279.09271	4.4
293.09052	12.6
295.07077	4.1
319.06775	3.2
363.05954	3.9
381.06915	2.8
381.11511	9.5
399.12704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1074
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
51.55575	0.6
55.01849	1.1
55.05479	1.5
57.03416	1.1
67.01852	1.7
67.05503	1.6
68.99778	3.4
69.03428	2.5
69.07067	2.5
70.72391	1.7
79.05491	1.8
81.03411	1.3
81.07042	1.4
83.04980	1.3
85.02898	1.6
91.05482	2.5
93.07025	1.5
95.90185	0.6
97.02863	1.5
97.06533	2.3
105.07019	0.9
107.04951	1.1
107.08582	1.0
107.26864	0.7
109.02853	1.4
109.10170	0.8
111.00807	2.0
113.01358	0.6
115.05454	1.0
123.04443	0.8
127.03873	0.6
129.03383	3.0
129.07013	1.9
133.06422	0.9
133.10107	1.3
137.02351	1.1
139.03920	1.6
143.04860	0.9
143.08546	1.2
145.10147	0.7
147.04398	3.1
151.03931	0.8
152.06230	0.8
153.01828	100.0
153.07014	2.8
155.03391	1.1
155.08542	1.4
157.06566	0.9
159.04390	1.0
159.08084	0.9
160.05177	1.9
161.05991	6.5
163.03935	1.2
165.01839	2.8
165.07030	0.7
167.07053	0.7
171.07973	1.1
173.06020	3.4
174.06859	0.8
175.07562	2.9
177.05443	1.5
177.06917	0.8
181.01334	0.7
181.05029	0.9
181.06500	2.9
183.08051	1.9
185.06001	1.2
187.03989	0.9
187.07549	2.1
188.08427	0.8
189.05470	28.0
189.09097	2.7
199.07550	3.4
200.04706	0.8
201.05397	3.1
201.09087	2.7
202.06264	0.8
203.03445	3.2
203.07069	1.8
205.06566	1.6
205.08492	1.4
211.07631	0.8
212.04742	0.7
213.05498	1.2
215.06989	1.7
216.40540	0.6
217.04958	2.8
217.08572	2.6
219.17436	1.2
227.06996	5.4
229.05022	2.1
229.08578	5.8
231.06516	0.9
233.06015	1.4
237.05531	1.2
237.18454	1.9
239.06949	1.1
241.08621	0.9
243.06607	1.4
245.04485	2.3
245.08029	3.8
250.06317	1.0
251.06984	0.9
253.05038	1.3
255.06470	10.0
257.04370	0.7
257.08017	1.0
261.05319	1.2
265.08487	0.8
267.06686	0.8
269.04474	1.9
269.08105	0.9
271.06039	2.0
273.04086	2.3
273.07559	19.5
275.75726	0.7
277.04999	0.9
278.05667	1.1
279.06497	2.2
281.04355	1.2
282.05252	2.3
285.03970	3.5
286.04776	1.0
289.04861	0.9
293.08176	1.6
295.05966	2.1
297.04141	1.1
297.07498	1.6
298.04767	3.0
299.05487	3.6
299.08850	1.3
301.03400	4.1
302.04315	1.9
303.04938	3.1
306.05185	2.1
307.06104	1.4
307.09622	2.4
309.07559	2.3
310.04678	1.0
311.05511	3.9
311.09164	1.8
313.03455	11.2
313.06946	1.5
317.08173	1.8
320.06903	1.2
321.07571	2.9
323.05548	1.5
324.06100	2.0
325.07047	3.2
325.10599	1.3
326.04083	2.3
327.04984	6.0
327.08603	1.5
334.04706	2.2
335.05472	1.9
335.09216	3.2
337.07123	3.6
339.04895	1.5
339.08591	1.3
340.05981	0.9
341.06058	0.8
342.07581	1.3
348.06216	1.2
349.07083	0.8
353.10208	5.3
355.08115	24.3
363.08530	4.5
381.09689	21.1
399.10736	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10144	3.3
53.03947	3.4
55.05503	15.2
57.07079	17.0
67.05508	31.1
69.07066	27.1
70.36766	9.3
71.08635	17.5
77.91358	3.3
79.05480	14.2
81.06595	4.3
81.07057	53.1
83.08596	12.3
85.10192	4.9
91.05473	13.2
93.07043	27.9
95.08606	47.0
97.10153	11.3
105.07050	28.9
107.08577	28.0
109.10159	42.0
111.11716	5.8
119.08571	22.6
120.36163	3.4
121.10144	15.6
123.11696	15.5
133.10101	19.5
135.11681	34.8
137.13301	4.3
145.10130	4.7
147.11691	47.8
149.13240	17.8
151.14835	4.0
159.11667	6.3
161.13254	42.3
163.14806	4.1
175.14819	21.8
177.16353	3.4
187.14845	5.0
189.16356	11.8
203.17969	5.8
215.17984	9.3
217.19661	5.1
221.65126	4.0
227.28648	3.3
229.19543	4.0
243.21007	6.4
255.22157	3.3
257.22604	3.9
261.25815	8.1
397.38266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	31.8
58.85617	2.6
59.05003	4.7
61.02914	6.2
67.24954	2.4
69.03433	85.9
69.07078	27.2
69.70117	14.5
69.99418	2.5
73.02937	15.6
79.05473	3.6
81.03400	7.5
81.07044	8.4
82.24465	2.6
85.02911	100.0
87.04474	60.3
91.03941	3.5
93.07014	8.4
97.02898	72.0
97.06487	3.4
99.04439	3.5
99.05765	3.1
99.08209	3.0
107.08577	3.7
109.02895	4.6
109.06480	3.4
111.00263	2.8
111.08091	15.7
115.03938	91.3
117.07074	3.8
127.03919	20.8
133.04979	99.0
133.06001	4.7
135.08073	5.0
145.04968	36.5
150.07619	14.1
153.09113	6.2
160.41005	2.8
163.03938	7.8
163.06035	29.0
165.09155	3.5
178.97975	2.6
183.10196	6.6
189.11130	3.6
195.10173	5.2
201.11224	7.9
213.11388	4.2
219.12373	3.8
231.12274	3.7
241.07138	5.7
249.77415	2.8
259.08133	7.4
274.70129	2.6
277.09125	4.4
295.10437	6.0
305.03079	2.8
322.83292	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	398.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.3
55.05513	53.6
57.03424	11.4
65.03957	3.5
67.05499	30.5
68.31406	3.4
69.03429	10.7
69.07056	12.0
69.62863	10.2
69.63279	10.9
72.08137	6.5
79.05483	33.3
81.07063	28.5
83.04973	11.3
83.08620	33.0
85.66040	2.9
91.05486	51.5
93.07057	19.6
95.08576	4.8
97.10173	60.1
97.61671	3.5
104.40821	3.1
105.07011	14.4
107.04946	4.0
107.08585	29.2
109.06468	4.4
109.10141	14.0
111.08094	3.9
115.05466	7.2
117.07046	24.5
119.04935	5.9
119.08582	88.6
120.08913	4.6
121.06502	7.5
121.10142	6.6
125.09640	45.7
131.08539	9.5
133.10123	8.1
135.08076	16.1
135.11649	5.4
143.08556	5.6
143.10617	4.5
145.06482	20.6
145.10075	8.5
147.08063	6.3
153.09151	5.9
155.08488	3.7
157.10130	6.5
159.08014	11.7
159.11638	4.0
161.09660	4.5
163.11201	3.5
171.10216	6.7
173.09506	3.5
173.13136	3.8
189.05458	6.3
189.11220	64.6
190.05763	5.4
227.12767	35.8
245.13850	20.9
250.34013	3.4
253.15948	4.2
271.16904	43.7
289.17886	25.1
345.20648	25.9
358.14075	3.6
363.21643	100.0
380.26691	8.5
398.27475	11.0
421.33804	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	397.3465
Annotation	Ergosta-8,14,24(28)-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05509	7.8
57.07057	1.9
67.05502	11.9
69.07067	10.5
69.24449	6.1
69.24870	2.8
71.04981	1.0
79.05497	9.3
81.07058	28.6
83.08636	6.4
86.37247	0.8
91.05487	8.6
93.07047	18.2
95.08606	39.8
97.06557	1.0
97.10166	4.8
99.08105	8.9
105.07034	18.8
107.07871	2.0
107.08589	21.8
109.10155	21.5
113.09644	2.6
117.07014	5.4
118.98222	0.9
119.08578	23.5
121.10139	16.1
123.11712	12.7
125.02319	0.9
129.06978	2.6
131.08583	7.7
133.10129	18.3
135.11696	14.4
135.12614	1.7
137.09550	1.0
137.13246	6.9
139.11177	4.4
143.08537	4.3
144.09357	1.3
145.10121	12.0
147.11688	14.4
149.13272	12.5
151.14813	1.0
155.08627	1.0
157.10130	9.2
159.11699	9.6
161.13251	8.1
163.14848	5.7
167.14192	1.2
171.11658	8.1
173.13245	11.1
175.14819	9.6
177.16414	4.5
181.15950	1.3
185.13206	4.7
187.14836	10.5
189.05452	2.6
189.16376	16.5
189.17944	1.5
191.06065	1.0
191.17963	4.2
197.13283	1.5
199.14812	4.2
201.16417	6.1
203.17999	9.6
207.17493	5.9
211.14754	1.7
213.16391	4.1
215.18013	5.1
217.16084	1.1
217.19487	2.6
221.18977	1.1
225.16380	1.0
227.17924	2.8
229.19511	5.3
231.17456	1.4
231.21165	2.4
233.19078	2.4
241.19487	5.0
243.21069	2.4
245.18909	6.3
247.20650	1.6
255.21159	7.3
257.22699	1.4
259.20685	4.9
261.22226	2.2
269.22733	1.0
273.22189	1.6
281.22726	1.9
283.24268	1.9
287.99692	1.0
295.24252	1.9
301.25299	1.2
309.25812	5.1
313.25284	1.8
320.95584	1.0
323.27463	1.4
341.28549	1.3
354.29370	1.7
355.29984	1.6
379.33566	9.8
397.34674	100.0
398.35217	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2223
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
53.03924	1.4
55.05499	3.3
56.68793	1.4
57.03420	2.6
61.02913	2.8
67.05492	5.0
68.27650	1.6
69.03422	6.2
69.07056	2.4
69.85321	1.5
70.06596	2.0
71.04982	1.6
71.55925	1.4
79.05477	5.1
81.03413	3.9
81.07057	8.4
83.04961	2.6
83.08618	1.7
85.02908	14.1
86.09689	3.4
91.05457	6.5
93.07041	9.3
95.04951	2.5
95.08598	6.6
97.02879	4.2
97.06528	3.3
103.11253	1.6
105.03417	1.7
105.07018	11.0
107.08578	6.4
109.02858	2.0
109.06493	3.1
109.10140	4.9
111.08092	2.2
119.08599	9.6
121.02860	2.8
121.06470	3.5
121.10124	4.1
123.08005	2.6
127.03903	4.6
129.03357	8.1
129.06979	2.1
131.04936	2.4
131.08551	4.2
133.06476	2.2
133.10101	11.6
135.08014	2.2
135.11711	1.7
137.05945	6.8
143.08533	2.1
145.04935	1.9
145.10114	2.3
147.04442	2.0
147.08055	2.7
147.11714	7.9
149.09615	1.7
151.11157	5.4
157.10123	5.1
159.08037	2.5
159.11685	3.0
161.05936	4.7
161.09616	4.8
163.03888	2.6
163.11119	2.4
171.11623	1.9
173.09520	2.5
174.10376	6.7
175.11220	18.3
175.14871	3.5
177.12727	2.0
189.05473	66.9
189.16386	2.8
190.05904	2.5
191.03377	12.2
199.14742	2.8
202.42032	2.1
205.08655	1.6
217.15881	55.5
235.16917	100.0
305.08090	1.9
333.63712	1.5
342.62207	1.5
349.11752	2.9
349.61960	1.7
367.24869	1.7
395.83328	1.6
397.09479	1.8
397.18350	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	395.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78119	0.9
66.27178	0.9
70.52707	1.3
70.53059	3.1
79.74485	0.8
103.05460	2.5
110.60418	1.0
115.05463	2.5
118.04183	1.0
129.03362	14.0
131.04936	11.9
145.02866	2.3
159.04448	7.4
161.05992	3.3
165.07002	3.3
167.08479	0.9
175.07527	2.3
176.06255	1.2
177.06982	2.1
179.08580	2.9
189.05478	100.0
189.06931	5.6
190.05862	2.0
190.07799	3.4
191.08577	6.4
201.07039	2.8
202.07817	7.6
203.08591	3.4
205.04898	3.7
205.06563	4.7
207.08095	3.4
217.06526	1.3
217.10158	1.0
218.07291	3.5
219.08066	7.2
229.06497	6.5
230.07228	2.0
231.08072	3.5
233.05995	3.4
235.07593	2.4
245.06010	1.4
245.09627	1.5
246.06660	1.4
247.07579	7.7
257.06027	5.2
258.06830	1.4
259.07495	1.6
261.05539	2.0
261.09088	1.6
273.05426	1.0
275.07037	8.1
285.05466	3.7
289.08612	12.0
290.09399	4.1
293.08060	1.3
297.90106	1.0
303.06598	5.4
307.09692	2.9
317.08130	10.4
319.09769	1.3
321.07492	1.7
331.06076	1.9
335.09207	3.5
345.07788	1.9
349.06995	0.9
349.10663	18.7
350.11215	1.2
354.31567	1.0
363.08569	2.5
381.09598	1.3
395.11218	13.4
412.00031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29935	2.9
65.03938	3.1
69.48530	17.6
88.70821	3.1
91.09350	3.6
93.03374	3.5
98.97585	5.4
100.67831	2.7
106.17678	3.0
107.95182	2.8
121.02858	31.6
128.06184	3.1
129.03384	16.2
145.10080	3.4
149.02330	20.1
153.05467	13.9
177.06958	3.9
181.04916	6.6
189.05460	84.7
189.06970	4.3
190.07652	6.1
191.08556	5.7
200.06264	8.8
201.06921	20.5
202.07755	46.7
203.08505	10.1
205.06482	12.5
215.08604	4.7
217.06471	2.8
217.10130	9.5
218.07286	11.6
219.01706	10.9
219.08034	10.2
229.06458	100.0
230.07271	29.2
231.08046	9.8
233.05981	4.7
237.02748	9.3
245.09621	14.3
246.06868	14.4
247.07564	5.1
257.05951	77.6
258.06680	13.2
261.09195	13.1
263.07077	14.7
274.06244	5.0
275.06900	6.4
279.03885	5.6
280.25919	3.2
285.05453	75.9
289.05276	4.2
289.08560	85.4
290.09155	7.9
303.06570	16.8
317.08044	66.7
335.02856	13.4
349.10715	85.1
395.25684	3.6
403.89017	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	395.1122
Annotation	Chinensinaphthol methyl ether
Peak:m/z	Relative Intensity
56.36715	0.6
65.03918	1.6
69.21083	0.4
69.21423	5.0
70.78658	0.4
73.37395	0.5
81.03398	0.8
89.03932	0.7
91.05455	2.1
98.20748	1.0
103.05470	3.3
105.03375	1.1
106.90974	0.5
109.02902	0.5
114.15322	0.4
115.05454	1.3
118.04179	0.8
119.04921	0.7
119.08544	0.4
129.03366	13.4
131.04922	4.9
139.03899	1.8
143.04922	0.9
144.05704	3.7
145.02866	5.3
146.03619	0.6
147.04448	0.7
152.06238	0.6
153.07042	1.1
154.00763	0.5
159.04411	5.2
161.05983	4.5
165.06987	1.6
175.03932	0.7
176.04659	2.3
176.06194	1.0
177.05463	4.2
177.07040	2.0
178.07785	1.6
179.08569	1.9
181.06508	0.6
187.03903	3.2
189.05478	100.0
189.06929	5.7
190.05913	1.5
190.07784	5.7
191.06990	1.9
191.08548	11.3
192.09319	1.2
201.06990	1.3
202.06235	4.8
202.07846	3.2
203.03442	3.3
203.07027	5.5
203.08632	1.8
205.04919	5.2
205.06561	4.1
206.07236	0.9
207.08057	1.6
208.08832	0.7
209.06075	0.8
214.06177	0.6
217.04834	1.1
217.06549	1.6
218.07321	3.5
219.04759	0.6
219.08105	13.8
220.08778	1.1
221.05991	0.8
221.09625	0.5
226.06396	0.8
229.06540	2.9
230.07291	0.8
231.08083	2.5
232.08688	0.8
233.06096	2.8
235.07545	2.7
236.08269	0.5
239.07068	2.5
241.08717	1.0
245.06039	1.1
246.06776	1.8
247.07559	14.1
248.08281	1.7
249.05431	0.9
250.06216	1.1
251.07295	0.6
257.06046	2.4
259.07565	1.4
259.50037	0.5
261.05444	1.7
261.09134	0.6
263.07098	3.1
264.07819	1.4
265.08667	4.8
267.10236	1.7
269.08130	1.0
273.05444	1.3
274.06339	1.4
275.07028	13.0
276.07855	1.8
277.05865	0.6
277.08539	2.7
278.09387	1.1
279.10175	5.0
285.05475	1.5
289.08667	3.9
290.09238	1.1
291.06711	0.9
291.10159	1.3
292.07407	1.7
293.08118	3.3
302.05640	0.6
303.06531	7.1
304.07220	0.5
305.08157	1.9
306.08762	1.1
307.09607	8.1
316.07202	0.5
317.08118	5.4
318.08899	0.8
319.09763	1.9
321.07733	1.0
331.06046	3.1
335.09152	14.5
339.12323	2.0
345.07553	2.7
349.06879	0.6
349.10684	1.8
363.08618	32.7
365.10144	3.2
367.11786	4.2
377.10080	3.0
381.10144	0.7
395.11282	38.3
396.11688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54376	1.5
55.05516	12.4
57.07076	5.5
61.93804	1.4
67.05511	14.6
69.07067	29.0
70.04579	6.6
70.45282	1.4
71.08668	1.9
79.05488	11.2
81.07059	43.8
83.08622	12.1
91.05495	9.3
93.07040	20.6
95.04996	1.6
95.08609	63.1
97.10169	6.2
105.07034	29.3
107.08595	24.7
109.06498	2.1
109.10152	25.0
111.11700	2.2
117.07045	5.0
119.08582	30.1
121.10144	23.3
123.11712	13.5
129.06995	9.6
131.08571	12.7
133.10143	21.8
135.11670	11.3
137.13239	16.6
143.08569	12.8
144.09261	2.4
145.10133	16.5
147.11702	20.3
149.13258	32.5
157.10124	7.6
159.11702	14.7
161.13251	12.3
163.14824	29.5
171.11700	7.9
173.13269	23.0
175.14830	60.9
177.16399	13.1
185.13278	4.8
187.14824	28.9
189.16379	20.1
191.06752	1.8
191.18031	8.8
197.13431	2.1
199.14844	18.6
201.16441	11.7
203.17969	49.7
213.16370	43.5
215.17946	17.6
217.19559	4.1
219.20897	2.1
219.41284	1.5
225.16595	1.8
227.17902	9.9
229.19534	6.7
231.21019	10.1
238.25447	1.5
241.19533	29.1
241.21870	1.0
243.21060	11.7
255.21048	12.5
257.22690	2.2
266.24759	13.2
269.22595	4.4
272.43219	1.6
323.27078	2.3
364.82666	1.6
375.30020	8.1
393.30930	22.9
393.35150	100.0
394.35648	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49015	0.6
69.07060	1.8
69.94310	0.5
70.41241	0.5
71.54055	0.6
72.08164	5.7
83.06099	4.2
84.08134	1.0
85.04033	0.7
86.09722	1.2
91.05467	1.0
93.04526	3.8
95.06096	4.5
100.02325	0.5
101.03490	1.6
109.03951	0.5
110.07172	100.0
112.08743	0.9
115.08690	2.3
120.08112	6.2
121.08437	1.2
127.08681	5.2
130.06500	0.7
143.08167	38.8
155.08203	0.9
156.07697	42.8
173.09241	0.8
188.07054	2.7
211.14429	11.4
235.10767	1.6
238.18903	0.6
348.20264	2.7
376.19757	2.6
394.20874	45.7
395.21396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55059	0.6
55.05493	0.7
56.20425	0.7
67.05518	1.1
88.11554	0.6
95.08631	0.9
105.07065	1.0
109.57285	0.7
113.06685	0.7
119.08623	1.1
129.03375	18.5
131.04933	1.5
142.71069	0.8
161.06020	5.4
174.56032	0.7
189.05478	100.0
190.05978	1.2
194.03035	0.7
208.05696	0.7
273.56000	0.8
303.30081	0.7
363.08383	1.2
395.11295	1.0
398.90479	0.8
401.39996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.6
58.01894	0.8
67.05500	1.8
69.07073	1.5
70.19971	3.1
79.05479	1.3
81.07037	2.4
83.08616	0.9
90.45915	0.7
91.05463	1.3
93.07018	2.9
95.04999	0.9
95.08607	2.8
97.06498	0.9
98.20896	0.8
105.07043	2.4
107.08600	2.2
109.10165	1.0
117.07039	1.0
119.08608	1.5
121.02863	2.4
121.10137	1.0
129.03369	16.3
131.04921	1.9
131.08575	1.4
133.10129	1.1
135.07927	0.7
143.08592	1.1
146.03621	0.8
147.11694	1.0
149.02347	1.8
149.38805	0.8
153.05426	0.8
157.10158	0.9
159.11658	1.2
161.05971	5.4
177.06888	0.8
189.05467	100.0
190.05899	0.8
190.12030	0.7
201.06990	1.7
202.07690	3.7
219.08005	0.9
229.06464	6.6
230.07240	1.9
246.06741	1.1
247.07697	1.1
257.05923	5.8
258.06573	1.0
261.09131	1.0
263.07266	0.9
285.05423	4.7
289.08618	6.3
303.06726	1.2
317.08032	4.6
339.99646	0.9
349.10632	7.0
394.35370	1.8
395.25821	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	393.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.9
57.07062	5.0
64.35416	1.6
67.05500	12.0
69.07069	19.7
70.49219	4.7
73.34131	1.5
79.05491	7.3
81.07059	35.5
82.07516	1.3
83.08620	7.6
85.02895	1.8
91.05476	10.9
93.07037	18.4
95.04957	1.6
95.08608	50.3
97.10162	5.0
105.07040	23.4
107.08591	26.5
109.10157	24.2
111.11713	2.7
115.05415	1.5
117.06985	5.1
119.08582	27.2
121.10152	24.5
123.11722	11.5
129.07002	6.3
131.08578	9.0
133.10130	21.4
135.11688	11.9
137.13246	13.4
139.35184	1.4
143.08589	13.3
145.10126	13.3
147.11679	18.1
149.13255	36.0
157.10143	6.6
159.11703	14.4
161.13269	11.6
163.14825	26.8
169.10205	1.5
171.11714	6.6
173.13235	18.4
175.14832	51.8
177.16360	16.6
185.13295	1.9
187.14806	25.5
188.07106	3.1
189.16386	20.9
191.17996	8.5
198.00400	1.5
199.14764	13.2
201.16374	9.8
203.17964	48.3
205.19492	2.3
213.16379	45.8
214.16844	1.7
215.17957	22.8
217.19469	3.9
227.17975	10.8
229.19487	5.4
231.21039	7.1
241.19499	22.2
243.21117	11.2
255.21109	19.0
257.22592	2.9
269.22644	5.3
283.24258	2.4
393.35147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04938	0.9
53.03940	1.4
55.05514	6.7
55.13559	0.9
55.25579	0.9
57.07063	4.7
67.05183	1.1
67.05508	12.2
69.07072	16.5
74.59915	0.9
79.05499	5.8
81.06595	2.2
81.07058	37.5
83.08613	6.8
91.05466	7.4
93.07046	19.5
95.08609	54.5
97.10150	3.2
105.07039	19.9
107.08594	24.4
109.10154	24.5
109.10718	0.6
111.11713	1.9
114.15231	1.0
117.07001	2.4
119.08589	24.0
121.10140	18.5
123.11711	12.4
129.07019	2.8
131.08562	9.3
133.10130	18.5
135.11702	9.6
137.13260	14.0
143.08585	5.6
144.09381	1.3
145.10147	17.3
147.11702	12.5
149.13261	24.9
151.14772	1.7
157.10135	5.0
159.11700	26.4
161.13248	9.4
163.14818	18.3
171.11671	5.0
173.13263	10.3
175.14832	28.0
175.16316	2.1
177.16391	17.1
181.84019	1.1
185.13264	3.7
185.49879	1.0
187.14827	21.7
189.16385	12.7
191.17969	7.2
199.14851	6.3
201.16397	14.7
203.17975	24.3
205.19611	1.6
212.15503	0.9
213.16399	17.4
213.59079	1.2
215.17957	17.8
217.19580	6.7
219.21031	1.4
227.17958	5.7
229.19559	6.8
231.21092	4.3
241.19508	12.7
243.21124	10.7
255.21098	14.6
257.22723	2.9
269.22568	6.9
283.24313	1.4
297.25861	2.9
309.25659	1.5
323.27344	2.6
333.07477	1.2
393.35168	100.0
394.35654	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	393.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.4
57.07064	5.9
67.05505	21.8
69.07070	24.8
69.26013	3.4
69.26420	16.5
71.97365	2.0
79.05478	8.5
81.07058	52.5
82.06554	3.5
83.08610	11.1
91.05476	10.7
93.07056	18.1
95.08600	67.0
97.10159	3.9
105.07039	18.3
107.08598	29.2
109.06513	4.4
109.10143	26.1
111.11801	2.5
119.08578	24.3
121.10136	23.6
123.11708	12.8
129.07013	3.6
131.08548	9.7
133.10123	17.0
135.11710	11.1
137.13249	19.8
143.08540	7.9
145.10109	14.6
147.11685	18.9
149.13261	40.6
157.10048	5.3
159.11693	10.2
161.13219	12.7
163.14806	27.3
171.11728	5.6
173.13234	12.7
175.14835	44.1
177.16379	14.8
179.14278	2.1
187.14801	20.1
189.16333	10.5
189.48775	2.9
191.17949	7.8
199.14787	12.1
201.16359	11.2
203.17941	39.2
213.16373	39.8
215.17957	27.4
217.19496	2.4
227.17972	9.8
229.19368	3.6
231.21051	10.6
241.19502	17.7
243.21149	11.2
249.22128	3.6
255.21136	16.3
266.24789	41.0
269.22522	4.3
323.27145	3.1
345.26453	2.1
375.29999	30.1
385.02948	2.4
389.80905	2.3
393.30927	70.1
393.35132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55303	2.0
53.03937	7.2
53.30246	2.0
53.97703	2.3
55.01874	3.6
55.05506	18.6
56.40255	1.9
56.73381	2.2
57.07074	6.9
62.70266	2.0
65.03928	4.0
67.05502	28.6
67.94044	1.8
69.01134	1.9
69.03426	3.7
69.07068	14.4
69.20998	20.8
71.04974	2.3
79.05487	37.5
81.06592	3.6
81.07054	53.0
83.04971	7.4
83.08598	6.6
85.06537	3.2
86.31535	2.1
91.05477	45.7
93.07044	79.3
93.07642	4.0
95.04382	3.1
95.04969	48.4
95.08607	52.9
97.06522	12.4
103.05463	4.3
105.07028	100.0
107.08598	56.1
109.06535	17.5
109.10155	26.0
115.05469	3.1
117.07008	19.3
118.07745	2.2
119.08574	89.8
121.06518	17.1
121.10136	40.3
123.08057	6.7
123.11712	8.9
128.06221	11.0
128.64388	2.0
129.07018	14.2
130.07756	6.5
131.08572	37.5
132.09428	2.2
133.06450	2.7
133.10133	49.8
134.92120	2.2
135.08081	5.6
135.11688	23.2
137.09612	3.5
141.06960	7.3
142.07805	18.4
143.08549	34.9
144.09338	9.9
145.10127	56.8
146.07344	2.7
147.08020	5.0
147.11655	23.1
149.09552	2.4
153.06911	4.8
154.07721	2.3
155.08549	10.4
156.09384	13.8
157.10133	56.1
158.10892	6.0
159.08055	4.1
159.11693	37.1
160.08836	3.4
161.09647	21.9
161.13226	4.7
163.14923	2.5
167.08556	3.8
168.09230	2.3
168.37218	2.1
169.10104	21.0
170.10945	6.0
171.11664	22.2
173.13242	16.6
175.11205	8.6
175.14781	16.7
179.08559	6.6
180.09358	2.6
181.10052	10.7
183.11702	17.8
185.09630	4.1
185.13268	12.1
187.11192	8.3
187.14827	11.8
193.10159	6.2
194.10814	6.3
195.11700	9.0
196.12489	2.7
197.13239	16.9
199.14803	9.5
201.16379	8.8
203.14354	2.1
206.10942	3.2
207.11678	5.6
209.13248	13.5
210.14105	3.2
211.14777	9.2
213.12643	2.6
213.16325	5.5
221.13205	4.5
223.14856	7.8
225.16367	4.6
233.13298	2.3
235.14864	7.1
237.16441	3.2
239.14183	3.9
241.19287	2.6
241.43214	2.2
253.15889	7.0
253.19527	4.6
265.19269	3.2
267.20908	3.3
281.18991	3.3
283.20569	2.3
355.68317	2.3
375.26675	5.1
376.25558	2.3
393.27847	11.2
405.11179	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1393
Annotation	Cachineside IV
Peak:m/z	Relative Intensity
50.21649	3.7
56.96573	10.4
60.04510	4.6
61.02940	4.4
67.05506	5.2
69.03418	18.8
70.06599	6.3
71.01377	4.6
71.55035	6.4
72.08129	4.5
73.02911	5.8
78.25713	5.5
79.05483	10.8
81.03382	8.7
81.07053	5.7
85.02923	40.7
87.59290	4.2
91.05476	33.1
93.07050	19.7
95.04993	4.2
97.02897	17.1
98.97574	33.5
99.04446	5.1
103.05470	13.3
105.07040	10.1
107.04940	10.7
109.02930	6.7
109.06513	5.3
110.97594	5.3
116.98614	12.0
119.04969	34.2
121.06530	32.3
127.03909	19.3
128.00699	3.9
128.98560	6.5
131.04938	7.7
133.06500	11.2
135.04439	21.7
136.06175	5.0
137.05948	4.9
145.02948	4.2
145.05008	6.3
147.04405	37.3
149.04916	7.9
149.05995	58.5
151.07504	8.1
158.99661	18.1
161.05986	6.7
163.03918	16.3
167.07048	21.0
170.99663	7.3
175.03972	15.7
177.00722	11.7
177.05484	64.6
179.00154	4.6
179.07063	4.4
189.00748	5.1
189.05452	25.9
191.03816	9.2
193.04971	7.0
195.06552	100.0
200.04434	6.9
201.00766	8.7
205.01833	4.3
207.06537	10.2
213.04222	6.5
213.07578	62.8
219.01866	24.0
225.07648	7.0
231.08630	67.5
237.02884	11.2
252.04559	4.4
261.02832	11.8
279.03824	5.7
294.06842	5.0
303.07269	10.3
312.07608	4.5
393.09344	6.3
393.13736	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96000	0.4
68.05040	1.8
69.80441	1.0
69.80846	1.0
70.06599	0.4
70.61469	0.3
74.39124	0.3
76.87512	0.3
81.03382	0.4
81.07036	0.5
85.02896	0.7
85.56798	0.3
86.09645	0.4
87.98613	0.4
91.05485	0.6
93.07014	0.6
98.21504	0.5
98.97598	0.6
110.06104	0.4
117.06960	0.4
120.08127	0.4
124.05034	0.5
130.05006	0.5
138.30113	0.4
140.03430	1.1
145.02808	1.1
147.04373	0.6
149.04628	0.5
151.03813	0.4
163.03897	0.6
166.07246	0.5
168.42387	0.4
172.06148	0.4
177.05501	1.4
188.09351	0.4
189.06505	0.8
201.06477	1.1
202.07242	2.2
203.08032	1.3
204.08847	6.3
214.07170	0.8
215.07991	1.5
216.08810	100.0
217.09596	2.9
218.10373	5.9
218.82133	0.4
225.06464	9.3
226.07195	3.2
227.07944	1.1
228.08887	0.9
229.09482	0.8
230.10378	10.2
240.08806	55.6
241.09596	1.9
246.09880	7.4
251.09235	0.7
255.09807	0.6
258.09909	2.7
268.08325	4.9
272.11420	4.3
273.14478	0.4
283.09396	1.0
286.09259	0.4
300.10919	51.5
301.10934	0.6
311.08911	0.6
315.11966	0.7
322.07758	0.4
328.69415	0.4
333.13110	3.0
339.25949	0.4
340.68124	0.4
343.11536	2.4
361.12515	6.1
375.14188	6.1
393.15176	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.05502	1.0
56.96556	0.6
67.05495	1.5
69.07056	0.9
69.66509	1.7
69.66927	1.1
79.05488	0.9
81.07051	1.8
83.08620	0.5
87.14318	0.4
91.05479	1.3
93.07024	1.8
95.08591	1.8
105.07021	2.6
107.08582	1.6
109.10143	1.3
110.30274	0.5
117.06993	0.9
119.08573	2.5
121.10120	1.2
131.08554	1.2
133.10135	1.6
135.11717	0.6
142.07782	0.6
143.08543	1.1
144.09247	0.5
145.10118	3.5
147.11638	1.5
149.13258	0.9
149.49571	0.5
157.10144	1.7
159.07990	0.7
159.11711	3.0
161.13246	0.7
171.11679	1.2
173.13225	1.2
185.13239	0.9
187.14934	0.6
195.11772	0.5
197.13266	0.7
199.14842	0.5
209.13281	0.6
213.16394	0.5
271.69882	0.6
375.26639	0.8
393.26089	100.0
394.26398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1369
Annotation	Shermilamine E
Peak:m/z	Relative Intensity
69.03429	0.8
71.05953	0.8
83.25541	0.3
83.75404	0.3
85.02917	0.9
91.05468	0.6
92.23173	0.3
97.02859	0.7
98.97582	1.3
101.00859	0.6
102.72129	0.3
110.97604	0.4
113.00882	0.7
115.02473	0.4
119.01939	0.6
119.04935	0.6
127.02454	0.6
131.01883	0.8
131.21129	0.3
133.03499	0.5
143.01781	0.4
145.03397	0.5
145.05019	0.4
147.04410	0.9
152.84726	0.4
155.01920	1.6
158.99646	1.0
159.05055	1.0
161.02972	1.0
168.52428	0.4
171.05019	1.5
173.02986	0.7
173.06635	0.5
177.06018	0.4
182.99651	0.3
185.02928	0.5
189.05852	0.7
192.67574	0.4
201.00777	0.6
203.03978	0.7
207.06639	0.6
219.01791	0.5
221.05093	1.4
225.07785	0.4
239.13858	0.3
261.09326	2.4
279.04068	0.7
279.09256	5.5
303.07394	0.6
393.13672	100.0
394.14075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1392
Annotation	Shermilamine E
Peak:m/z	Relative Intensity
51.98586	2.9
53.03938	5.1
61.02956	3.2
69.03419	5.9
69.69058	8.5
69.69486	9.6
72.57697	2.8
73.04163	2.7
79.05479	7.5
81.03410	2.9
81.07049	5.3
83.04971	2.9
85.02912	20.9
88.07643	3.5
91.05475	12.5
93.07048	13.3
95.04987	5.7
97.02890	7.3
98.97591	8.7
103.05449	5.4
105.07029	9.1
107.04937	6.8
110.97565	3.0
116.98626	5.3
121.06510	52.5
127.03878	5.0
129.10391	2.8
131.04897	3.0
135.04398	39.6
136.06200	2.6
149.05984	77.6
154.11183	2.9
158.99640	6.1
163.03944	5.0
167.07065	21.9
175.04005	3.5
177.05473	100.0
189.05426	4.5
195.06523	71.5
213.07558	17.3
219.01834	8.9
231.08685	12.6
231.14104	3.7
237.02907	5.1
244.25787	3.3
279.07532	7.6
281.59995	3.2
294.07672	3.9
312.07709	3.4
340.08218	5.2
340.36417	2.8
381.49948	2.8
393.11130	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	392.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.3
55.05508	1.8
57.01917	1.2
57.07069	6.1
60.55271	1.3
61.02919	3.7
63.15482	1.4
65.52323	1.2
67.05489	3.5
69.03429	7.7
69.07060	3.9
70.42574	4.3
71.04978	1.5
73.02886	1.6
75.33603	1.2
79.05498	31.9
81.03413	2.7
81.07049	5.8
83.04979	8.4
85.02903	27.7
85.03397	2.7
86.09686	3.1
91.03976	1.5
91.05470	6.6
93.06492	2.2
93.07048	32.0
93.07638	1.6
95.08608	4.1
97.02895	4.8
97.06542	6.8
99.04456	1.5
100.73022	1.3
105.06992	2.5
107.04967	6.3
107.08598	14.9
109.02840	3.2
110.13268	1.2
112.70655	1.4
119.08632	1.4
120.08094	2.2
121.06472	2.2
125.06005	18.3
127.03902	3.5
131.04869	1.3
133.10129	9.8
135.08063	3.5
135.11696	100.0
139.07518	11.2
145.04958	4.1
149.02393	1.5
149.13277	8.7
153.09122	8.3
153.12738	3.2
159.11655	3.0
177.12750	15.6
180.08742	2.3
181.08586	4.8
195.13814	92.9
213.14957	1.4
221.55495	1.2
253.82285	1.4
352.45587	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56441	0.3
60.11736	0.4
61.02918	0.3
69.03435	1.0
69.55116	1.4
69.55523	0.9
73.02935	0.5
85.02903	1.7
97.02914	0.5
101.00930	0.4
127.03913	0.6
145.04988	0.6
157.03456	0.4
184.55931	0.4
193.06378	0.6
203.05270	0.4
223.06635	1.0
231.04958	0.8
261.09442	2.1
265.07736	1.3
279.09506	0.5
293.01608	0.4
393.13739	100.0
394.14114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	18.0
56.96566	1.6
57.03422	3.3
57.07062	1.9
58.06602	8.1
69.03436	3.2
70.06591	2.4
71.08627	2.8
71.54666	2.3
72.08140	2.4
72.27033	1.3
74.06085	67.0
76.76717	1.2
81.03419	1.8
84.04510	12.8
84.08124	2.3
85.02895	4.7
86.06053	2.6
86.09714	55.5
91.05487	3.1
98.09702	3.9
98.97565	2.1
101.07152	24.0
102.05515	2.2
119.04937	2.6
123.04468	1.4
124.03923	1.6
126.12796	2.2
136.06224	1.9
137.05984	1.9
138.06274	2.5
142.12288	12.2
143.11803	9.3
147.04410	4.0
149.02348	29.9
149.05910	1.6
152.10703	1.5
159.07657	13.6
163.03847	2.8
165.05516	1.4
167.03352	3.2
169.13329	1.4
175.03941	2.1
177.08716	57.9
187.07170	2.8
187.14426	100.0
189.00919	1.4
189.05530	2.7
215.13918	33.2
234.99063	1.6
237.02861	2.7
272.15985	5.4
312.15552	2.0
316.18625	5.4
320.25873	1.3
373.20850	17.6
391.00903	2.0
391.19473	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
56.96562	1.1
57.07075	0.6
58.99858	0.4
61.02916	0.8
61.83354	0.4
64.25928	0.3
67.05503	0.9
67.48653	0.4
69.07053	1.3
69.77203	0.4
70.06574	1.8
71.08616	0.7
71.27009	0.7
73.02924	0.4
79.05501	0.8
81.07053	1.0
85.02893	0.6
91.05492	0.5
93.07017	0.5
95.08616	0.8
97.02862	0.6
98.97555	0.5
109.10166	0.7
117.17072	0.4
127.03897	0.5
142.06287	0.4
145.10107	0.6
149.02336	2.0
167.03419	0.4
176.86125	0.4
245.93451	0.5
253.07516	0.7
269.12375	1.5
270.12720	0.5
271.08490	0.8
289.09625	0.7
321.16699	1.6
329.32339	3.0
391.24548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1577
Annotation	Chidamide
Peak:m/z	Relative Intensity
51.08445	0.3
70.79179	0.6
70.79488	0.4
79.05531	0.4
98.21563	0.3
119.04929	0.5
147.04430	0.9
149.02338	3.0
158.99652	0.4
163.03931	0.7
172.75714	0.3
259.11551	1.1
275.07382	0.4
284.82364	0.4
326.41049	0.4
351.89203	0.4
391.15683	100.0
392.16068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.23
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85746	1.2
55.05511	2.6
56.96564	4.2
61.02921	1.7
67.05508	6.5
69.07063	3.0
69.40028	10.0
73.02901	2.2
79.05482	5.8
81.03405	1.8
81.07052	7.4
83.08617	2.6
85.02925	2.7
91.05453	3.0
93.07022	8.2
95.04938	2.0
95.08600	7.7
97.02895	2.7
98.97638	1.9
101.07992	1.7
105.07022	7.3
107.08588	12.3
109.06556	1.8
109.10137	3.6
119.08561	4.5
121.10131	6.5
123.08054	1.7
125.01045	1.4
125.09534	1.4
131.08586	3.3
133.10126	4.9
135.11688	3.1
137.05978	4.0
141.61026	1.5
143.08539	1.9
145.10123	4.0
147.11708	3.4
149.13300	1.8
150.59712	1.4
153.09152	1.3
159.11684	2.9
161.13240	2.6
169.08766	1.3
171.75551	1.2
173.13257	2.4
177.12791	2.6
187.14799	1.6
189.03659	1.1
189.05457	5.9
271.20706	1.7
313.21735	5.2
328.09610	1.9
331.22607	2.9
389.12106	5.8
389.22983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	48.8
67.05505	2.6
69.07050	2.5
69.69550	8.4
70.06590	3.7
71.95248	4.9
79.05486	2.8
81.03409	2.9
81.07043	5.0
83.87241	1.4
84.96035	2.3
85.02914	2.1
88.07620	3.4
93.07016	1.6
95.08588	1.7
97.02901	1.6
97.06520	1.7
97.96805	1.8
98.97583	2.4
109.10136	1.8
110.97576	5.3
114.09177	1.8
115.00687	1.9
115.02356	1.7
128.98601	4.5
132.10228	6.6
137.02744	2.1
137.05981	21.3
139.00645	2.5
145.06567	1.6
146.99644	2.8
153.02234	2.5
155.01924	2.4
157.01682	1.5
167.03781	2.2
171.03307	6.0
173.02934	3.0
177.09033	1.6
181.05330	2.7
183.03363	2.1
183.06772	1.7
185.04846	9.0
189.04030	3.1
189.05641	11.9
190.05815	13.4
194.13799	1.9
195.06937	2.5
197.04866	2.7
199.06427	10.5
203.05901	7.2
209.04880	2.1
211.06436	5.0
213.07961	17.4
213.09828	1.8
217.05678	1.5
217.07480	9.8
221.08559	1.7
222.08096	2.0
225.08055	8.0
227.09561	4.1
229.07468	3.0
231.07039	1.9
231.09059	13.0
236.09477	2.1
237.07959	3.6
239.09506	6.2
243.09077	6.7
245.10704	4.2
249.07896	8.0
251.09514	19.8
255.09047	24.2
257.10632	2.8
267.09045	42.6
269.10541	100.0
270.10818	1.7
273.10074	13.9
278.10748	3.8
279.09106	2.3
284.29251	1.7
285.10086	42.4
287.11670	25.6
289.03979	2.0
290.10641	5.6
292.12161	16.6
296.11777	1.8
303.11313	2.0
308.11703	5.8
310.13275	3.2
331.15707	10.6
349.16791	30.0
355.15427	2.9
367.07642	1.9
367.17953	64.9
372.18546	4.6
385.18970	4.0
390.10269	12.9
390.19400	14.8
390.27478	1.8
390.35812	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.217
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
54.68032	4.6
55.01870	4.1
55.05512	6.4
57.03424	8.4
57.07090	3.5
67.05502	9.3
69.03416	9.2
69.07065	9.4
70.06581	11.2
70.80357	5.4
70.80689	4.8
71.04975	9.0
72.08174	7.1
76.11256	3.2
79.05486	9.0
81.07049	13.8
83.04967	5.6
83.08620	7.0
85.02907	16.8
85.06543	4.1
86.09707	28.0
91.05476	11.0
93.07056	14.5
95.04971	55.2
95.08582	11.1
95.51974	3.2
97.02910	3.7
97.06539	21.7
99.04432	20.0
99.08094	7.0
103.05496	3.5
105.07014	18.7
107.08604	20.9
109.06509	29.7
109.10147	11.3
111.08060	5.6
111.97904	3.5
118.06566	3.1
119.04947	4.4
119.08573	11.2
121.06476	4.5
121.10143	19.2
122.10441	3.4
123.04453	8.0
123.08072	11.0
123.11713	3.2
125.09639	6.9
126.73689	3.0
131.08612	8.8
133.10130	45.4
135.08055	5.5
135.11693	7.9
136.07654	3.8
137.05972	9.4
137.09592	3.3
139.11168	5.6
145.10112	5.9
146.05997	9.2
147.11681	23.7
149.09642	6.2
149.13342	3.5
151.11200	5.6
153.05632	3.2
153.09106	34.9
157.13339	8.6
163.14810	9.2
165.12772	8.9
167.07042	7.4
171.10100	5.5
173.13281	25.2
177.05402	3.6
181.04958	9.3
188.07059	14.1
191.14322	50.2
192.14595	5.8
205.09711	6.6
209.08040	5.7
209.15385	100.0
219.10104	3.7
224.09325	4.2
225.09436	4.9
227.14149	4.3
227.16417	82.4
272.87982	3.3
305.05698	3.6
371.14722	4.2
389.14001	16.7
389.21255	4.0
389.70227	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	389.23
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85746	1.2
55.05511	2.6
56.96564	4.2
61.02921	1.7
67.05508	6.5
69.07063	3.0
69.40028	10.0
73.02901	2.2
79.05482	5.8
81.03405	1.8
81.07052	7.4
83.08617	2.6
85.02925	2.7
91.05453	3.0
93.07022	8.2
95.04938	2.0
95.08600	7.7
97.02895	2.7
98.97638	1.9
101.07992	1.7
105.07022	7.3
107.08588	12.3
109.06556	1.8
109.10137	3.6
119.08561	4.5
121.10131	6.5
123.08054	1.7
125.01045	1.4
125.09534	1.4
131.08586	3.3
133.10126	4.9
135.11688	3.1
137.05978	4.0
141.61026	1.5
143.08539	1.9
145.10123	4.0
147.11708	3.4
149.13300	1.8
150.59712	1.4
153.09152	1.3
159.11684	2.9
161.13240	2.6
169.08766	1.3
171.75551	1.2
173.13257	2.4
177.12791	2.6
187.14799	1.6
189.03659	1.1
189.05457	5.9
271.20706	1.7
313.21735	5.2
328.09610	1.9
331.22607	2.9
389.12106	5.8
389.22983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.05500	5.1
57.03438	3.0
59.91080	1.6
62.94859	1.6
64.66710	1.5
66.40565	1.7
66.61183	1.4
67.05489	5.6
69.03411	5.0
69.07076	8.0
69.58543	7.8
69.58952	2.5
71.04990	3.1
71.76349	1.7
75.08221	1.6
79.05469	7.1
81.03443	1.7
81.07071	14.3
83.04970	6.2
83.08607	2.2
85.02885	11.2
85.06522	7.1
86.09686	2.3
91.05471	6.4
93.07046	19.9
95.04944	5.7
95.08610	20.1
97.06510	4.8
97.10149	2.6
99.04462	4.4
99.08095	17.1
105.07044	9.3
107.04933	6.9
107.08594	37.6
109.06541	10.4
109.10165	11.0
111.08075	5.0
117.06956	2.3
119.08555	6.1
121.06506	15.6
121.10155	30.5
123.08056	17.3
123.11740	2.5
125.05977	2.5
125.09637	6.3
131.08646	11.3
133.10104	15.5
135.08058	13.2
135.11690	4.2
137.09598	5.9
139.07533	2.1
139.11186	2.2
145.10106	4.0
147.11674	9.5
149.09627	50.8
149.13277	16.0
151.11188	18.2
153.09158	4.7
158.10904	2.3
163.11215	3.5
163.14833	25.6
167.07071	1.7
173.13251	24.9
179.14320	5.0
185.11795	1.7
191.14299	57.4
209.15369	100.0
210.21509	1.9
227.16393	5.7
337.09982	1.9
378.72388	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
51.22422	2.3
55.01871	2.5
55.05514	3.6
56.77663	2.1
57.03420	2.9
58.70764	2.1
59.05011	2.8
67.05506	7.7
69.03429	4.9
69.07078	6.4
70.71009	5.7
71.05016	2.9
79.05509	3.8
81.07051	13.9
83.04988	5.0
83.08624	2.8
85.02879	5.5
85.06536	4.7
91.05486	4.9
93.07065	16.0
95.04961	3.5
95.08605	18.3
97.06540	5.5
99.08105	13.7
105.07014	10.2
107.04942	5.0
107.08601	39.3
109.06513	8.9
109.10157	13.5
111.08087	4.4
119.08598	4.5
121.06525	16.2
121.10160	29.3
123.08067	16.5
123.11694	3.8
131.08580	7.0
133.10130	15.1
135.08047	13.3
135.11748	3.1
137.09586	4.4
144.65355	2.4
147.11703	8.3
149.09631	58.6
149.10782	5.1
149.13240	17.4
151.11131	16.8
153.09116	5.1
163.11180	3.3
163.14827	30.4
170.11710	2.4
173.13295	23.5
191.12695	4.6
191.14325	66.0
209.15378	100.0
227.16591	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	389.2172
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
52.03192	0.4
55.01864	0.4
55.05503	0.9
56.55016	0.3
57.03424	0.6
61.61282	0.4
67.05507	0.7
69.03426	2.0
69.07068	0.9
69.28991	1.7
69.29430	1.6
71.04993	1.3
79.05495	1.5
81.03432	1.1
81.07067	1.8
83.04984	0.5
83.08614	0.6
85.02911	5.7
85.06518	0.6
91.05478	0.8
93.07034	3.4
95.04958	1.6
95.08621	1.8
97.02893	1.6
97.06541	1.0
98.21522	0.8
99.04477	2.0
99.08124	0.5
101.32078	0.4
105.07024	2.3
107.08620	3.1
109.02905	0.5
109.06525	2.1
109.10150	1.4
111.08049	0.4
113.05946	0.4
119.08602	1.1
121.10154	5.0
123.08080	0.4
123.11705	0.6
125.09624	2.5
127.03933	1.1
131.08580	1.1
133.10121	3.0
135.08049	1.4
135.11656	0.7
137.09628	1.1
139.11168	1.4
145.04964	1.2
145.10136	0.5
147.11693	1.6
149.09625	100.0
150.09944	1.1
151.11180	2.1
153.09111	1.5
154.91429	0.4
163.14830	1.4
165.12787	0.4
166.89279	0.3
173.13251	1.5
191.14314	8.1
209.15379	17.6
209.17365	1.0
227.16418	5.3
247.41043	0.4
389.21259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.217
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.05509	5.0
57.15696	1.0
61.02882	1.5
67.05500	2.8
69.03432	12.0
69.07063	3.7
69.28745	5.8
69.29164	3.8
79.05501	1.9
81.07052	4.5
83.04984	5.3
83.08607	3.4
85.02908	3.8
85.06510	1.8
86.42937	1.1
92.70496	1.1
93.07052	5.6
95.08610	5.9
97.06557	1.7
97.10141	3.9
99.08081	4.1
103.05506	1.1
105.07025	2.2
105.38125	1.1
107.08604	14.2
109.06509	4.2
109.10150	5.9
111.08076	4.9
113.06002	1.4
115.75664	1.3
118.73624	1.0
119.08551	2.2
121.10165	11.4
123.11700	1.6
125.05997	2.5
125.09631	48.6
131.08546	1.3
133.10132	3.5
135.08028	5.1
135.11674	3.3
137.09598	1.7
139.07504	2.6
140.99687	1.3
147.11685	2.0
149.09624	57.7
149.13223	5.9
151.11183	12.7
153.09108	12.1
154.09903	1.8
158.10866	1.5
163.14854	6.8
165.12708	1.6
167.10698	1.2
173.13251	4.5
191.14305	27.7
209.15370	100.0
210.15675	1.5
227.16389	9.0
278.50522	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2173
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.05514	5.6
57.03423	3.2
63.96436	2.3
65.85722	2.3
67.05505	4.3
68.99770	2.6
69.03442	14.7
69.07059	5.8
70.06598	2.7
70.93759	5.7
71.04993	6.9
72.08171	12.0
79.05482	10.6
79.81253	2.2
81.07051	8.5
83.04977	6.4
83.08615	3.3
85.02916	15.1
85.06532	7.3
86.09713	16.4
91.05473	6.2
93.07036	10.7
95.04969	7.8
95.08601	10.2
97.02873	6.1
97.06546	5.9
97.10215	3.0
98.97585	7.3
99.08091	7.8
105.07030	5.9
107.04951	2.3
107.08600	16.7
109.06519	7.4
109.10149	6.6
111.08070	5.2
113.06017	2.3
119.08569	4.5
121.10117	15.1
123.04471	2.5
123.11684	3.4
125.09641	45.6
127.03917	4.3
131.08582	5.2
133.10152	12.3
135.08054	8.0
135.11688	3.7
139.03877	2.5
139.11121	2.8
145.10107	3.4
147.04395	4.0
147.11729	4.4
149.05989	2.3
149.09628	54.5
149.13283	7.9
151.11166	9.5
153.09094	19.8
154.09831	2.8
158.99611	2.5
163.03923	6.2
163.14819	6.6
165.12805	2.7
173.13217	8.3
188.00363	2.3
191.10681	3.8
191.14320	35.7
195.07872	3.2
207.06580	2.6
209.11794	8.7
209.15370	100.0
215.63208	2.2
225.07669	2.6
227.12828	4.5
227.16470	16.8
322.99359	2.4
389.18121	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1809
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03917	4.3
55.01880	5.2
55.05502	7.9
57.03419	8.1
57.07055	3.9
57.98574	3.9
60.86988	3.3
62.57284	3.8
65.03947	3.5
67.05508	20.2
69.03428	8.5
69.07059	8.4
70.06573	4.6
71.04992	19.6
71.55441	7.3
72.08160	6.9
74.06047	3.9
79.05488	28.4
81.03400	7.6
81.07053	16.5
83.04971	8.3
83.08627	5.8
85.02901	21.7
85.06547	100.0
86.09717	23.1
89.06036	6.5
91.05486	29.1
93.07059	28.8
95.04969	32.9
95.08601	13.5
97.02852	5.0
97.06514	14.0
98.97583	7.1
99.04451	8.2
99.08096	12.2
105.07049	25.2
107.04971	15.2
107.08598	40.2
109.02895	4.0
109.06502	15.9
109.10143	8.8
110.07224	3.8
111.04427	8.5
111.08059	5.8
112.92136	4.0
113.03040	3.8
116.06252	4.1
117.06975	5.6
119.08593	22.3
121.06536	19.3
121.10139	33.4
123.08055	8.5
123.11711	5.4
125.05977	6.8
125.09605	6.3
127.03929	4.3
129.06978	4.4
131.08562	58.1
133.10129	21.9
134.08966	3.6
135.08044	9.9
135.11699	8.7
137.06006	5.8
137.09608	9.5
140.64467	3.9
143.63512	4.6
145.10112	31.2
147.11687	13.6
149.05975	9.1
149.09621	67.4
149.13222	8.9
151.11208	9.6
153.05563	5.3
153.09123	21.7
163.11165	16.0
163.14822	6.6
165.09131	8.6
167.06979	6.8
167.10716	26.9
173.09612	8.0
173.13193	15.2
177.05458	8.1
189.12364	5.6
191.10666	59.6
191.14267	29.8
193.04967	7.6
209.08136	6.2
209.11743	83.2
209.15346	66.3
218.10510	4.0
227.12805	85.4
227.16266	28.7
389.17850	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	389.1596
Annotation	Simulanol
Peak:m/z	Relative Intensity
52.81173	1.7
55.01873	33.1
55.05500	2.8
56.96582	1.8
64.14264	1.6
65.03941	7.6
67.05502	7.2
69.03427	5.8
71.04963	2.0
71.56232	3.5
79.05493	6.2
81.07053	4.6
82.04191	2.8
84.08140	2.1
85.02892	11.6
86.09688	2.3
91.05487	8.9
93.03418	2.4
93.07047	4.7
94.04125	2.2
95.04990	6.1
95.08620	3.8
97.02908	2.4
97.06548	2.9
98.97579	2.0
103.05479	11.6
105.07024	5.2
107.04946	15.9
107.08612	4.0
109.06519	2.2
109.10184	2.8
110.03647	4.6
111.04440	3.6
115.05447	2.4
117.07006	4.8
119.04938	2.1
119.08606	3.5
121.06535	5.5
121.10181	5.0
122.03664	5.5
123.04446	11.4
123.08088	1.8
123.11731	2.3
124.05246	2.0
128.06227	5.1
129.07019	19.2
131.04921	15.8
131.08606	10.3
132.73918	2.2
133.10127	3.9
135.08052	2.3
136.05339	2.1
136.46446	1.7
137.05980	53.2
138.03093	2.6
139.03911	5.6
140.04700	3.0
141.06982	11.2
142.02634	2.5
143.08589	3.0
145.06503	8.0
147.04393	4.3
149.05975	11.0
149.09639	2.3
151.03914	2.9
153.05460	4.7
157.06503	18.3
157.10085	3.2
158.07310	6.5
159.08060	8.3
160.05190	6.2
161.05930	3.7
163.03917	2.7
163.07542	7.9
167.07042	28.4
169.06512	5.4
170.07167	2.5
171.06485	9.0
171.11685	2.7
174.06779	23.5
175.07588	14.3
177.05479	29.4
181.04961	77.4
183.06538	13.6
186.06749	4.7
187.07504	8.1
188.08301	2.7
189.07280	2.0
189.09102	49.0
189.10768	4.0
191.10809	2.4
201.09109	20.0
205.08630	2.8
207.08147	2.5
209.06090	2.4
209.08076	49.8
209.09926	2.8
209.15324	4.7
211.86069	2.1
217.06468	4.6
217.08649	5.7
218.07300	7.8
219.08150	7.6
219.10143	100.0
221.07997	4.1
231.08157	3.4
231.78073	2.0
233.05969	3.9
233.09653	5.3
234.06781	7.2
235.07556	4.7
235.09746	4.5
245.05968	2.5
246.06766	3.5
247.07555	4.3
248.08411	4.8
249.09081	12.8
250.09917	3.1
251.10724	4.4
260.08417	2.4
261.09076	14.0
262.06299	4.3
263.06998	2.8
265.08636	4.5
276.07886	3.1
277.08557	32.0
278.09286	5.2
279.10147	8.3
281.11697	3.2
290.09424	4.1
291.10229	4.5
293.08655	2.3
293.11890	6.3
294.08893	2.3
306.08981	1.9
307.09708	3.6
309.11108	10.2
311.12854	4.0
321.11221	6.3
339.12238	38.8
341.13861	4.9
353.13931	4.0
359.14758	3.8
371.11072	1.9
371.14893	50.1
389.15961	57.0
389.20755	4.4
390.16553	2.6
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	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
53.03930	1.8
55.01873	32.4
65.03944	9.9
67.05511	5.3
69.03442	1.8
69.48643	6.5
70.06550	1.0
77.03921	1.2
78.04707	1.1
79.05499	5.9
82.04194	2.2
85.02908	5.3
91.05484	13.3
93.03401	3.2
93.07024	1.2
94.04186	2.1
95.04955	4.8
97.02934	1.0
97.06555	3.1
103.05470	15.6
105.07040	2.3
107.04967	9.4
107.08570	1.0
108.02119	1.2
109.06525	1.2
110.03670	3.5
111.04490	1.6
115.05435	2.3
117.03405	1.1
117.07015	1.9
121.06507	5.3
122.03645	3.8
123.04466	4.8
125.05997	2.5
128.06233	2.2
129.07022	11.2
131.04927	18.6
131.08571	1.7
137.05988	36.5
138.03116	1.8
139.07596	0.9
140.04659	1.0
141.06975	1.7
142.02638	3.8
145.06477	4.8
149.02390	0.9
149.05986	9.4
151.03957	1.0
151.07597	1.3
153.05461	5.4
155.07054	1.4
157.06491	7.7
159.04413	2.2
160.05237	3.6
161.06012	2.9
163.03931	1.3
163.07571	6.0
165.05423	1.1
167.07034	21.1
171.06531	4.3
172.05222	1.1
173.05943	0.8
174.06778	5.3
175.07571	14.1
177.05476	33.0
177.09187	1.0
181.04958	100.0
183.06577	4.5
183.55627	0.9
185.05873	1.2
186.06808	1.3
187.07582	3.6
188.08345	1.6
189.09099	15.2
191.07057	2.5
191.14418	1.0
198.56870	0.9
201.09106	2.6
203.08537	1.2
205.08585	2.5
206.07214	1.0
209.08092	59.4
209.15425	1.2
217.06691	1.7
217.08513	7.0
218.07179	2.0
219.08104	2.6
219.10202	8.9
221.08092	2.9
231.08031	1.8
233.09650	1.2
234.06749	3.4
235.07652	1.8
235.09770	2.7
247.07613	2.0
249.06001	0.9
249.09099	3.9
261.09088	4.8
263.07059	1.2
265.08688	1.2
277.08536	8.2
278.09454	2.5
279.09940	1.7
291.10120	1.3
293.08279	1.1
293.11902	2.5
303.46518	1.1
307.09558	1.3
309.11258	3.5
311.12778	1.4
321.11227	2.6
325.10837	1.3
329.13791	1.6
339.12292	9.8
341.13788	2.9
353.14334	1.2
353.60162	1.0
359.14926	2.8
371.10535	1.5
371.14938	16.9
389.15982	69.0
412.67480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1231
Annotation	3'-Demethylnobiletin
Peak:m/z	Relative Intensity
69.92809	1.1
69.93244	0.6
76.10426	0.3
90.47233	0.3
98.21667	0.3
107.01334	0.3
108.02094	1.2
136.01576	1.3
137.02327	1.2
149.05920	0.5
154.02632	0.6
177.05473	4.3
183.02985	0.3
183.08102	0.5
189.05515	1.2
192.07791	4.9
193.08580	0.9
195.06581	1.5
197.06088	0.6
211.07571	0.4
214.06296	0.4
225.05592	0.8
229.08559	0.6
238.06427	0.6
239.07054	1.3
242.05743	0.5
253.04959	0.8
254.05719	0.5
255.06618	0.5
257.08060	1.0
266.05850	1.4
267.06516	6.8
270.05280	2.4
282.05359	0.8
283.06042	1.0
284.06964	2.0
285.04672	0.4
285.07532	2.9
294.05145	1.0
295.06003	6.3
297.07697	0.3
298.04752	3.9
298.08026	0.7
299.09207	1.5
300.09940	2.0
302.07758	0.3
310.04837	0.7
311.05389	0.5
312.06223	2.7
313.07028	2.6
322.04620	0.5
326.04324	2.0
327.08676	0.7
328.09396	24.9
330.07394	0.5
331.08197	2.2
340.05722	1.6
343.08087	8.9
344.04987	0.4
345.09766	1.7
355.08173	2.8
356.08905	19.4
358.06949	0.4
359.07608	7.1
360.07962	0.6
369.74298	0.4
373.09171	4.8
374.09973	5.5
389.12314	100.0
390.12717	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01886	1.9
55.05507	1.7
56.96553	1.2
57.03437	2.1
57.07073	0.8
61.02933	1.4
65.03955	1.2
67.05496	3.2
69.03434	5.5
69.07086	5.0
69.98621	3.2
70.06588	1.3
71.04991	3.5
72.08151	10.4
73.02917	6.9
76.18892	0.7
79.05493	2.9
81.03415	2.6
81.07058	4.8
83.04973	2.0
84.08150	2.0
85.02911	11.1
85.06538	2.3
86.09708	44.3
89.03964	0.8
91.05476	17.3
93.07059	5.4
95.04971	20.7
95.08607	3.7
97.02895	3.1
97.06543	2.2
98.97594	2.9
99.04447	5.2
99.08087	3.9
105.07031	3.9
107.08590	7.4
109.02847	1.6
109.06509	2.7
109.10149	12.2
111.04442	1.0
111.08137	1.4
113.07092	1.0
115.07600	2.1
116.01687	1.3
119.04938	1.5
119.08554	2.6
121.02879	1.5
121.06471	1.6
121.10170	3.4
123.04422	2.5
123.08065	1.0
123.11703	4.5
124.12096	0.9
125.05957	0.9
125.09603	1.7
127.03909	1.4
127.07603	1.6
131.05028	1.0
131.08611	2.6
133.10141	17.1
135.04453	1.8
135.08076	1.4
137.05957	2.3
137.09616	2.0
139.03920	1.2
139.11220	1.8
140.04698	10.4
141.06773	1.2
143.00192	0.9
143.11795	4.3
145.05031	1.3
147.04430	3.4
147.11748	2.0
149.09637	2.4
149.13297	2.7
151.11185	6.2
153.09094	8.4
153.12692	1.8
155.07051	17.0
163.03946	6.1
163.07472	1.0
163.14772	0.9
165.12730	1.3
167.07080	1.7
169.12239	3.6
171.11295	4.4
173.08057	1.2
173.13216	7.0
179.07109	1.7
179.14243	0.9
181.04967	19.5
187.14482	1.2
191.14307	12.7
199.18025	1.6
205.06250	1.0
209.08064	4.5
209.11852	1.5
209.15359	24.8
219.01833	1.1
219.13428	2.4
225.07588	1.2
227.09155	31.9
227.12682	2.7
227.16385	9.9
231.17125	1.8
240.13531	2.2
269.10553	1.1
276.15698	1.1
284.19763	2.6
309.78934	0.9
323.09442	1.5
371.16327	1.1
389.17844	100.0
390.18329	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2741
Annotation	Cosmosporaside A
Peak:m/z	Relative Intensity
53.03934	1.8
55.05512	23.3
57.03437	9.4
57.07080	12.9
59.04988	2.0
67.05505	42.7
69.03431	2.3
69.06733	2.0
69.07072	24.0
69.72922	10.2
70.06600	2.5
71.05003	15.3
71.08634	21.9
79.05491	28.6
81.03416	5.0
81.06600	2.6
81.07059	43.5
83.04984	15.9
83.08613	11.3
85.02879	1.7
85.06538	4.5
85.10201	13.4
91.05491	16.2
93.07046	36.5
95.04958	11.8
95.08609	40.9
97.06516	11.8
97.10192	11.3
99.08096	20.6
101.06049	2.0
105.07046	14.9
107.08602	20.2
109.06483	4.4
109.10159	16.3
111.08115	2.9
111.11742	2.7
113.09656	22.7
115.08690	3.9
117.07022	2.6
117.38924	1.6
119.08620	12.0
121.10146	27.2
123.08115	3.8
123.11685	5.7
125.09611	5.3
127.11162	3.9
131.08546	8.9
133.10126	11.9
135.08069	2.8
135.11725	12.2
137.09599	2.5
139.10347	1.7
139.11206	15.5
141.12756	30.2
143.08586	2.6
145.10138	9.0
147.11699	15.3
149.09573	5.3
149.13252	5.7
151.11211	12.0
153.12733	4.5
154.93251	1.7
155.10664	5.9
157.08607	1.9
157.10106	2.7
157.38855	1.9
159.11736	3.5
161.02612	1.8
161.13200	7.7
163.11176	8.5
163.14819	2.1
165.12726	12.9
167.10701	4.0
169.12247	11.2
171.11743	3.7
175.01564	13.9
179.14320	4.8
183.13754	5.8
185.11765	2.4
189.11241	3.4
189.12778	1.8
193.12250	3.8
193.15869	2.8
199.14688	2.1
203.12779	11.4
221.15332	4.6
241.14343	4.8
241.19547	3.5
249.22244	2.8
259.15408	3.4
259.20511	8.3
277.21643	100.0
295.22696	93.1
296.22888	2.5
331.13168	12.6
351.25238	12.6
369.26398	27.4
387.19702	3.6
387.27652	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	387.2012
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
50.11919	2.0
55.74858	2.2
61.50491	2.2
62.97038	1.9
67.05520	21.9
69.03436	4.3
69.64402	12.7
81.31571	2.2
83.04971	2.9
83.09009	2.2
85.02920	4.7
85.06528	10.1
91.05490	3.4
93.07031	6.5
95.04932	3.1
95.08610	100.0
100.13334	2.0
105.07036	3.6
107.08578	7.6
113.05984	9.8
119.08571	16.3
121.10144	5.4
123.08073	35.5
123.11751	2.2
133.10120	4.0
135.11661	12.0
147.11676	5.5
149.09613	34.0
151.07581	2.7
151.14771	3.0
161.13190	11.6
163.11150	8.1
165.12750	5.0
179.14339	3.8
189.12764	16.6
207.13823	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	387.2013
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
55.65369	2.4
55.65645	2.5
59.04994	15.1
60.42066	2.7
67.05490	8.1
69.03426	5.5
69.58110	14.4
72.20120	2.4
73.18745	2.3
79.05503	3.5
81.07056	6.1
85.02895	10.7
91.05457	9.0
93.07041	10.3
95.04962	4.8
95.08597	7.6
97.02875	5.1
98.20847	3.7
99.04518	2.7
104.56651	2.8
105.07001	13.1
107.08591	36.4
109.06530	12.3
109.10142	9.9
117.00948	2.5
119.08583	16.5
121.10141	4.1
123.08064	20.3
133.10144	3.7
135.08078	8.3
135.11720	17.9
137.09618	100.0
145.04976	3.3
145.10187	3.7
147.11668	9.8
149.09673	6.4
153.09131	5.0
161.05917	3.4
161.13290	17.9
183.13512	2.4
189.12791	12.2
207.13843	20.7
209.31488	2.5
225.14929	7.4
250.08467	3.0
353.51996	3.0
391.87732	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	387.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31171	0.8
70.12980	3.5
82.99846	3.1
83.72549	0.9
100.98432	0.8
101.00887	23.8
104.99271	0.9
105.57417	0.9
113.00801	0.9
115.02408	1.6
119.01926	18.6
127.02425	1.9
131.01990	0.9
133.03484	2.0
139.02420	6.2
143.01909	9.3
145.03477	5.8
157.03470	22.3
161.02995	5.6
163.04529	4.3
175.04524	7.1
181.05621	1.1
205.07004	33.9
223.06639	34.9
224.49504	0.9
241.07744	4.7
265.07663	9.9
277.07660	1.6
279.09320	7.6
387.13486	100.0
388.13779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.83976	0.6
55.01859	2.5
55.05518	0.8
57.03432	0.9
65.03934	1.5
66.04742	0.6
67.05503	1.9
69.03407	1.4
69.07057	1.2
69.20522	3.8
69.20956	2.4
70.06593	6.2
71.04990	0.9
71.06906	0.8
74.01778	0.5
79.05480	3.7
81.03407	1.9
81.07050	2.3
83.06089	1.2
84.04496	1.0
85.02904	4.2
85.06522	0.6
86.09699	4.7
88.60000	0.6
91.05490	4.2
93.07059	1.0
94.04202	3.2
95.04950	2.4
95.08585	1.8
97.02876	1.3
97.06511	1.4
98.97594	1.3
99.04420	0.8
103.05474	1.1
105.03475	1.0
105.07009	1.4
107.04955	3.5
107.08585	1.6
109.02824	1.0
109.06496	1.8
109.10155	1.6
110.03648	0.6
115.05452	2.4
116.07123	0.7
116.98686	0.6
117.07031	1.9
117.13407	0.5
118.06864	1.9
119.04944	2.2
119.08545	1.4
120.08121	0.7
121.06470	0.8
121.10158	2.1
122.03645	7.4
123.04424	2.0
123.08059	1.3
124.05207	1.4
125.05971	1.4
127.03939	1.2
127.05353	0.7
131.04907	2.0
133.06435	0.8
133.10068	1.0
135.04440	0.9
137.05975	100.0
137.09547	1.5
138.06348	0.8
143.04872	3.1
145.06488	3.4
146.11777	1.1
147.04399	3.3
147.08136	0.9
147.11655	1.8
149.05930	0.7
151.03918	2.6
151.07539	1.9
153.05429	1.0
155.06024	1.0
161.13271	1.1
163.03850	3.3
163.07574	1.0
163.11160	1.0
165.05455	1.1
165.09091	0.8
165.12735	2.6
167.07045	19.3
168.91951	0.7
173.05980	4.3
175.07590	1.8
177.05473	1.6
178.07925	0.9
179.07062	0.8
181.04955	14.2
181.06552	1.2
181.08795	0.6
186.99513	0.6
187.07623	0.8
189.05438	1.4
189.12817	2.0
191.07045	2.1
195.06512	2.2
196.14502	0.9
202.07719	0.7
203.07016	1.8
205.06668	1.1
205.08636	2.2
206.07269	1.5
207.06459	1.0
207.13779	4.2
215.06943	1.5
216.21854	0.6
218.07318	0.9
219.08142	1.4
221.09793	0.9
225.14832	1.3
231.08046	1.1
233.08015	1.1
234.06734	1.0
235.07715	1.2
235.09705	2.2
237.09135	0.9
247.07486	2.0
248.08301	1.3
249.09131	0.9
251.06972	0.8
259.07455	1.3
262.06314	0.9
263.07019	1.2
264.07837	1.2
273.05185	0.7
275.06888	0.6
276.07867	1.4
277.08557	1.4
278.09354	1.1
279.10187	1.7
287.07007	1.1
289.08719	1.0
291.10202	2.0
293.08038	1.6
304.07312	0.7
305.08154	4.0
306.09018	0.7
307.09735	2.4
313.53488	0.6
319.09573	4.0
320.10678	0.6
336.09976	0.6
337.10703	6.7
338.18048	0.7
339.12375	2.6
341.13385	0.7
351.12268	4.4
355.11819	0.9
357.13330	16.2
369.13318	3.1
376.68906	0.6
387.14404	37.1
413.10425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03941	0.7
55.01857	0.9
55.05500	0.5
58.55823	0.3
59.02059	0.4
64.14433	0.4
65.03952	1.8
66.04723	0.4
67.05496	1.3
67.12565	0.4
68.96847	0.5
69.03436	0.7
69.07061	0.4
69.39571	1.3
69.39999	1.3
69.64831	0.3
75.12935	0.3
76.37282	0.4
79.05488	1.2
81.03421	0.6
81.07049	1.3
82.04188	0.4
83.33428	0.4
85.02880	1.2
91.05481	1.7
93.07053	0.6
94.04187	2.5
95.04971	0.7
95.08620	0.4
97.02888	0.6
97.06566	0.9
98.20786	0.8
103.05457	5.0
105.03358	0.4
105.07025	1.5
107.04955	1.8
107.08598	0.5
108.02103	0.5
109.06554	0.6
110.03669	0.6
115.05477	2.3
117.03315	0.4
117.07022	1.5
118.04173	1.0
119.04939	0.5
119.08514	0.4
121.06561	0.6
122.03643	7.0
123.04414	0.8
125.05997	1.1
129.07021	0.4
131.04933	5.5
133.02867	0.4
133.06505	1.3
135.08047	0.6
137.05980	100.0
138.03052	0.4
139.03882	0.5
140.62408	0.4
141.05415	0.4
143.04913	2.9
145.06494	2.5
147.04420	0.8
148.05179	3.3
151.03912	13.5
151.05040	1.6
151.07658	0.5
153.05444	1.1
155.06061	1.2
161.05965	1.2
163.03874	0.5
163.07535	5.2
165.05484	0.8
167.07048	12.1
171.06590	0.6
173.06010	4.2
175.07507	1.1
176.04706	0.7
177.05511	0.8
179.07066	0.4
181.04951	20.5
187.07530	0.5
189.05524	0.7
191.07022	15.8
193.08670	0.6
201.05342	0.4
203.07066	1.7
205.08679	2.3
209.08092	0.9
219.08179	0.5
233.08150	1.2
235.09619	2.3
250.25354	0.4
263.09122	0.6
265.08749	0.5
279.10144	0.6
305.08398	0.5
307.09540	0.6
337.10599	0.6
351.12326	0.5
355.11734	0.5
357.13306	11.4
369.13287	0.9
387.14377	36.1
387.30585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03942	0.8
53.83976	0.6
55.01859	2.5
55.05518	0.8
57.03432	0.9
65.03934	1.5
66.04742	0.6
67.05503	1.9
69.03407	1.4
69.07057	1.2
69.20522	3.8
69.20956	2.4
70.06593	6.2
71.04990	0.9
71.06906	0.8
74.01778	0.5
79.05480	3.7
81.03407	1.9
81.07050	2.3
83.06089	1.2
84.04496	1.0
85.02904	4.2
85.06522	0.6
86.09699	4.7
88.60000	0.6
91.05490	4.2
93.07059	1.0
94.04202	3.2
95.04950	2.4
95.08585	1.8
97.02876	1.3
97.06511	1.4
98.97594	1.3
99.04420	0.8
103.05474	1.1
105.03475	1.0
105.07009	1.4
107.04955	3.5
107.08585	1.6
109.02824	1.0
109.06496	1.8
109.10155	1.6
110.03648	0.6
115.05452	2.4
116.07123	0.7
116.98686	0.6
117.07031	1.9
117.13407	0.5
118.06864	1.9
119.04944	2.2
119.08545	1.4
120.08121	0.7
121.06470	0.8
121.10158	2.1
122.03645	7.4
123.04424	2.0
123.08059	1.3
124.05207	1.4
125.05971	1.4
127.03939	1.2
127.05353	0.7
131.04907	2.0
133.06435	0.8
133.10068	1.0
135.04440	0.9
137.05975	100.0
137.09547	1.5
138.06348	0.8
143.04872	3.1
145.06488	3.4
146.11777	1.1
147.04399	3.3
147.08136	0.9
147.11655	1.8
149.05930	0.7
151.03918	2.6
151.07539	1.9
153.05429	1.0
155.06024	1.0
161.13271	1.1
163.03850	3.3
163.07574	1.0
163.11160	1.0
165.05455	1.1
165.09091	0.8
165.12735	2.6
167.07045	19.3
168.91951	0.7
173.05980	4.3
175.07590	1.8
177.05473	1.6
178.07925	0.9
179.07062	0.8
181.04955	14.2
181.06552	1.2
181.08795	0.6
186.99513	0.6
187.07623	0.8
189.05438	1.4
189.12817	2.0
191.07045	2.1
195.06512	2.2
196.14502	0.9
202.07719	0.7
203.07016	1.8
205.06668	1.1
205.08636	2.2
206.07269	1.5
207.06459	1.0
207.13779	4.2
215.06943	1.5
216.21854	0.6
218.07318	0.9
219.08142	1.4
221.09793	0.9
225.14832	1.3
231.08046	1.1
233.08015	1.1
234.06734	1.0
235.07715	1.2
235.09705	2.2
237.09135	0.9
247.07486	2.0
248.08301	1.3
249.09131	0.9
251.06972	0.8
259.07455	1.3
262.06314	0.9
263.07019	1.2
264.07837	1.2
273.05185	0.7
275.06888	0.6
276.07867	1.4
277.08557	1.4
278.09354	1.1
279.10187	1.7
287.07007	1.1
289.08719	1.0
291.10202	2.0
293.08038	1.6
304.07312	0.7
305.08154	4.0
306.09018	0.7
307.09735	2.4
313.53488	0.6
319.09573	4.0
320.10678	0.6
336.09976	0.6
337.10703	6.7
338.18048	0.7
339.12375	2.6
341.13385	0.7
351.12268	4.4
355.11819	0.9
357.13330	16.2
369.13318	3.1
376.68906	0.6
387.14404	37.1
413.10425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60257	1.5
51.58923	1.6
65.03937	3.5
66.84619	1.6
67.05498	6.3
71.22791	3.3
71.23135	1.7
73.75056	1.4
79.05479	5.8
81.03427	2.6
85.02899	5.8
91.05482	48.4
95.04984	10.5
97.02908	2.7
98.20920	1.9
100.89689	1.7
119.04945	71.6
123.04401	4.9
129.03352	4.0
133.06445	2.5
135.04396	1.8
137.06038	2.2
147.04413	100.0
161.05988	6.0
162.20140	1.7
165.05522	9.7
175.03922	40.1
179.07039	14.0
189.05467	28.8
193.04959	17.1
199.07353	1.7
203.47832	1.7
207.06534	37.4
217.04924	2.7
225.07590	11.8
258.47742	1.7
271.05948	1.7
392.83038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83873	0.3
58.99850	0.4
59.17675	0.3
69.03393	0.7
69.33047	0.3
69.52576	2.3
70.99841	0.9
71.47771	0.3
79.71185	0.3
82.99830	2.8
85.02887	1.3
87.29401	0.4
91.05470	0.6
95.99072	0.3
97.01425	0.4
97.02882	0.5
101.00885	23.2
102.00906	0.4
103.02422	0.6
113.00880	1.2
115.02422	2.1
116.83674	0.3
117.03986	0.5
119.01926	19.8
120.01988	0.4
127.02438	2.2
129.04033	0.5
130.42036	0.3
131.01894	1.2
133.03468	2.4
137.02925	0.8
139.02417	5.2
143.01909	9.6
145.03464	5.6
147.04344	0.6
148.04752	0.4
155.01949	0.3
157.03470	22.7
161.02962	5.1
163.04521	4.5
169.03435	0.7
171.05032	0.9
175.04544	7.1
181.05551	1.6
184.05814	0.6
189.05630	1.0
194.07063	0.7
205.05327	10.3
205.07007	3.1
207.06590	0.4
223.06633	37.1
224.06886	0.8
241.07692	5.6
246.08295	0.7
265.07697	10.5
267.07623	0.5
277.07700	0.8
279.09262	8.4
285.05008	0.4
291.09171	1.0
387.13422	100.0
388.13788	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
57.03443	28.4
57.50658	1.2
61.02937	12.4
66.31502	1.2
69.03431	25.4
70.82936	1.3
71.01331	2.1
71.17126	3.3
73.02922	59.7
76.53827	1.2
81.03422	7.9
85.02911	100.0
87.04475	3.1
90.74257	1.3
91.03960	5.9
92.05800	1.3
97.02897	51.3
97.03532	2.7
99.04469	3.7
109.02882	8.8
115.03938	34.5
127.03915	32.9
133.04976	11.5
145.04970	58.1
150.07594	3.3
163.06027	40.4
190.85976	1.6
223.06116	6.2
237.13301	9.1
241.07086	6.2
259.08170	4.7
264.65900	1.3
281.03708	1.5
287.34830	1.3
295.10178	5.2
314.21469	1.3
386.14069	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1287
Annotation	Hedyotoside
Peak:m/z	Relative Intensity
52.26686	1.3
65.03939	3.2
67.05502	6.3
67.09441	1.5
69.03439	1.9
69.22979	13.7
69.23316	2.1
70.95968	1.3
79.05489	4.1
81.03384	1.6
85.02903	3.3
91.05490	51.4
93.65945	1.4
95.04970	7.4
97.02921	2.7
105.07082	1.7
107.05011	2.2
119.04952	71.7
123.04422	5.5
129.03378	1.9
129.29417	1.4
131.03401	1.7
133.06447	4.1
138.32956	1.4
147.04419	100.0
149.06006	2.1
160.64539	1.4
161.05977	4.8
165.05482	9.9
175.03920	38.5
179.07065	12.1
189.05501	23.3
193.04953	12.0
194.76514	1.7
207.06549	30.6
225.07613	9.0
277.07004	1.8
289.07202	2.1
301.06979	1.6
402.58740	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07307	1.6
51.92084	1.8
53.02770	1.6
53.82419	1.8
61.02918	1.8
61.84282	1.7
63.05346	1.7
65.03938	3.8
67.05495	5.2
69.03411	1.6
79.05482	8.5
85.02897	3.9
90.64822	1.6
91.05486	52.9
95.04975	9.7
97.02932	2.7
105.03394	2.1
105.06952	2.3
107.04928	1.8
119.04947	76.5
123.04379	4.0
133.06511	3.3
135.04404	3.6
147.04416	100.0
161.05992	5.6
165.05470	9.5
175.03911	31.4
179.07074	13.2
189.05486	25.2
193.04993	10.9
207.06540	30.4
225.07503	8.6
231.96585	1.7
271.06195	2.3
277.36877	2.0
289.07135	2.3
319.08032	2.1
374.35791	1.8
387.15973	2.1
396.40732	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	3.6
62.33956	1.5
68.99791	11.3
69.03432	2.1
71.01358	7.8
73.02910	4.4
85.02908	100.0
87.00849	2.9
95.01325	10.8
95.08602	1.4
97.02914	6.7
99.00809	3.5
101.02412	2.3
103.03913	2.8
111.00820	11.7
113.02393	12.2
115.00320	2.2
123.00822	1.6
129.01848	75.6
131.03430	8.6
137.37515	1.7
138.22321	1.4
139.00269	20.0
141.00752	3.0
141.01830	45.1
147.02896	28.9
157.01320	19.9
159.02908	15.3
160.92931	1.5
175.02345	11.8
175.03622	1.8
177.03951	3.8
178.75009	1.3
182.06572	1.3
189.05534	2.1
190.05904	1.9
193.03435	4.5
248.07933	2.3
259.04431	2.0
259.09634	1.4
276.07489	1.8
287.03976	2.4
294.08435	2.3
298.10529	1.6
304.06888	2.2
305.05005	5.7
308.09918	3.2
315.03482	1.4
333.04510	17.9
336.09390	1.7
351.05585	57.3
386.24194	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.8
53.03932	5.9
54.97755	1.6
55.01852	5.5
55.05515	23.8
57.03438	31.6
57.07057	1.8
57.52804	1.4
59.04990	2.3
67.05507	55.2
69.03419	4.1
69.07072	34.9
69.36042	9.8
71.04995	21.6
73.06551	2.7
79.05497	47.7
81.03411	6.2
81.06593	2.6
81.07059	49.7
83.04978	16.1
83.08632	11.6
85.06531	4.7
89.06045	1.8
91.04974	2.8
91.05482	30.9
93.07047	60.4
95.04963	9.7
95.08607	39.0
97.06542	15.9
97.10184	11.6
99.08060	3.8
105.07032	30.7
107.04951	3.6
107.07886	2.3
107.08601	39.1
109.06522	8.7
109.10160	20.7
111.08076	16.9
111.11679	2.4
115.07521	3.1
115.58885	2.1
117.06982	14.3
119.08589	24.6
121.06414	2.3
121.10152	35.5
123.08060	7.4
123.11697	3.7
125.09647	10.4
127.45393	1.7
129.06987	5.1
131.08569	26.3
133.10143	17.7
135.08032	7.7
135.11685	7.4
137.09628	5.1
137.13271	3.0
139.11174	22.7
141.06900	1.7
142.32022	1.7
143.08563	4.2
145.10138	14.8
147.08014	3.7
147.11711	9.5
149.09656	9.7
149.13164	2.0
151.11195	3.4
153.09096	2.5
157.10103	4.9
159.11691	11.7
161.09505	2.3
161.13261	4.7
162.58047	1.8
163.11160	5.9
167.10645	4.6
169.10211	2.8
171.11682	7.1
173.11858	2.3
173.13260	7.7
175.11073	2.0
175.14824	2.5
179.14220	2.0
183.11688	2.0
185.11789	3.5
185.13249	9.3
185.23843	1.7
187.14825	7.9
189.11203	6.3
189.12773	3.5
193.12244	3.5
193.78700	1.9
197.13286	2.1
201.14746	2.6
201.16406	2.6
203.12761	24.0
203.14348	4.1
205.15868	7.8
207.13762	3.2
212.34883	1.7
219.17453	5.1
221.15471	3.8
223.16899	3.5
227.12750	1.6
229.19383	2.3
235.16888	2.9
237.18597	2.2
239.17889	4.7
241.14345	10.5
247.20584	3.1
257.19073	12.9
259.15503	6.4
267.15775	2.4
275.20071	100.0
276.20334	2.8
277.96719	1.9
293.21124	30.0
349.23636	6.7
367.24817	25.9
385.25647	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	385.1471
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
51.68974	0.3
54.02337	0.3
70.98996	0.7
80.10588	0.3
85.02898	0.6
86.49136	0.3
97.02887	0.4
107.68857	0.3
123.86188	0.3
139.60020	0.3
145.04936	0.3
147.04416	0.6
148.71817	0.3
175.03976	0.4
189.05705	0.4
223.09491	0.4
253.07617	1.0
307.64392	0.3
385.14716	100.0
386.15115	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.0
57.03439	10.8
60.89964	1.9
61.02924	6.8
68.10691	1.8
69.03436	19.3
69.49682	5.7
69.50111	7.2
70.06603	2.2
71.31064	1.8
73.02921	26.4
73.06562	28.6
81.03416	3.3
85.02909	68.0
91.03960	3.8
93.80022	1.7
97.02892	28.2
98.20779	3.9
98.97586	2.5
99.04449	3.6
109.02889	6.2
115.03931	15.9
127.03924	19.1
133.04967	5.2
145.04964	32.3
147.04381	4.1
161.06065	2.2
163.06001	21.9
169.08655	6.4
198.16782	1.8
217.10745	2.4
217.28926	2.3
244.38872	1.7
253.12881	6.0
259.08124	1.8
365.05661	2.9
385.14697	100.0
386.14658	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29561	3.9
53.03946	6.7
55.01870	7.2
55.05512	38.3
57.03442	28.8
57.07079	4.3
58.54739	4.4
67.05508	77.5
67.54491	4.9
68.99808	7.6
69.03430	22.1
69.07079	36.4
70.28639	9.7
70.29005	10.2
71.04997	16.3
71.08639	5.6
79.05497	63.6
79.09393	3.8
81.03425	13.6
81.07059	94.2
83.04980	16.8
83.08612	16.9
85.02903	50.4
85.06535	14.1
91.05491	55.7
93.07044	63.1
95.01326	9.9
95.04974	14.3
95.08611	49.8
97.02888	7.7
97.06540	16.0
97.10172	14.5
98.97552	6.1
99.08074	9.4
105.07046	50.2
105.73814	4.2
107.04983	9.8
107.08594	52.1
109.06533	14.9
109.09521	6.0
109.10149	31.3
111.08091	11.5
117.07027	16.5
119.08585	47.5
121.10162	36.9
123.06540	4.0
123.08051	8.6
123.11714	13.2
125.09656	13.3
127.40804	3.9
129.01831	28.1
129.06990	6.4
131.08549	27.4
133.10118	35.1
135.08069	10.7
135.11710	19.5
139.00258	9.5
139.11186	18.4
141.01802	21.9
143.08612	7.2
145.10124	26.0
147.02922	11.9
147.11697	28.3
149.09639	17.8
149.13324	6.8
151.11150	6.9
153.09111	4.7
155.08540	4.6
157.01353	7.7
157.10127	9.2
159.02966	4.9
159.11703	19.6
161.09555	6.2
161.13300	10.2
163.11165	11.8
167.10791	4.9
169.10042	6.2
171.11673	10.3
173.09824	4.4
173.13274	12.4
175.02396	10.7
175.11237	5.0
177.12791	7.6
185.13327	6.6
187.14838	8.8
189.05591	9.9
189.11259	10.2
192.31955	4.8
193.12305	7.1
197.13321	4.5
203.12744	10.7
205.16013	5.6
213.14664	4.4
219.17462	5.8
239.18066	6.3
241.14413	6.9
255.16013	9.1
257.19077	17.7
259.15454	6.0
269.17288	6.6
275.00790	4.8
275.07248	6.8
275.20099	100.0
293.21121	28.1
309.20679	7.5
329.14142	4.4
333.04578	8.2
349.23892	14.1
351.05533	27.6
367.25018	42.1
385.23587	13.3
395.86221	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	385.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05957	2.7
56.04200	2.5
64.88464	2.3
65.03931	3.8
69.07072	3.1
69.44301	16.5
69.44712	4.3
71.04992	2.5
74.53344	2.8
79.05481	6.9
81.03423	4.7
84.83752	2.8
85.02914	2.6
91.05487	41.2
92.75579	3.0
95.08575	5.0
96.35468	3.1
98.97575	2.9
103.05481	9.6
105.07094	4.4
107.04929	3.3
119.04946	40.7
128.06248	4.4
129.03374	10.4
131.04938	20.9
137.05977	3.1
142.06392	3.1
147.04410	54.4
153.06944	4.6
159.04430	47.7
161.05951	14.8
163.04001	3.5
165.05536	5.3
165.07005	13.1
166.07768	4.6
167.07010	7.1
167.08435	3.7
175.03871	3.3
177.06982	5.6
178.07779	26.2
179.08585	7.7
189.05489	100.0
189.07030	18.4
190.07773	22.3
191.08554	76.2
192.09372	13.9
193.10139	5.5
194.07277	3.5
195.08147	4.7
201.05412	6.1
202.07761	22.2
203.08545	10.4
205.06409	27.3
207.08104	3.5
209.09691	6.3
213.05363	3.8
218.07246	6.5
219.08049	65.8
220.08842	12.0
221.06134	3.3
221.09688	5.2
223.07533	4.1
223.16966	8.6
229.06561	3.6
233.06158	4.0
237.09119	37.3
247.07549	96.2
248.08263	9.2
249.09056	4.1
257.06018	3.0
265.08594	11.9
275.07047	82.5
276.07709	5.6
277.08521	4.3
279.10147	20.0
289.08585	4.8
292.06967	3.2
293.08109	64.0
303.06473	54.3
307.09659	75.5
310.43109	2.6
317.08047	4.9
321.07526	22.1
325.10864	4.5
335.09177	59.9
339.08899	3.6
349.10797	5.2
353.10190	39.0
367.11719	4.3
371.11240	10.9
385.12701	4.3
385.17264	3.6
401.80301	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	385.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
54.19629	1.4
55.01885	1.4
55.05497	1.3
65.03944	3.2
66.70007	1.3
67.05487	3.7
70.79569	1.8
70.79910	2.9
79.05508	8.0
81.07049	2.4
91.05467	5.2
93.03402	1.5
93.07050	4.6
95.04969	3.4
95.08580	2.1
103.05472	100.0
105.07027	17.9
109.10153	1.7
117.01205	1.2
119.04918	2.2
119.08518	2.2
121.06483	3.8
121.10173	1.6
129.03352	2.1
131.04935	22.2
133.10133	2.2
135.04366	1.5
135.11653	1.7
141.06996	2.0
145.02869	14.1
147.04424	2.7
149.06004	13.9
159.04430	20.4
159.11633	2.2
163.03877	5.6
163.07567	9.9
165.06973	10.9
166.07784	10.3
167.08638	2.8
173.02364	1.7
175.03842	2.7
177.05457	4.4
178.07793	8.6
179.07054	1.4
179.08578	4.6
181.10152	9.5
189.05487	27.4
189.07021	5.3
190.07782	11.8
191.03400	4.9
191.06985	3.4
191.08560	30.3
192.04182	1.4
192.09288	7.7
193.10086	1.8
194.07242	5.1
195.08040	5.8
202.07794	3.1
203.08524	3.0
205.04959	93.4
205.06432	3.6
206.07310	1.7
208.09096	1.7
209.09645	11.2
217.04898	2.4
218.07237	3.8
219.08046	26.4
220.08800	5.7
221.09622	2.1
223.07562	2.1
237.09111	17.3
247.07539	30.1
248.08258	4.5
249.09126	3.3
250.06670	1.5
251.07040	2.8
251.10503	1.6
257.05988	2.3
261.09125	1.9
265.08603	15.6
268.19641	1.4
275.07047	20.3
279.07095	1.6
279.10083	7.9
289.08563	4.0
291.09836	1.6
293.08060	20.9
303.06519	13.9
307.09598	25.6
317.08118	8.7
321.07590	17.5
323.09061	1.8
325.10794	7.9
335.09122	24.4
339.12424	3.0
349.10773	4.8
353.10233	13.1
367.11664	7.4
367.26425	1.6
371.11096	4.0
385.23032	1.8
385.28308	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	383.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
64.77971	0.3
67.05505	3.2
69.07056	0.7
69.68896	1.8
70.06527	0.3
75.46378	0.3
79.05483	0.7
81.07047	2.0
83.08611	0.5
91.05481	1.4
93.07033	2.0
94.50999	0.3
95.04942	0.5
95.08615	1.0
97.06536	0.5
98.11749	0.3
98.20786	0.6
105.07049	1.4
107.08588	1.1
109.10150	2.8
117.07008	0.6
119.08601	1.5
121.06556	0.3
121.10160	0.9
129.07008	0.4
131.08566	1.0
133.10117	1.1
135.08017	0.6
135.11713	0.3
142.07820	0.4
143.08597	0.7
145.10159	1.0
145.68517	0.3
147.11638	0.5
149.09613	0.7
157.10120	0.5
159.11726	1.0
161.13194	0.4
169.10120	0.4
173.09676	0.4
173.11783	0.6
173.13269	0.5
178.07744	0.4
179.08501	0.6
189.05455	1.6
195.34688	0.3
221.15474	0.4
224.29567	0.3
247.14934	0.3
255.64787	0.3
263.07010	0.4
285.11139	0.9
335.24237	0.6
365.25073	0.4
371.26480	0.7
383.27673	100.0
384.27875	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65919	1.6
62.39569	1.7
67.05497	6.2
70.55698	3.2
70.56027	3.7
75.34764	1.7
79.05496	2.7
81.07066	2.6
93.07011	2.0
97.46346	2.0
105.07116	2.0
109.10126	3.2
149.30312	1.7
165.07013	3.5
176.06117	1.9
178.07826	2.2
189.06908	12.8
190.07808	18.3
191.08560	63.4
201.06900	3.5
202.07782	4.4
205.06494	3.5
218.07216	8.3
219.08058	62.4
229.06487	7.6
233.06126	1.8
246.06755	3.2
247.07549	100.0
251.78059	2.1
257.05884	5.0
261.09085	2.2
275.07040	84.3
276.07318	2.0
279.10236	4.9
283.16867	4.2
289.08588	13.2
303.06491	55.7
307.09613	26.2
317.08044	21.9
335.09128	75.3
339.23120	4.1
339.85037	2.1
349.10739	19.0
353.10083	2.3
367.11508	3.3
384.24017	2.0
387.04388	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96526	0.3
64.22896	0.3
70.82708	0.4
70.83040	0.6
70.98300	0.3
82.99850	0.4
83.48063	0.3
98.97582	6.3
101.00865	2.5
111.95901	0.3
116.98616	3.6
119.01924	4.5
134.99664	0.7
137.02885	0.4
140.98787	0.3
158.99896	1.8
176.99396	0.6
177.00952	12.2
182.99878	0.9
199.63319	0.3
201.00958	2.9
217.04114	2.6
219.02003	22.8
220.02170	0.6
221.02112	0.3
225.00774	2.8
234.99796	0.6
236.99786	0.5
240.98883	0.7
242.03302	0.3
242.99391	0.6
243.01996	11.9
244.02000	0.3
244.26611	0.3
253.81436	0.3
258.99823	4.1
260.00150	1.0
261.03058	100.0
262.03250	3.3
263.03250	0.7
264.99048	0.4
266.03491	0.5
274.60565	0.3
277.00842	3.1
278.00928	0.7
279.00635	2.8
282.99982	3.8
284.00177	0.5
284.04639	1.9
284.99762	1.5
301.00949	3.4
302.01291	0.7
303.00992	1.5
325.01111	0.7
343.02069	1.9
344.02533	0.4
361.99408	0.4
367.01971	2.9
385.03217	20.4
403.04462	19.2
404.04767	0.5
407.99271	0.3
408.05069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1281
Annotation	1,3-O-di-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
53.03957	5.5
57.07072	2.2
65.03925	3.7
67.05505	3.5
69.07076	2.4
71.55299	3.0
79.05489	9.9
81.07031	4.6
85.02927	3.5
90.37355	3.1
91.05486	5.7
93.07034	6.9
95.04946	7.6
95.08612	5.6
97.06496	2.7
98.97640	2.8
102.04675	2.7
103.05464	100.0
105.07009	17.4
107.08572	2.7
109.10168	3.9
112.01430	2.4
121.06497	4.9
125.28188	2.8
129.03375	2.7
131.04958	18.4
131.08597	3.9
133.10078	2.9
135.04443	3.2
143.01944	3.0
143.08656	2.6
145.02841	15.8
147.04381	3.9
149.05984	13.5
153.01848	6.7
159.04430	23.2
163.03918	5.9
163.07532	10.0
165.06990	15.8
166.07764	14.6
167.08511	3.9
173.02403	3.6
177.05527	6.0
178.07835	7.7
179.08554	5.7
181.10126	13.6
189.05487	37.6
189.06990	6.1
190.07767	15.1
191.03450	5.7
191.06978	4.2
191.08560	33.8
192.09294	7.5
193.10080	5.0
194.07285	5.9
195.08078	4.0
200.58965	2.3
202.07809	3.9
205.04948	82.9
206.07430	3.0
209.09653	19.7
217.04893	6.0
218.07173	4.8
219.08035	36.6
220.08804	7.2
221.09538	4.7
223.07590	3.2
232.70293	3.0
235.22595	2.7
237.09116	21.6
247.07533	34.3
248.08138	4.9
249.08995	4.1
251.06970	2.4
251.10846	2.4
265.08597	14.6
275.06979	17.9
277.08655	3.0
279.07440	2.2
279.10162	14.4
289.08615	5.9
290.09186	2.9
293.08066	19.3
303.06500	11.8
307.09616	36.8
317.08109	5.8
321.07635	17.4
325.10754	11.3
335.09113	30.3
339.08578	3.1
349.10568	6.9
353.10129	11.0
367.11832	12.1
367.22461	4.2
371.11139	5.8
385.13037	5.1
385.23648	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	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.05511	21.7
55.45254	3.1
57.03433	4.4
57.07071	14.3
59.04995	9.2
65.03934	6.8
67.05505	59.2
67.37968	3.0
69.03429	27.4
69.07059	12.3
69.70918	8.4
69.71337	11.7
71.04986	9.7
78.97518	3.0
79.05485	35.6
81.03452	4.5
81.07058	40.7
83.04977	11.7
83.08616	4.2
85.06546	6.3
87.18579	3.3
89.06025	3.1
91.05482	52.2
93.07044	98.2
95.04971	31.0
95.08607	50.2
96.85368	3.1
97.06526	14.2
103.05448	4.2
105.07030	95.7
107.08600	49.9
109.06517	24.5
109.10162	48.0
111.08074	11.2
114.73494	3.3
115.05408	4.7
117.07020	13.3
119.04974	3.4
119.06075	3.7
119.08582	56.9
120.09386	5.5
121.06508	23.6
121.10143	47.5
123.08071	29.6
123.11700	3.1
128.06242	8.6
129.05482	13.4
129.07019	12.2
130.07750	4.1
131.08566	35.9
133.06477	12.5
133.10152	30.4
135.08060	27.6
135.11696	9.6
137.05960	5.3
137.09596	13.4
141.06989	4.6
142.07751	17.3
143.08539	25.3
144.09367	9.0
145.06439	3.8
145.10139	36.9
147.08075	26.1
147.11674	23.0
148.08864	6.8
149.09630	34.9
151.07565	40.6
153.09013	3.3
155.08546	9.7
155.10596	4.3
156.09377	9.2
157.10130	42.8
159.08026	5.5
159.11673	16.8
161.09639	24.8
161.13295	9.2
163.11154	12.0
165.09111	38.5
169.10078	6.7
170.10876	5.6
171.08052	3.8
171.11734	10.4
173.09592	9.2
173.11778	6.1
173.13228	10.6
175.11201	20.2
175.14838	7.4
177.09108	13.6
178.09868	3.6
179.08766	2.9
181.12279	4.4
183.11719	8.4
185.06786	3.1
185.09613	5.8
185.13213	20.0
187.11188	4.8
187.14777	4.5
189.12732	8.1
191.14273	5.1
195.11737	4.4
196.12552	3.5
197.13326	5.8
199.14821	3.4
201.12773	11.2
203.14323	30.4
207.11824	7.2
207.13846	15.9
209.15279	6.1
213.12706	7.8
215.14284	7.5
219.13823	9.4
221.13402	4.9
221.15353	100.0
225.16422	3.6
227.14310	10.5
231.13782	4.1
233.15448	5.4
234.16196	20.6
235.17085	3.4
249.16457	3.5
254.74266	3.1
269.18976	4.7
286.19162	4.6
287.20129	6.7
299.20007	5.7
303.19556	6.9
309.18573	4.8
347.23627	5.0
365.24854	15.8
383.25662	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03936	4.3
55.01857	4.3
55.05505	14.3
57.07073	11.5
59.05006	6.2
64.85539	3.1
64.91926	3.2
65.03948	4.1
67.05505	46.3
68.12476	3.7
69.03432	17.5
69.07078	10.9
71.00399	6.2
71.04996	7.7
74.88307	3.3
77.03914	3.3
79.05495	30.8
79.82742	2.9
81.07055	43.5
83.04978	6.9
83.08617	6.3
85.06527	6.6
91.05486	53.0
93.07050	99.9
95.04974	31.1
95.08606	48.4
97.06533	17.1
99.29758	3.1
105.07034	85.2
105.07704	6.9
107.04944	3.8
107.08599	49.8
109.06503	24.8
109.10165	34.8
111.08084	12.7
113.09600	4.7
117.07006	18.4
119.04969	4.3
119.08585	69.6
121.06494	19.2
121.10160	56.6
123.08079	28.4
125.09610	5.0
126.96259	3.7
128.06204	10.2
129.07019	13.0
130.07788	9.1
131.08574	40.5
133.06526	9.4
133.10123	41.5
135.08064	23.8
135.11673	8.1
137.05998	4.2
137.09612	11.6
141.07004	4.6
142.07802	22.7
143.08569	28.8
144.09344	11.8
145.06534	4.9
145.10130	44.7
147.08058	27.1
147.11671	18.2
148.08855	4.0
149.09613	27.8
151.07530	36.5
153.09116	5.6
155.08554	14.9
155.10660	3.6
156.09361	12.7
157.10120	50.6
159.08081	11.2
159.11702	19.0
161.09570	18.5
161.13271	8.5
163.11107	6.2
165.09102	31.1
167.08612	6.9
169.10089	6.9
170.10948	7.9
171.11699	12.7
173.09619	13.6
173.11862	4.4
173.13326	11.8
175.11172	25.7
175.14870	7.7
177.09148	11.1
179.08644	4.5
181.10164	5.6
181.12186	4.3
183.11754	5.1
185.09624	7.6
185.13286	17.3
187.11227	8.3
187.14789	9.6
189.12744	8.1
191.14369	5.3
192.72540	3.5
195.11688	7.0
197.13326	8.2
199.11185	7.1
201.12698	11.6
203.14320	29.5
207.11873	4.4
207.13831	11.2
209.13258	6.2
209.15222	4.4
211.11235	4.2
213.12700	7.9
215.14316	20.0
216.15167	5.1
219.13869	7.8
221.15344	72.8
222.13824	3.4
225.12613	4.4
227.14325	11.5
228.81227	3.6
231.13683	6.7
233.15463	10.1
234.16148	15.5
287.20029	13.3
299.20078	12.2
303.19708	5.6
365.24789	17.1
383.25845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.81610	2.5
53.03944	9.1
55.05517	19.3
57.03428	5.4
57.07069	10.4
59.04989	6.6
60.20803	2.7
61.02928	3.4
67.05510	48.9
69.03423	15.7
69.07059	8.2
70.01240	8.0
71.04988	8.6
79.05495	32.8
81.03413	6.4
81.07047	38.6
83.04973	12.3
83.08598	5.7
85.02896	4.4
85.06556	6.2
91.05482	49.0
93.07047	100.0
93.07642	5.0
95.04971	27.8
95.08611	48.1
97.06539	21.7
99.04478	4.9
105.04505	4.4
105.07038	74.1
107.08591	47.4
109.06534	21.9
109.10155	35.2
111.04440	3.7
111.08075	9.3
115.05453	4.0
116.06187	3.1
117.07017	9.7
119.08588	56.0
120.09353	3.4
121.06483	14.3
121.10149	50.7
123.08060	28.4
128.06224	9.8
129.06987	12.6
130.07776	3.7
131.08568	32.4
133.06517	7.3
133.10146	29.4
135.08055	23.7
135.11678	5.8
137.09618	15.1
139.47462	2.9
141.06976	3.4
142.07787	26.3
143.08559	27.1
144.09384	5.2
145.10123	39.3
147.08063	29.0
147.11668	19.8
149.09631	21.6
151.07553	35.6
153.09090	5.3
155.08589	9.5
156.09328	11.2
157.10132	42.0
159.08060	9.9
159.11667	16.6
160.08798	4.3
161.09610	21.1
161.13266	7.5
163.11176	8.0
165.09126	38.1
169.10104	5.2
170.10893	7.4
171.11691	12.7
173.09642	9.7
173.11859	4.8
173.13278	9.9
175.11209	22.6
175.14828	11.7
177.09010	6.2
177.12794	4.2
179.08588	4.2
181.10236	3.2
181.12184	4.5
182.10939	3.2
183.11687	8.2
184.08908	4.7
185.09624	4.8
185.13298	24.5
187.11113	8.5
187.14861	5.8
189.12755	11.4
191.00430	3.0
191.14328	4.1
193.10191	3.8
195.11681	9.0
197.13239	7.1
199.11206	3.3
199.14902	5.2
201.12744	5.3
203.14302	26.6
207.04480	2.9
207.11876	3.8
207.13824	13.4
209.13258	8.3
209.15343	6.6
213.12729	6.7
215.14340	11.5
217.12227	3.5
219.13658	3.9
221.15369	86.6
223.06329	3.5
225.12675	3.6
225.16466	3.1
227.14384	6.5
231.13789	4.0
233.15338	8.7
234.16118	10.1
237.14778	5.7
247.17084	3.4
253.15776	4.6
263.18130	3.8
267.09100	3.7
281.19064	2.9
285.10147	5.5
286.10382	4.2
286.19260	6.1
287.20035	7.1
299.20108	7.7
301.20294	5.6
303.19565	11.2
347.23880	4.0
365.24792	17.8
383.20355	66.2
383.25757	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03941	6.0
55.01870	3.5
55.05518	13.1
56.96579	2.5
57.07073	13.8
59.05003	5.6
59.74213	2.5
65.03965	3.0
65.93896	2.3
67.05504	46.2
69.03439	16.3
69.07062	9.2
69.59266	11.5
70.98130	2.6
71.04992	8.2
79.05490	28.2
81.03427	3.1
81.07064	38.6
83.04973	7.3
83.08619	4.0
85.06562	4.1
91.05477	50.0
93.07046	95.9
93.07639	4.6
93.80208	2.1
95.04966	24.1
95.08605	39.3
97.06544	13.1
97.10176	2.4
103.05487	2.8
105.07030	73.9
107.08603	44.0
109.06513	26.8
109.10153	31.5
111.08086	9.3
115.05475	3.3
117.07018	15.3
117.07735	2.3
119.08578	54.3
120.09431	3.1
121.06552	14.5
121.10145	40.7
123.08080	30.5
123.11703	4.0
128.06235	9.0
129.07005	7.7
130.07784	5.4
131.08562	29.7
133.06497	8.3
133.10127	31.5
135.08054	19.3
135.11746	6.5
137.09608	11.0
141.06982	6.2
142.07791	21.4
143.08562	30.9
144.09329	5.7
145.06544	3.4
145.10118	37.7
146.07259	3.7
147.08058	25.4
147.11714	19.1
148.08806	2.7
149.09642	23.5
149.13167	2.7
150.10391	2.5
151.07549	39.8
153.09113	4.6
155.08569	10.0
156.09377	9.3
157.10126	48.7
159.08051	8.4
159.11688	18.0
160.08847	3.3
161.09651	19.0
161.13234	8.0
163.11166	7.9
165.09123	34.0
169.10118	5.8
170.10887	6.9
171.11787	11.0
172.12416	3.8
173.09610	12.0
173.11925	2.8
173.13272	10.0
175.11150	25.0
175.14871	8.0
177.09192	13.7
179.08565	2.8
181.10054	5.7
182.10930	4.3
183.11707	7.0
185.09651	2.8
185.13277	18.4
187.11182	5.8
187.14880	5.2
189.12756	10.8
191.14391	3.1
193.10172	3.8
195.11751	6.4
197.13252	7.4
199.11122	4.6
199.14980	3.7
201.12769	10.0
203.14342	34.2
207.11879	4.8
207.13843	13.5
209.13412	5.2
209.15424	8.9
211.14819	4.4
213.12843	6.7
213.16292	2.9
215.10956	2.6
215.14310	10.2
217.12439	3.7
219.13843	6.4
221.13536	3.1
221.15373	81.3
223.14818	4.3
225.16426	2.6
227.14362	6.7
229.12320	2.4
231.13898	5.1
233.15439	5.9
234.16080	15.2
249.31081	2.6
255.17589	2.7
264.94397	2.3
267.17517	3.8
271.17056	3.2
281.19128	2.9
285.66156	3.3
286.19339	5.7
287.20013	14.2
299.20053	5.3
303.19586	10.7
309.18317	2.5
327.19650	3.8
347.23346	3.5
360.10947	2.7
365.24701	14.3
383.25778	100.0
384.26331	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	383.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01855	2.0
55.05494	1.6
56.96551	5.1
57.03430	1.9
61.02920	4.6
63.16219	1.4
69.03425	13.9
69.19514	17.6
71.05001	2.4
73.02902	3.9
74.02439	2.4
81.03410	8.3
81.30599	1.6
84.04469	2.1
85.02908	37.0
89.03925	11.2
91.05463	4.1
94.06549	3.3
97.02896	12.6
97.06635	1.4
98.97583	12.4
99.04456	4.4
101.00890	4.0
103.03901	3.9
107.04921	2.5
109.02855	4.3
110.07155	2.9
111.04415	2.0
112.99109	2.1
116.98625	3.8
117.03391	10.2
118.03629	2.4
118.06530	5.1
119.01923	4.8
119.04932	5.3
120.08091	2.7
126.05468	2.3
127.03879	6.8
130.06528	58.9
132.04463	17.2
132.08066	5.0
134.05992	2.1
135.04401	18.0
136.04781	2.8
136.06183	2.5
138.05513	3.0
143.00075	2.7
143.01897	2.9
144.04463	1.7
144.06902	2.8
144.08066	28.2
145.02756	11.4
145.05037	2.8
145.07597	22.4
146.06003	12.3
147.04414	5.0
148.07578	4.8
154.06499	3.8
156.06812	2.8
156.08040	3.7
157.07610	66.3
158.04805	3.3
158.06020	50.0
158.99615	2.5
159.09163	7.3
160.07578	2.3
161.01318	2.0
161.03000	5.2
163.03900	75.9
164.04280	11.2
168.08055	2.6
169.03426	3.5
169.07607	6.6
170.05945	2.8
171.06778	1.8
171.09164	7.1
172.07559	11.2
173.02986	3.2
174.05466	8.7
175.03920	1.7
175.08665	57.4
176.07118	2.8
177.00743	3.1
180.08127	1.8
180.10078	2.3
181.07614	4.7
182.08350	4.0
183.09178	17.6
184.06035	1.8
184.07574	2.6
185.07129	12.6
186.05533	3.7
186.07880	4.6
187.08675	1.9
188.07118	3.7
189.05489	4.9
190.08664	2.1
195.09157	2.9
196.07690	2.2
199.08678	11.5
200.07085	17.0
203.04057	3.7
203.08157	100.0
204.06668	4.5
204.08583	2.1
207.06458	2.4
209.07027	6.3
210.95671	1.8
214.08659	2.3
215.04007	2.0
215.08118	3.6
216.06610	2.3
216.08919	4.0
217.09720	30.3
221.04968	1.7
221.09210	55.6
227.08141	11.8
228.06523	3.6
231.07639	6.7
233.03108	1.8
237.02957	2.7
238.08630	1.7
239.04355	4.3
239.98544	1.8
243.07715	3.0
245.09233	28.9
249.02707	1.9
257.09290	2.8
263.10284	52.7
267.11252	1.6
269.09070	2.1
275.06171	3.8
276.06421	3.0
277.05969	2.1
279.07230	2.1
299.10324	6.8
301.11844	3.0
311.10220	2.3
319.13257	2.0
323.06192	2.4
329.11340	5.0
347.12305	12.2
348.10690	10.8
349.07733	3.2
365.13422	42.0
370.09750	2.1
383.08810	16.2
383.14218	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1124
Annotation	Resomycin A
Peak:m/z	Relative Intensity
53.03917	0.7
53.74292	0.6
55.01868	0.8
55.05500	0.9
56.96559	0.9
57.03448	1.0
58.16624	0.6
61.02912	0.5
65.03941	0.8
67.05495	1.3
69.03416	0.7
69.07058	0.9
69.44938	4.4
70.67064	0.6
79.05493	1.9
79.47547	0.5
81.03394	1.2
81.07047	1.7
83.04953	1.0
85.02899	1.2
91.05470	4.0
93.07041	2.6
93.64682	0.6
95.04946	0.7
95.08604	1.6
97.02859	1.0
98.21503	0.7
98.97559	0.8
99.55165	0.5
103.05463	1.1
105.03324	0.6
105.07005	1.8
107.04912	0.8
107.08593	1.0
109.06526	0.7
109.10174	1.1
112.82492	0.6
115.07597	0.6
117.06925	0.6
118.04144	0.7
119.04907	2.9
119.08589	0.8
121.06531	1.5
121.10164	1.0
129.03366	18.6
129.06960	0.7
131.04947	1.7
135.04460	3.0
135.11754	0.6
145.02797	3.3
145.10155	0.8
146.03662	0.8
147.04366	3.0
147.11726	0.7
149.05927	1.4
149.98166	0.6
153.06825	0.6
161.05984	8.7
165.07011	1.8
175.03955	0.8
175.83192	0.6
176.04721	1.4
176.06174	1.3
177.05486	4.2
177.07021	3.9
178.07759	8.7
179.07039	2.7
179.08382	2.8
181.06522	0.8
189.05473	100.0
189.07004	13.8
190.07703	3.3
191.08597	2.3
193.06516	1.0
193.10136	0.7
195.08160	0.8
202.07794	0.8
203.03384	1.8
203.08563	0.8
205.06528	6.3
206.07292	1.4
207.06526	3.8
207.08157	1.7
209.09492	0.8
217.06441	9.0
218.07283	3.0
219.07999	1.5
221.05975	1.3
233.05952	4.3
234.06775	2.4
235.07632	2.1
241.07515	1.3
245.06027	8.2
246.06773	1.8
247.07852	0.8
249.05426	1.1
249.09125	1.8
250.06293	1.0
259.08557	2.8
260.08920	0.9
261.05563	4.0
261.08005	0.5
262.06177	2.8
263.07101	5.1
264.07870	1.3
265.05112	0.5
265.08560	2.6
267.09283	1.1
268.09418	1.3
273.05511	8.0
274.06439	0.6
275.07083	1.4
276.07809	3.1
277.05399	0.9
277.08563	11.6
278.09332	3.0
279.06613	1.2
281.08170	0.7
285.09976	1.8
286.10498	0.9
289.05072	2.2
289.08566	4.5
291.06537	2.1
292.07239	1.2
293.08145	2.9
295.09586	1.1
299.03238	0.9
301.04904	5.5
303.06534	3.2
305.08051	21.4
305.11523	1.1
307.06110	0.7
307.09552	1.3
319.06088	1.5
320.06912	0.9
321.07574	5.0
323.09177	2.4
325.10553	3.9
333.07578	26.5
335.08987	2.9
335.64536	0.8
336.14767	0.6
337.10660	29.3
347.09534	0.6
348.65207	0.9
351.08640	14.7
351.12762	1.5
351.65555	0.8
353.10532	1.1
355.11646	1.1
365.10208	8.7
365.14206	0.9
382.36047	0.7
383.11203	9.6
383.15637	1.2
383.22824	1.9
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
55.01874	4.8
55.05501	1.9
56.96551	2.2
56.98980	1.9
57.03431	3.5
57.07062	2.3
61.02929	3.1
67.05510	3.3
69.03415	9.5
70.06590	6.1
70.28887	8.0
72.04517	5.8
73.02940	3.2
73.18785	1.9
74.06073	3.3
76.34757	1.9
79.05490	7.2
81.03413	5.7
81.07062	9.6
84.04507	3.5
85.02921	10.7
89.06066	2.2
90.05556	15.5
91.04977	1.6
91.05463	11.1
93.07040	21.5
95.05006	3.1
95.08620	4.5
97.02885	5.8
98.02441	4.1
98.97585	3.0
102.05513	2.5
105.07041	4.0
107.04953	2.2
107.08595	18.1
109.02852	6.0
109.06493	9.7
109.10127	2.9
111.08063	4.0
111.36385	1.8
114.86208	2.0
116.03443	3.8
116.07112	2.0
116.98636	2.0
117.22072	1.9
119.04957	2.5
120.00394	1.8
120.08116	15.7
121.10149	16.9
123.08101	3.1
123.11643	3.5
124.07581	4.9
127.03902	5.1
131.08571	8.0
133.06488	2.1
135.04391	2.2
136.07593	3.5
142.08644	3.8
145.06027	2.1
147.04485	2.5
149.09593	11.2
151.11133	3.4
158.05978	2.2
161.03075	2.7
163.03865	5.5
163.44083	2.4
166.08620	5.4
167.10683	100.0
175.03865	2.1
177.05403	2.1
184.09717	5.5
185.11690	4.0
186.05609	2.6
189.05467	2.4
196.00150	1.8
199.06007	4.4
201.11279	2.0
202.10701	20.6
204.06557	5.1
214.12793	2.3
217.07028	3.4
220.11807	17.1
221.09261	5.6
234.09653	4.0
324.17062	1.9
328.13867	4.5
346.14859	5.0
364.16107	11.1
382.16574	10.0
382.21420	5.5
383.13211	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	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07035	1.9
55.05511	3.9
67.05492	8.0
69.03419	8.8
69.07056	6.7
69.24561	8.7
69.25001	10.5
70.06574	3.0
77.65956	2.1
79.05513	13.5
81.07082	12.6
83.04966	5.4
85.02885	5.6
91.05479	5.4
93.07059	22.2
95.08605	13.7
97.02897	23.0
97.06535	2.9
105.07030	6.5
107.08572	7.0
109.06495	5.6
109.10167	3.8
111.04468	10.0
121.09354	2.6
121.10167	36.9
123.08009	2.9
125.05998	6.5
126.94302	2.0
127.18370	2.3
127.90355	2.8
131.08574	6.6
139.11191	4.8
149.09644	19.5
157.12247	3.0
167.10692	100.0
178.85211	2.1
185.10188	3.4
185.11746	41.9
203.12796	32.7
382.15323	11.4
382.21637	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	381.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28408	1.9
56.96569	1.9
57.03440	2.3
67.05496	3.9
69.07040	1.9
69.18188	15.7
69.18595	5.9
70.06681	1.9
75.04490	5.0
79.05487	4.3
81.07041	3.2
84.98102	1.9
88.69632	1.9
91.05476	8.7
92.38828	1.9
93.07065	3.7
94.10194	1.8
95.04956	3.6
97.06534	4.4
103.05455	4.1
105.03394	11.1
105.07024	3.5
107.04943	2.5
109.06544	2.3
113.00000	2.2
115.05437	17.8
116.06216	1.8
117.07025	8.3
121.06532	4.4
130.04160	4.6
131.04910	11.8
132.05728	2.5
133.02852	7.2
133.06502	5.4
133.10091	2.7
143.04913	3.8
145.06494	47.0
146.07256	13.5
147.04489	2.1
147.08040	10.0
162.06789	6.0
165.05492	18.5
173.05991	38.2
175.07486	5.3
176.04729	3.3
176.06223	2.3
177.07011	4.5
177.09120	8.9
178.07779	2.8
189.05515	3.7
189.06935	11.2
190.06262	3.6
190.07745	11.7
191.08540	8.1
195.08069	2.1
199.07561	6.7
200.06299	3.8
201.06995	15.8
202.07788	38.9
203.08560	12.0
205.06584	9.0
205.08577	100.0
206.07253	2.9
213.05392	5.6
215.08574	8.2
217.06581	3.7
217.10164	5.5
218.07300	13.5
219.06244	4.2
219.08221	10.4
229.06383	21.3
230.07280	11.5
231.08040	16.5
232.08818	3.8
233.05966	3.7
233.09583	6.5
243.08086	2.3
245.05885	4.8
245.09636	4.8
246.06743	11.0
247.07526	4.5
249.09146	7.5
257.06030	25.9
258.06808	6.4
259.07541	13.0
261.09149	13.3
263.06973	3.0
269.17435	5.6
271.16989	2.1
273.05472	4.1
273.09097	4.4
274.06183	5.3
275.07025	13.9
276.07794	3.7
285.05493	15.4
287.07053	9.3
289.08591	62.6
290.09415	11.5
290.12106	2.0
291.06702	2.8
291.09995	2.6
293.11542	2.5
303.06451	7.2
317.08069	57.2
319.09665	10.1
321.11099	14.7
335.09192	4.4
337.10809	20.0
349.10721	56.0
349.13806	1.4
351.12155	3.7
381.13367	9.8
381.23520	2.6
389.77808	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79557	1.6
52.26998	1.7
53.03932	1.9
53.23651	1.7
55.05505	6.4
57.03425	3.6
60.40044	1.8
67.05500	4.6
69.07065	4.1
70.13954	8.0
74.35959	1.7
75.04482	2.4
79.05490	4.1
81.03394	3.3
81.07044	7.6
83.04971	6.3
91.05489	6.5
93.07077	2.5
95.04964	4.0
95.08604	4.0
95.91956	1.9
97.02883	2.5
105.03381	4.6
105.07025	5.4
107.04939	2.8
107.08582	3.8
119.08589	4.2
121.10117	3.4
128.06239	2.2
129.06984	2.0
131.08604	2.6
133.02895	3.9
133.10133	2.1
135.04411	1.7
135.11572	2.5
139.03876	14.1
141.06982	4.1
143.08504	2.5
145.10120	2.7
147.03233	2.8
150.03108	6.1
157.01666	3.0
162.37762	2.0
165.05486	38.2
165.06903	3.3
171.08022	2.6
173.09520	2.4
177.06969	6.0
178.07826	6.5
179.08450	3.0
186.06769	7.7
189.05400	3.8
189.06944	20.1
190.07767	19.5
191.08531	12.3
192.05704	2.0
199.07516	2.8
199.14896	2.4
200.06192	3.0
201.07022	19.9
202.07779	59.5
203.08556	31.4
204.09268	4.6
205.06444	16.5
205.10149	3.5
206.07256	4.6
207.08078	4.4
215.08569	6.7
216.05705	3.6
216.09331	3.3
217.06458	15.4
217.10143	9.0
217.12099	2.4
218.07288	22.8
219.08015	17.4
220.05190	2.2
220.08749	3.2
221.05753	2.6
221.09647	7.9
223.05022	5.3
229.06474	48.0
229.08624	50.9
230.07224	26.6
231.08040	41.6
232.08878	5.0
233.05936	7.6
233.09644	13.5
234.06747	5.5
234.10345	2.2
235.07536	3.5
243.08318	2.4
244.05156	5.8
245.05908	9.0
245.09604	14.2
246.06839	16.3
247.04892	17.1
247.07597	11.9
247.11235	2.9
248.08281	2.4
249.09097	15.2
257.05954	50.3
258.06839	14.1
259.07523	47.9
260.08173	2.7
261.05984	3.0
261.09097	31.6
262.06436	3.4
262.09814	6.1
263.06985	8.1
265.05978	6.5
267.09137	3.1
269.17517	3.5
271.17126	2.4
273.05450	5.0
273.09109	6.5
274.06253	8.9
275.07068	12.3
276.07776	7.7
277.08459	4.1
279.10223	3.7
280.20908	2.0
285.05432	21.1
287.07040	6.0
288.07474	2.0
289.08566	94.5
289.17773	2.8
290.09274	16.4
291.06769	4.1
291.10138	37.5
293.08292	2.2
294.92831	2.1
296.24622	2.2
302.05792	3.0
303.06519	18.9
303.09949	4.5
304.07138	2.8
305.08133	2.8
307.09842	3.5
316.06946	2.4
317.08072	100.0
318.08334	3.1
321.04880	8.1
321.11069	15.1
322.11929	14.7
335.09134	13.3
349.10693	64.9
363.21783	2.7
367.11673	3.9
381.13351	48.3
381.24161	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	380.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
60.79860	0.6
67.05499	1.0
69.03413	0.8
69.80539	0.7
71.42751	1.2
73.02911	3.9
79.05509	3.6
81.07045	1.6
83.04981	0.9
85.02918	3.7
91.05496	1.9
93.07062	6.2
95.08607	5.4
97.06524	2.8
100.57847	0.7
102.41992	0.7
105.07033	4.9
107.04955	4.5
107.08603	3.2
109.02914	0.9
109.10152	2.2
114.37229	0.6
117.07074	0.8
119.08604	7.2
121.10149	7.5
123.08067	7.5
135.08057	3.8
137.09622	5.7
137.49260	0.6
147.08070	2.9
149.47453	0.7
153.09114	12.7
154.25287	0.7
165.09129	20.0
165.10536	1.3
169.90765	0.7
178.55785	0.6
183.10181	8.6
188.00667	0.8
201.11232	100.0
201.86116	0.7
225.55226	0.8
268.87769	0.8
344.01373	0.6
380.16232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0584
Annotation	Potassium lespedezate
Peak:m/z	Relative Intensity
50.31214	4.0
53.03962	5.2
56.96567	4.6
65.03946	4.1
67.05508	6.8
69.03423	11.2
70.06596	8.9
71.55497	5.2
75.81013	3.7
81.03422	8.9
81.07034	7.1
84.08123	6.1
84.38354	3.8
85.02908	9.1
86.09717	14.8
91.05491	12.1
95.04964	4.1
95.08625	4.9
95.40137	4.2
97.02879	8.9
97.06542	4.6
98.97563	9.6
105.07048	9.6
107.08568	7.3
117.07016	5.2
119.04910	5.1
120.08140	5.6
121.10164	5.9
131.05037	4.1
145.10158	4.6
147.04492	7.1
151.03952	4.8
165.12785	10.0
173.02461	4.5
175.03931	6.8
177.05496	6.8
189.05591	6.1
191.03448	9.2
193.66725	4.2
205.04927	6.3
217.03448	4.3
219.00533	100.0
237.02827	5.3
275.92667	5.0
303.13535	16.0
328.41782	4.3
331.13019	6.2
349.13974	6.7
363.18912	6.8
381.05725	93.6
381.10095	7.5
381.14514	23.8
381.19748	7.7
385.11484	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	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
68.64261	3.2
71.23804	3.8
72.33275	2.4
76.47700	2.4
100.46471	2.2
103.08448	2.1
175.01869	2.4
223.06544	3.0
238.00764	2.4
256.44815	2.4
303.02100	3.4
375.29129	3.0
380.00488	2.5
381.07950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03820	6.2
130.64717	1.3
144.46626	1.4
180.93225	1.3
201.01648	3.3
219.02763	2.5
381.07947	100.0
396.90909	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86435	1.8
53.03938	2.5
57.03424	2.4
62.16665	2.4
67.05511	5.8
69.03375	2.6
70.29423	2.3
71.55195	4.1
75.04481	8.9
79.05473	2.4
81.07044	3.5
91.05469	9.5
93.07017	4.1
95.08594	2.6
97.06517	4.7
103.05478	6.5
104.06197	2.0
105.03395	8.9
105.07039	6.9
107.08564	2.4
109.10178	2.6
115.05453	17.2
116.06226	2.4
117.07030	8.0
119.08624	2.4
121.06461	4.1
128.06244	2.5
129.07018	2.6
129.60661	1.9
130.04141	7.9
131.04912	10.5
131.08536	2.9
132.05812	2.7
133.02827	8.8
133.06499	4.3
133.10118	3.4
143.04895	4.8
145.06488	51.3
146.07269	16.1
147.08041	10.2
150.03157	2.5
162.06790	6.1
165.05473	21.6
173.06004	32.6
173.13139	2.5
175.07536	8.8
176.06168	2.1
177.09018	10.4
178.07794	2.7
179.08571	3.1
189.05501	2.7
189.06996	10.2
190.06248	2.7
190.07758	8.2
191.08540	8.4
199.07538	6.7
199.82324	2.0
200.06305	3.7
201.07013	14.4
202.05890	2.7
202.07758	45.1
203.08624	15.2
204.09283	2.5
205.06602	7.3
205.08585	100.0
205.10045	4.3
213.05469	5.3
215.08586	4.4
216.09396	2.2
217.06557	2.5
217.10106	9.1
218.07243	12.2
219.06261	3.9
219.08217	10.5
229.06435	27.0
230.07237	16.5
231.08029	21.3
232.08830	3.5
233.06030	3.8
233.09714	5.9
234.06892	2.4
243.08134	4.2
245.05930	5.0
245.09621	6.1
245.84483	2.3
246.06764	8.3
247.07562	5.5
249.09084	7.4
257.05966	23.8
258.06708	3.3
259.07584	12.6
261.09082	15.0
262.10117	3.0
263.07004	3.0
269.17612	7.1
273.05453	5.8
273.09048	6.0
274.06229	5.3
275.07053	15.2
276.07806	7.7
277.08710	2.4
285.05331	14.8
287.07013	11.7
289.08572	64.2
290.09259	11.4
291.10120	4.1
293.11694	2.4
303.06543	8.0
317.08060	62.1
319.09576	8.6
321.11145	11.7
335.09128	6.6
337.10638	22.2
349.10709	63.0
351.12170	3.9
351.50296	2.2
381.13446	12.3
381.27911	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	377.1444
Annotation	Euphroside
Peak:m/z	Relative Intensity
51.79322	2.0
55.05523	2.1
69.60958	5.7
69.61379	7.2
71.01368	3.9
79.05485	6.8
81.06598	4.4
81.07059	76.5
83.04973	3.4
85.02908	4.8
86.09709	2.4
98.12590	2.0
98.20657	1.9
99.04473	2.2
99.09463	2.1
105.07027	19.1
109.06500	8.0
111.04422	4.1
119.04948	16.1
123.08061	3.3
133.06491	9.8
137.05983	64.3
139.03915	2.7
151.07542	43.5
153.05466	2.5
155.06981	3.9
161.05981	68.3
179.07045	100.0
197.08096	36.5
215.09129	9.4
216.12370	3.5
227.25761	2.3
271.99704	1.9
274.07483	2.3
341.16995	3.0
377.13998	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	377.1455
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
50.13539	0.6
53.03933	1.3
55.01875	0.7
57.03442	5.8
59.04992	0.7
61.02923	3.3
69.03432	12.1
71.01341	2.6
71.04986	3.2
71.21825	1.2
73.02911	1.7
75.04468	2.5
81.03429	4.0
81.28222	0.6
87.04478	0.9
99.04465	4.2
106.52906	0.6
114.27034	0.6
117.05518	0.9
120.08057	0.8
130.06535	0.9
137.05914	0.8
145.07631	1.4
148.43483	0.6
170.07234	1.2
172.08704	26.4
179.10678	0.7
190.09740	1.0
198.06641	5.6
200.08279	4.0
215.14844	0.7
216.07701	13.4
243.08783	63.9
244.07056	0.8
244.09294	0.8
272.38300	0.7
316.13049	0.7
321.96268	0.7
359.13528	2.6
377.14517	100.0
378.14713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
56.82946	0.8
56.96555	1.6
65.03915	0.9
67.05508	1.8
69.03438	1.2
69.67563	4.0
69.67972	1.8
70.06597	1.4
73.02911	1.3
74.92084	0.8
78.14091	0.8
79.05482	2.7
81.03415	1.1
81.07052	4.3
82.82747	1.4
85.02903	3.8
86.95470	0.9
87.08994	0.8
91.05473	3.9
93.07031	3.4
95.04955	1.5
95.08624	1.9
97.02895	2.0
97.06503	1.2
98.20783	1.5
98.97582	2.4
103.05464	5.7
105.07022	3.5
107.04962	2.0
107.08637	1.2
109.06504	1.6
109.10168	1.2
117.60101	0.9
119.04945	2.4
119.08588	5.4
119.78378	0.9
120.08110	100.0
121.10161	2.7
123.08077	3.3
127.03899	1.3
127.33278	0.9
131.04938	3.1
135.08060	2.4
136.07588	2.1
137.05998	4.9
137.09605	2.8
147.04413	2.5
147.08073	2.1
149.05983	1.4
151.07559	1.4
153.09105	5.5
161.05977	2.2
165.09111	8.9
166.08647	55.9
179.07057	5.1
183.10217	4.4
189.05447	1.3
201.11226	35.9
215.09148	1.7
218.04659	1.4
234.63843	1.0
237.02777	1.4
285.30847	0.9
314.70920	0.9
367.39484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46851	5.4
53.03938	7.1
55.05505	19.2
57.03479	6.1
57.80075	6.0
64.21571	5.5
65.60098	6.8
67.05515	34.9
69.03434	8.4
69.07067	9.6
71.56371	7.4
79.05503	21.9
81.07059	58.8
83.08626	8.7
91.05493	51.2
93.07048	76.7
95.04971	37.8
95.08609	56.6
97.06536	10.2
98.44017	6.1
105.07033	100.0
107.08590	36.4
109.06522	14.9
109.10167	36.6
117.07050	17.8
119.08580	80.1
121.06512	17.6
121.10147	62.9
123.08049	8.9
123.11732	13.6
128.06131	11.5
129.07068	9.3
130.07793	10.4
131.08586	44.0
133.10078	42.6
135.11726	20.2
137.05960	19.5
138.06245	8.5
142.07782	17.0
143.08574	28.6
145.10132	49.6
147.11665	18.2
155.08566	10.6
156.09326	9.2
157.10141	42.3
159.11699	26.9
161.09651	13.8
169.10136	12.9
170.05090	6.4
171.11700	14.9
173.13298	20.0
175.14842	12.6
178.27350	5.7
181.10028	7.2
183.11662	11.0
185.13353	8.3
187.14792	15.4
193.10104	7.5
194.10905	6.7
197.13263	7.7
201.12732	7.2
209.13281	13.5
211.14781	7.2
269.12418	12.2
375.26462	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1419
Annotation	Ile-His-OH
Peak:m/z	Relative Intensity
51.00826	0.7
56.96557	1.6
58.66712	0.6
63.28950	0.6
69.03427	1.5
71.54911	1.1
72.72044	0.8
79.05508	1.0
81.07047	1.2
85.02913	1.9
91.05501	1.0
95.83646	0.8
98.97591	2.4
119.04961	1.2
147.04395	1.7
161.05988	1.3
163.03937	1.4
177.00758	1.0
179.07001	1.0
189.05428	1.1
207.06583	1.1
213.54236	0.7
219.01653	0.9
237.02890	1.2
312.72040	0.6
320.72974	0.8
377.08548	7.2
377.14157	100.0
378.14389	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2381
Annotation	Manglieside C
Peak:m/z	Relative Intensity
51.04014	1.1
53.03935	2.2
55.05511	7.5
57.03445	1.5
57.07080	1.4
66.46617	1.3
67.05500	4.1
69.03436	3.4
69.07076	11.8
69.73034	2.3
69.73442	4.4
71.04989	3.8
72.08142	3.5
72.78364	1.2
77.99315	1.2
79.05491	5.1
81.03422	2.4
81.07057	15.9
83.05029	1.3
83.08601	6.3
84.04498	3.4
84.08153	1.4
85.02908	7.2
85.06557	2.9
86.09721	9.9
87.10049	3.0
91.05494	3.6
93.07050	9.7
95.08610	21.9
97.02911	1.8
97.06612	1.2
97.10177	4.7
98.97597	2.7
99.08105	12.5
105.07034	3.3
107.08596	24.9
109.10152	6.1
111.08114	5.9
113.09606	1.5
119.04937	1.6
120.08105	2.2
121.10152	41.7
121.11039	2.2
123.11701	2.1
125.09631	5.0
127.03851	1.7
132.10210	1.3
135.11713	8.8
137.05986	6.2
137.13257	5.4
138.09079	1.2
143.11787	2.0
146.06058	1.9
149.05983	1.3
149.13191	2.1
161.06088	1.6
163.39951	1.3
167.07019	2.5
177.16396	100.0
186.37602	1.5
188.07117	3.1
189.05618	1.4
195.17479	15.5
195.19115	2.2
205.09872	1.7
213.18503	31.8
216.14246	2.4
337.28818	1.5
375.19461	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	375.2379
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03931	1.6
55.01883	3.0
55.05520	8.0
57.03425	2.0
67.05502	5.0
67.46750	1.4
69.03423	5.9
69.07065	9.6
69.95531	1.5
70.20255	5.9
71.04979	2.1
77.36315	1.8
79.05483	5.7
80.33710	1.8
81.03419	8.6
81.07040	13.2
83.04980	2.2
83.08611	6.6
85.02911	10.5
91.05474	3.9
93.07057	9.9
93.23610	1.5
95.04955	5.3
95.08610	25.0
95.99654	1.7
97.10173	3.9
99.08099	12.1
100.09579	1.8
103.05402	1.8
105.07015	3.2
107.04951	2.2
107.08598	25.9
109.02895	2.1
109.10174	10.0
111.08089	7.1
119.08605	3.3
121.10152	38.2
123.11703	2.8
125.09641	4.0
129.05499	3.1
129.06982	2.3
131.04921	2.9
133.06512	2.2
135.11729	9.5
137.05989	3.6
137.13274	3.9
149.13309	2.3
157.10054	1.8
161.05910	1.9
173.05917	2.1
177.05464	2.0
177.16402	100.0
185.13095	1.8
187.07550	1.8
188.85927	1.5
193.12239	3.2
195.17473	18.0
211.13184	2.5
213.18510	25.1
285.10986	4.4
301.14343	3.3
339.18082	3.7
375.18295	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	375.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
53.13984	2.0
55.01887	4.6
55.05514	19.4
56.10978	2.2
57.03434	8.2
58.96968	1.9
61.02926	5.2
67.05497	15.6
69.03085	4.1
69.03432	44.4
69.07069	12.3
69.28764	18.8
71.04993	10.9
74.28268	2.2
79.05505	15.6
81.03420	52.4
81.07062	24.2
82.66513	1.9
83.04985	34.1
83.08630	22.0
85.02903	20.3
85.06525	3.2
87.04456	4.4
91.05501	18.4
93.07036	16.2
95.04968	18.6
95.08613	26.5
97.02890	5.1
97.06548	6.7
97.10166	7.0
98.20779	3.7
99.04468	9.2
99.08102	11.3
105.07031	13.8
107.04969	5.0
107.08607	33.9
109.06551	2.3
109.10177	9.9
111.04443	21.4
111.08081	13.4
119.08604	10.1
121.10146	56.2
123.08051	2.4
123.11714	2.9
125.09616	3.1
127.69535	2.5
128.79855	2.2
129.05490	38.0
129.06979	5.8
131.08571	5.8
133.10147	7.6
133.43555	2.5
135.11700	11.3
137.05928	3.8
137.13254	8.5
145.44574	1.9
146.05908	2.4
147.06538	6.0
147.11661	10.2
152.72948	2.1
157.10110	8.7
165.07611	2.3
175.11186	9.6
177.16400	100.0
188.07086	3.8
193.12254	37.1
195.17467	17.9
205.09816	2.3
211.13287	46.0
213.18481	31.9
226.41510	2.3
229.14354	5.3
339.18005	30.2
357.19141	13.2
390.52356	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01873	7.3
55.05514	18.7
56.96570	1.9
57.03449	11.7
58.86946	2.1
59.04997	2.3
59.37291	2.2
61.02927	11.5
65.03944	2.2
65.65610	1.8
66.14864	2.0
67.05506	16.3
69.03434	100.0
69.07077	7.2
69.22384	4.6
69.22797	16.8
71.04988	9.2
71.43932	1.9
73.02902	2.3
79.05502	17.0
81.03420	86.7
81.07050	23.2
83.04984	35.7
83.08623	14.2
85.02910	30.4
86.09759	2.0
87.04480	11.1
91.05484	17.3
93.07047	14.0
95.04967	18.9
95.08618	12.0
97.02871	4.2
97.06519	3.8
97.10165	2.8
98.97586	3.0
99.04467	23.4
99.08086	4.5
103.03938	6.6
105.07040	13.7
107.04945	6.6
107.08588	13.9
108.08134	2.6
109.02882	5.0
109.06544	3.8
109.10174	13.0
110.10506	4.1
111.03709	3.0
111.04449	29.3
111.08071	8.6
115.05481	2.0
117.07031	3.3
119.04928	2.9
119.08596	15.2
120.60438	1.8
121.06500	2.4
121.10139	17.4
122.06039	5.4
123.11733	3.5
125.09652	2.1
127.03872	2.5
129.04507	3.6
129.05487	71.4
129.07024	7.4
131.04916	3.2
131.08575	7.5
133.06528	5.5
133.10150	6.4
134.10434	2.6
135.04437	1.9
135.11673	9.7
136.12048	5.5
137.05991	17.2
137.09608	2.4
137.12328	2.0
138.06320	3.3
140.07074	4.1
142.07741	3.1
145.10080	2.5
146.06015	3.7
147.04547	2.4
147.06537	27.3
147.07803	2.9
147.11674	7.6
148.03966	9.0
149.09547	4.4
157.10133	7.0
161.05988	3.0
163.07520	3.4
165.07619	15.6
167.07011	3.7
174.05490	3.7
175.11180	10.4
175.14812	2.8
177.09097	2.9
177.16376	23.7
188.03424	4.1
193.12250	41.4
193.15868	2.8
195.17529	3.6
199.07903	3.3
202.05035	11.0
203.05997	2.0
204.06563	5.3
211.13292	26.4
212.17317	3.4
213.18436	6.9
234.07602	23.1
236.09195	7.5
271.10214	3.0
273.14890	2.5
287.05640	2.3
301.11636	2.9
339.14288	3.0
339.18060	39.8
343.12836	9.4
357.18954	6.8
361.14093	3.7
375.11374	2.5
375.18033	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	375.1287
Annotation	Arborescosidic acid
Peak:m/z	Relative Intensity
53.03933	4.7
53.42076	1.2
55.01865	1.4
61.02905	1.6
65.61813	1.5
69.03412	4.6
69.64415	8.2
71.61028	1.5
72.08170	1.8
79.05486	3.4
81.03420	3.2
81.07066	6.9
83.34641	1.6
84.04456	2.3
84.08125	1.8
85.02909	8.3
86.09687	4.2
88.03973	1.6
91.05486	12.3
93.07044	17.1
95.04955	4.6
97.02869	2.4
103.05441	6.0
105.07038	6.9
107.04983	2.2
109.06516	1.9
121.06509	68.7
125.02337	1.5
127.03895	4.4
131.04903	3.4
133.06482	2.2
135.04420	3.9
137.05977	1.8
145.04929	2.5
147.04362	1.8
149.05986	100.0
151.07651	1.3
159.04448	4.1
161.05956	1.4
165.05489	2.1
167.07039	23.2
177.05476	62.3
185.49132	1.2
193.04895	1.7
195.06529	48.9
213.07623	13.2
339.10864	2.4
375.06821	1.6
375.12152	2.9
375.16309	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	375.069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32200	5.5
58.57406	5.9
62.82324	6.1
62.98241	14.2
69.03433	13.7
70.94763	10.4
74.86896	5.4
84.08162	11.1
85.02893	19.0
97.02875	8.1
119.08550	8.0
123.48984	6.0
127.03870	7.8
143.01920	9.2
149.06075	7.1
153.03166	15.5
157.03606	7.4
174.03661	8.8
184.05710	6.5
189.32410	6.6
193.00819	23.3
195.06824	7.4
203.08492	29.1
204.07423	18.8
205.05586	17.8
223.06630	18.3
245.04854	14.2
262.08417	6.0
265.07684	14.4
267.68015	6.5
283.58505	7.9
284.11002	47.4
284.61148	13.4
375.06638	100.0
375.10815	27.2
375.16458	79.3
387.76630	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	375.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28074	0.5
55.05512	0.5
56.96561	0.6
58.75129	0.5
60.97082	0.5
69.03427	1.0
70.06578	0.7
70.66201	1.4
72.08147	2.0
81.03397	0.6
83.04975	0.5
84.08141	0.7
85.02892	1.4
86.09709	3.0
89.69109	0.6
97.02936	0.7
98.97599	1.2
132.90924	0.5
135.04375	1.1
137.05940	1.5
137.09621	0.5
149.09633	0.5
150.06335	0.7
153.05437	0.6
163.03963	1.4
173.12868	0.7
175.10789	0.8
177.09218	0.7
177.47906	0.5
178.05919	0.5
185.04175	1.7
195.06561	1.0
196.06851	0.7
201.12427	1.1
213.07349	100.0
214.07788	0.7
236.28946	0.5
246.94542	0.5
289.52362	0.6
301.72275	0.6
329.06320	2.3
357.05853	2.9
357.09866	0.5
375.06970	8.9
375.12604	41.0
398.60580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01872	1.2
57.03423	2.0
61.02919	2.4
67.05495	0.7
67.69810	0.6
69.03437	5.1
69.56238	0.5
70.06574	0.9
70.78925	1.4
71.04985	0.9
73.02905	1.0
81.03411	2.3
84.08121	0.7
85.02910	20.9
87.04444	0.7
89.03915	3.9
91.03972	1.3
91.05488	1.9
93.03388	0.8
95.04961	1.3
96.05260	0.6
97.02896	5.6
99.04470	0.8
99.08074	1.5
100.08415	1.0
109.02860	1.5
109.10133	1.9
110.10510	0.7
111.04395	0.8
117.03383	15.9
119.04929	1.1
121.06504	0.6
125.05981	1.9
127.03907	4.0
134.03661	1.3
134.10423	0.7
135.04424	2.0
137.05975	3.6
138.06314	2.3
138.09973	0.7
139.03886	0.5
145.02849	43.7
145.04758	5.0
147.04350	1.7
149.05984	12.3
153.05472	6.7
162.03108	0.8
163.03911	5.1
171.99915	0.5
177.05473	100.0
178.05850	1.3
180.08661	2.0
181.61581	0.7
186.05573	0.5
193.15828	0.7
194.16255	2.0
195.06535	56.4
211.16917	0.6
212.09200	0.8
212.17360	1.2
245.81822	0.6
279.08530	0.6
374.18735	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.6
55.05507	6.5
57.03442	1.5
57.07064	2.4
67.05508	11.0
69.03429	5.6
69.07065	7.5
70.06604	1.8
71.54150	1.5
71.54517	2.4
74.72812	1.4
79.05498	3.6
81.03416	2.6
81.07062	9.7
83.05001	3.4
83.06129	2.2
83.08627	1.8
84.04495	2.5
84.08138	1.7
85.02907	7.3
85.06548	3.5
86.09714	14.9
91.05486	5.4
93.07053	9.2
94.04177	2.8
95.04958	4.3
95.08615	17.0
95.27309	1.4
97.02907	3.1
97.06536	2.5
99.08100	14.6
105.07030	7.3
107.04967	1.7
107.08601	14.2
109.06569	2.9
109.10168	37.1
111.08094	3.0
119.08582	21.5
121.06511	4.1
121.10139	9.2
122.03657	6.4
123.08115	4.5
123.11716	4.5
127.03935	2.1
130.06529	2.5
131.08528	2.1
132.10199	2.4
133.10144	31.0
135.11697	34.0
137.05989	100.0
137.09604	13.8
145.10167	1.6
146.07173	2.3
147.04430	2.0
149.06026	3.2
149.13205	3.0
151.07576	10.3
151.11200	5.6
151.14803	3.3
157.07616	6.5
162.06776	1.9
170.13281	1.5
175.14828	33.2
177.09174	9.2
177.16382	2.2
193.12396	1.7
193.15895	30.8
196.14610	1.6
197.12782	1.8
203.69180	1.7
211.16945	13.7
214.09668	2.4
228.13396	1.4
235.11234	1.5
237.11201	2.3
242.15010	4.0
274.09750	1.7
295.13284	2.5
305.11572	8.0
323.12839	2.6
337.14417	5.2
355.15549	2.3
355.22842	1.8
373.09930	2.0
373.18448	33.1
373.23145	1.7
388.64124	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.0
55.05509	5.6
55.90834	1.2
57.03416	2.3
61.02956	1.5
67.05506	18.4
69.03420	7.3
69.07057	5.0
69.65368	9.4
79.05482	2.8
81.03422	1.8
81.07047	9.7
81.33759	1.3
83.04981	23.5
83.06108	1.6
83.08618	1.8
84.04475	1.9
85.02908	16.3
86.09704	9.6
91.05484	2.1
93.07050	4.8
93.92175	1.3
95.04966	60.6
95.08614	12.6
96.17994	1.6
97.02884	6.7
99.08113	8.2
107.08575	6.6
109.02868	2.2
109.06498	5.8
109.10155	72.8
119.08607	6.7
121.10158	5.3
122.03603	1.4
123.08040	1.9
123.11707	5.9
126.01064	4.1
127.03940	3.0
129.08438	1.7
133.10127	8.6
135.08069	3.5
135.11710	8.1
137.05998	20.3
137.09618	73.8
145.04980	2.6
149.13176	1.9
151.07501	3.2
155.10651	13.5
165.16393	4.9
175.14845	7.1
177.09079	2.7
193.15887	100.0
197.11650	2.1
211.16927	31.9
211.18813	2.8
217.15868	2.5
235.17000	1.7
242.15031	3.0
252.18716	1.4
258.74139	1.4
263.12799	1.8
269.06723	1.6
271.90927	1.5
281.14188	1.6
305.11691	2.5
319.19083	3.0
337.20065	4.1
358.89844	1.5
363.81174	2.0
373.18079	2.5
373.22351	2.3
396.45947	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03939	0.8
55.01857	0.9
55.05514	7.3
55.75723	0.7
57.03428	1.5
57.07061	1.0
61.02898	1.0
67.05508	19.1
69.03431	4.2
69.07062	3.7
69.58480	3.1
69.58887	2.1
71.04964	0.9
72.08131	1.3
79.05484	2.9
81.03413	2.6
81.06662	0.8
81.07056	9.3
83.04985	22.1
83.06066	0.8
83.08615	1.5
83.90038	0.7
84.04497	1.1
85.02908	12.1
85.06550	1.2
85.38456	0.8
85.50858	0.8
86.09693	3.2
91.05474	2.2
93.07034	3.8
95.04971	44.4
95.08608	10.5
97.02917	4.4
97.06516	1.6
98.97600	0.9
99.04449	1.3
99.08080	4.5
101.06026	1.0
105.03401	1.8
105.07011	2.4
107.04976	1.2
107.08593	5.6
109.02843	1.1
109.05872	0.8
109.06500	4.2
109.10162	81.1
110.10522	0.9
119.08603	4.7
121.06526	1.9
121.10143	4.9
123.08054	1.7
123.11679	4.4
126.01070	1.5
127.03931	2.1
127.85226	0.8
132.10213	1.1
133.06482	1.1
133.10124	4.3
135.08049	2.6
135.11723	5.0
137.05994	20.6
137.09619	68.7
145.04962	2.0
147.07985	1.0
147.11679	1.4
149.02290	0.8
149.09555	1.7
151.07532	2.3
151.11185	1.0
153.09050	1.3
155.10669	9.8
161.09615	2.9
165.09180	1.2
165.16350	4.3
175.14833	3.0
177.09164	2.3
179.03450	5.8
179.06996	1.0
179.10599	1.6
189.09123	1.2
189.12740	1.4
193.15887	100.0
196.14665	0.8
203.05222	1.0
211.16953	28.4
217.15892	5.2
235.16949	2.9
253.18098	1.3
263.12827	0.9
269.06873	1.0
277.18124	1.3
279.09848	1.2
281.13800	1.8
287.08002	0.9
305.11627	1.8
318.13779	0.8
319.19028	2.3
323.89539	1.0
337.20181	4.0
373.18323	12.5
373.22565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.2
55.05525	2.1
56.96567	1.9
65.03945	1.2
67.05514	8.5
69.03420	3.1
69.07073	5.4
69.33787	8.0
71.54647	1.1
73.80131	1.0
79.05489	3.6
81.03439	1.5
81.07057	8.0
83.04992	3.0
83.08618	3.0
84.45838	1.1
85.02917	6.3
85.06573	1.4
85.62221	1.0
86.09691	1.7
91.05496	4.1
93.07050	4.2
94.04196	1.4
95.04984	2.5
95.08612	9.9
97.02885	1.5
97.06542	3.0
98.97610	1.5
103.05498	2.2
105.07029	2.2
107.04951	2.6
107.08602	7.4
109.06515	2.9
109.10164	31.5
111.08059	1.3
115.05447	2.2
119.08588	13.3
121.06522	3.5
121.10149	3.7
122.03664	8.1
123.08082	4.8
123.11760	1.9
131.04916	1.7
133.10136	7.5
135.11694	31.1
137.05989	100.0
137.09592	5.1
145.06474	1.7
146.07295	2.2
147.04436	2.4
147.08107	1.3
149.06003	3.1
149.13263	2.7
151.04015	1.2
151.07547	9.4
151.11182	3.0
151.14841	4.1
153.05565	1.8
161.09633	1.0
165.05490	2.3
167.07028	3.9
175.14816	13.3
177.05482	4.0
177.09106	8.5
179.07056	2.0
189.05527	1.4
189.09128	1.7
193.15897	21.5
201.09186	1.4
211.16940	23.9
219.10266	1.1
237.11172	2.5
241.12283	1.8
274.09897	1.4
275.09845	1.4
295.13220	2.3
305.11749	8.0
323.12985	1.9
337.14197	3.7
355.11713	2.0
355.15781	3.6
373.16248	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
55.05507	0.5
56.96556	0.5
57.65520	0.4
61.10131	0.4
67.05490	0.3
69.03399	0.5
70.35818	0.8
70.36222	0.8
71.04986	0.3
72.08147	1.7
79.05486	0.6
81.07076	0.4
81.29478	0.3
84.08124	0.4
85.02892	0.5
86.09729	0.8
91.05507	0.8
93.07001	0.6
95.08604	0.4
99.08120	0.4
105.07008	0.4
107.08646	0.4
108.91975	0.3
109.06533	0.3
109.10152	0.5
118.79980	0.3
119.08598	0.5
120.08130	0.5
121.06454	0.4
122.03664	1.0
123.08064	0.4
133.10152	0.8
135.11659	0.7
137.05977	16.0
149.05989	0.4
151.07535	1.6
162.05534	0.9
165.05550	0.4
167.07126	0.4
177.09102	1.6
189.09081	0.3
193.15886	0.5
201.09114	0.3
208.06091	0.4
211.13046	0.4
219.10146	0.4
237.11142	0.4
292.58459	0.4
305.11838	1.4
337.14496	1.0
373.18335	100.0
374.18787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
50.59668	2.2
55.01866	2.1
55.05505	6.7
57.07060	2.6
67.05511	13.7
69.03419	8.8
69.07064	9.6
70.60424	6.0
71.05000	2.0
71.41052	2.0
77.24120	2.3
79.05492	3.7
81.07049	14.6
83.04984	8.3
83.08607	6.3
85.02893	8.3
85.06544	2.5
86.06018	1.9
91.05462	3.1
93.07059	9.7
95.08607	30.8
99.08068	2.8
104.33841	1.8
105.07040	6.9
107.08595	18.8
109.06511	7.1
109.10164	95.4
111.08069	4.2
113.09675	2.4
119.08587	39.5
121.10126	10.5
123.08079	12.4
123.11708	7.6
133.10130	18.2
135.11694	100.0
137.05989	2.6
137.09633	13.3
145.05042	2.3
149.13292	6.0
151.11156	6.2
151.14816	10.3
165.16388	3.0
175.14824	44.9
193.14563	1.7
193.15884	63.3
211.16943	69.2
353.00900	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85651	1.2
53.03952	1.2
55.01867	1.5
56.96550	2.3
57.03442	23.9
60.31692	1.2
61.02930	12.0
69.03436	28.9
69.58231	5.4
69.58659	2.9
71.01362	2.4
73.02927	49.0
73.04755	1.8
79.05471	1.5
81.03424	6.3
84.96002	1.6
85.02914	100.0
87.04458	3.2
91.03959	5.4
97.02901	42.6
97.03527	2.2
98.21493	2.2
98.97594	6.5
99.04468	5.6
109.02888	8.2
110.97548	1.6
115.03944	32.9
116.98642	2.4
119.04977	2.0
127.03931	27.4
132.06555	1.7
133.04973	8.6
137.06009	8.5
145.04979	57.0
147.04446	3.1
150.07610	3.3
158.99634	1.6
163.06032	29.5
165.05643	1.3
177.00673	2.1
189.05499	2.4
193.04961	1.5
205.01741	1.2
219.01860	2.9
223.06087	3.9
223.11826	11.5
225.00941	1.2
237.02815	2.0
237.11450	1.2
241.07169	4.9
259.08148	4.3
281.03418	1.3
286.00943	1.4
295.10263	6.2
323.04031	1.4
372.12668	2.3
385.30807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.163
Annotation	Tetrahydrocurcumin
Peak:m/z	Relative Intensity
56.96563	4.3
57.03432	3.6
67.05510	2.8
69.03433	2.3
70.71626	5.2
71.04984	8.9
72.05371	1.6
81.07043	2.2
85.02899	12.6
91.05473	5.4
93.07024	2.5
94.04199	2.6
95.04969	3.9
95.08634	3.0
97.02855	5.6
97.06494	3.3
98.97587	2.4
103.90715	1.9
105.06998	3.6
107.04955	3.3
107.08585	2.4
109.06533	2.4
109.10156	5.1
119.08550	4.1
121.06570	2.4
122.03646	6.2
123.08050	2.1
129.05435	2.1
133.10214	2.4
135.11732	6.3
137.05983	100.0
146.07253	2.1
149.05948	4.5
151.07574	10.6
167.07050	2.8
175.14845	3.4
177.05482	2.7
177.09125	9.1
191.10687	2.6
193.15834	4.6
211.16983	10.2
237.11259	2.9
247.61613	1.9
273.78000	1.6
300.05606	4.6
300.56027	2.7
305.11740	6.9
309.56192	1.9
337.14407	2.7
355.15329	3.2
373.08575	7.0
373.16165	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1439
Annotation	Carpoxidine
Peak:m/z	Relative Intensity
53.03946	3.4
55.01875	4.7
65.03941	1.3
67.05183	0.7
67.05505	9.9
69.03412	0.7
69.07039	0.8
71.06792	1.3
71.07146	0.6
77.03918	1.1
79.05496	21.3
81.03423	3.7
81.07034	0.7
91.05485	4.5
93.07041	2.5
95.04971	26.0
97.06538	1.1
103.05471	52.5
105.04500	1.7
105.07019	3.8
106.07341	0.7
107.04958	24.2
107.08591	1.3
108.09022	0.6
118.06532	1.5
119.04968	1.0
120.08084	2.1
121.06490	2.0
121.10177	0.6
123.03578	1.1
123.04431	15.2
129.03325	0.6
130.06532	1.5
131.04936	19.4
132.08073	0.6
133.05220	1.3
134.06012	1.7
135.11748	0.5
137.05975	4.2
145.06506	0.7
146.05991	4.4
147.04390	0.9
149.05986	0.9
161.05949	0.9
162.05461	0.6
164.07079	5.2
167.07022	1.8
174.05518	3.7
175.03967	0.8
175.07550	0.7
178.08630	2.1
189.05499	6.5
192.06607	4.2
206.08147	2.1
207.06465	0.8
207.10725	0.6
218.08383	0.6
224.09192	16.3
225.07552	0.9
229.81258	0.6
248.10741	1.4
276.10147	1.4
294.11258	1.5
322.10757	3.7
326.13889	2.0
340.11755	4.2
342.13843	0.7
344.14905	1.0
354.13394	5.6
372.14435	100.0
373.14758	1.4
380.57410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1439
Annotation	Carpoxidine
Peak:m/z	Relative Intensity
53.03935	1.9
55.01873	0.6
62.87381	0.5
65.61534	0.5
66.53180	0.5
67.05498	1.1
71.55618	0.5
77.03915	0.6
79.05497	25.1
81.03421	5.2
81.07049	0.5
81.32721	0.5
85.02883	0.6
86.09705	0.8
87.82162	0.7
91.05476	3.4
93.07035	3.0
95.04993	4.1
97.06523	1.4
103.05472	62.5
105.04573	0.8
105.07041	4.6
107.04958	27.4
117.07030	0.7
118.06549	1.5
119.04922	0.9
120.08092	2.0
121.06490	2.2
123.04427	1.7
130.06523	1.7
131.04935	24.0
132.04427	0.6
133.05252	0.8
134.06023	2.0
137.05986	3.6
146.06013	5.4
147.04358	1.2
147.06790	1.1
149.06023	1.4
161.05977	1.2
162.05499	0.9
164.07086	6.5
167.07120	1.2
168.07350	0.9
174.05490	3.6
175.03964	0.8
178.08623	2.3
184.07440	0.5
189.05510	3.2
192.06554	4.0
194.08118	0.9
206.08160	4.3
215.37033	0.5
220.11162	0.6
224.09189	19.8
248.10674	0.8
269.13580	1.4
276.10257	0.8
282.11508	0.7
294.11380	2.3
322.10837	2.4
326.13959	1.9
340.11813	4.4
354.13382	5.3
372.14447	100.0
373.14563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
53.91544	3.2
54.44036	3.3
55.05521	29.9
57.03429	14.4
57.07062	10.3
66.42706	3.3
67.05508	78.2
69.07076	28.3
69.84620	6.4
69.85024	17.2
71.05001	4.5
71.08242	4.7
71.08638	83.3
79.05499	35.9
81.06596	6.2
81.07063	100.0
83.04976	9.9
83.08599	22.5
88.07644	3.8
91.05473	24.6
93.07049	48.0
95.08615	68.9
97.06543	12.5
97.10168	16.7
98.20856	6.4
98.75657	3.4
99.08104	75.0
105.07043	28.2
107.08572	20.5
109.10161	31.2
111.04455	3.8
113.09646	6.5
119.08588	17.1
121.10140	20.2
123.08073	3.7
123.11755	11.2
125.09626	12.4
127.11185	7.8
131.08571	15.3
133.10149	10.7
135.11682	20.1
135.93307	4.1
137.13248	15.2
145.10124	8.5
147.06537	4.4
147.11691	45.5
147.43895	3.7
149.13237	8.5
151.14789	5.7
153.12700	12.3
159.11723	4.8
161.13229	8.6
163.11168	9.7
163.14853	17.0
165.12755	14.0
173.11784	11.0
173.13284	12.2
179.14328	4.4
181.15872	10.5
189.11177	7.8
219.10440	3.7
227.12814	4.0
229.14371	11.3
233.22615	5.1
243.21094	18.6
255.19539	4.6
261.22165	31.0
279.23184	79.2
353.26910	94.6
371.28314	17.3
371.33273	3.4
372.34738	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	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	7.0
55.05513	50.2
57.03422	8.9
57.07076	9.8
59.04989	2.5
62.65492	1.8
65.03920	2.4
67.05504	100.0
69.03411	4.8
69.07067	56.4
69.65758	12.3
71.04976	6.4
71.08627	4.9
79.05489	49.6
79.70314	1.7
81.07053	90.6
81.50073	1.7
83.04967	7.1
83.08618	33.1
85.02880	2.7
85.06535	5.7
87.04447	2.3
91.05461	12.9
93.07037	45.4
95.04933	3.1
95.08607	71.0
97.06539	15.5
97.10167	27.1
98.21507	2.5
99.08055	3.7
101.05972	2.6
105.07018	11.6
107.04962	3.4
107.08591	37.2
109.10153	61.7
111.08056	6.7
111.11723	2.3
111.65770	2.0
113.09569	3.1
116.85990	1.9
117.06983	5.8
119.08574	10.6
121.10149	19.4
123.08072	2.7
123.11724	15.2
125.09616	20.2
129.05415	2.2
131.08578	10.8
133.10143	9.9
135.08046	4.7
135.11676	31.9
137.09605	6.1
137.13257	11.0
141.09204	2.5
143.08426	2.1
145.10123	8.6
147.11627	9.2
149.09656	2.4
149.13226	10.2
151.14835	5.1
153.09074	3.4
153.12781	14.2
155.10622	2.4
159.11642	4.1
161.13251	6.1
163.14775	7.2
165.12758	3.5
173.11702	9.9
173.13258	7.3
175.14781	3.2
177.12758	4.7
187.14838	6.0
189.11214	13.0
195.13710	3.2
209.15317	3.9
223.16989	3.3
227.12791	9.1
229.14331	2.0
233.22545	2.5
243.21048	10.3
245.13844	4.5
261.22137	29.0
279.23187	76.2
280.23364	2.7
283.94409	2.2
307.52997	2.2
335.29465	2.2
353.26883	74.2
371.23868	3.7
371.27841	9.6
371.36728	2.0
375.14795	2.2
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
53.03931	2.6
55.01875	8.7
55.05511	42.8
57.03439	10.1
57.07069	8.1
59.04989	2.1
67.05502	90.6
69.03411	5.3
69.07068	49.7
69.65997	9.9
71.04976	5.5
71.08292	2.2
71.08632	28.8
77.03901	1.6
79.05492	46.6
81.07056	96.8
83.04968	7.1
83.08625	27.3
85.06527	7.1
85.10173	1.7
91.05483	15.8
93.06488	2.4
93.07044	40.9
93.73997	1.4
95.04978	3.6
95.08606	79.7
97.06528	13.9
97.10172	29.0
99.08100	21.7
101.03831	1.7
105.07045	14.3
107.08600	37.4
109.06519	2.6
109.10152	52.7
111.08051	5.8
111.11692	4.1
113.09619	3.0
117.07011	6.4
119.08598	11.1
121.10147	17.5
122.44516	1.6
123.08038	2.7
123.11711	16.8
125.09638	22.3
127.11185	1.8
131.08534	9.2
133.10168	8.4
135.08058	4.5
135.11697	27.1
137.09573	1.6
137.13252	12.9
139.11203	3.0
145.10101	7.2
147.11684	19.6
149.09543	2.8
149.13223	8.9
151.11192	3.3
151.14780	4.3
153.12721	11.8
159.11690	3.3
161.13266	6.5
163.11174	3.8
163.14810	11.5
165.12753	9.1
167.14217	2.1
171.10194	3.1
173.11720	7.6
173.13228	9.7
175.14870	2.9
177.12852	2.5
177.16368	4.7
179.14293	2.8
181.15900	3.2
187.14792	4.6
189.11172	12.7
191.14293	3.6
195.13762	2.1
205.15950	1.6
209.15338	2.7
219.14484	1.5
223.16794	1.8
227.12773	9.2
233.22583	4.9
243.21098	14.9
245.13734	4.8
255.19591	2.3
261.19434	2.5
261.22144	33.4
279.23184	95.7
297.24173	2.8
330.04260	1.7
353.26852	100.0
354.27298	2.4
371.28119	14.1
372.18057	8.7
389.42664	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
54.53401	0.6
55.01852	0.7
61.02923	1.1
64.26021	0.7
67.05509	2.0
69.03426	2.9
69.15507	0.7
70.66711	2.3
70.67095	0.7
71.04985	3.2
76.97487	0.7
81.03423	2.3
81.07061	1.9
83.05006	0.8
85.02908	9.0
85.06551	1.4
91.05377	0.7
93.07039	1.7
95.04971	100.0
95.08580	1.1
97.02908	3.6
99.04459	22.7
99.06280	0.8
107.08618	1.4
109.02930	1.3
109.06513	1.0
109.10136	2.2
111.08086	2.1
119.08660	0.8
127.03896	1.5
131.08574	1.3
133.10152	3.9
135.08084	1.3
137.09669	0.9
145.04959	1.7
149.09656	1.3
151.11252	1.2
153.09113	35.7
153.10367	1.8
173.13306	3.0
186.63159	0.8
191.14337	4.6
193.15851	1.6
209.15378	35.6
229.83644	0.8
245.92949	0.7
280.79294	0.8
371.20523	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
54.29377	1.8
57.31504	2.0
61.02924	2.6
67.05486	1.7
67.63776	1.7
69.03426	11.9
69.07063	4.1
69.34937	14.4
69.35244	2.3
71.04984	2.3
78.37993	2.1
79.05482	2.9
80.70027	1.8
81.03409	5.0
81.07037	5.8
83.04971	2.9
85.02907	24.8
91.05486	4.4
93.07048	3.7
95.04977	3.8
95.08587	4.6
97.02880	5.4
97.06471	2.0
105.07012	5.1
107.08612	16.9
109.06493	7.5
109.10131	6.1
110.86953	1.9
115.05434	2.2
117.07019	3.2
118.86862	1.8
119.08549	4.6
121.10172	11.5
122.07253	2.7
123.08073	3.8
123.11690	2.4
127.03881	2.2
133.10136	88.7
135.08038	8.7
137.09630	53.1
144.79118	2.3
145.04933	5.1
147.11647	2.7
149.09634	8.1
149.13269	14.9
151.11183	16.0
163.14764	2.1
165.12758	31.3
173.13239	6.9
191.14325	44.8
209.15379	100.0
373.56821	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49674	0.3
53.03936	0.4
55.01867	0.6
55.05509	3.3
56.32616	0.3
57.03430	0.5
57.07057	0.4
59.04990	0.3
61.02922	0.9
65.03934	0.3
67.05510	0.6
69.03429	2.6
69.07058	0.6
70.06596	0.6
71.04994	0.5
71.55659	0.4
71.56033	0.4
73.02911	0.4
79.05484	1.6
81.03403	1.5
81.07064	1.6
82.06544	0.3
83.04961	1.4
83.08615	1.4
84.08151	0.7
85.02905	6.3
85.06533	0.5
86.09694	0.4
87.04467	0.4
91.05487	1.5
93.07047	2.8
95.04950	0.9
95.08620	1.0
97.02883	2.2
97.06513	0.5
98.97607	0.6
99.04436	0.5
100.07605	0.5
100.11251	6.8
101.05999	0.5
103.92024	0.3
105.07026	2.4
107.04967	0.8
107.08617	1.9
109.02870	0.8
109.06528	0.9
109.10175	0.5
111.04416	1.2
115.09358	0.3
117.07009	0.5
117.13853	0.4
119.08585	0.8
121.06501	0.6
121.10152	3.4
121.76966	0.3
123.11715	0.4
127.03905	1.0
128.07042	0.3
129.05476	0.5
129.06981	0.6
131.08575	1.2
133.10124	3.0
135.08063	1.5
135.11668	0.4
136.07542	0.3
137.06000	2.0
137.09625	2.4
145.04926	1.2
145.10153	0.4
147.04419	0.6
147.11708	0.7
149.09619	100.0
150.09973	1.0
151.11136	0.5
155.07019	1.0
156.05678	0.4
157.85561	0.4
159.08063	0.7
161.05983	0.4
162.05426	0.4
163.03967	0.9
163.11243	0.4
165.12715	1.2
167.07030	1.8
173.13274	1.1
182.14064	0.3
182.15366	1.7
187.07553	0.4
191.10785	0.4
191.14302	10.3
199.18236	0.3
209.15341	22.4
210.14970	1.4
213.17705	0.6
215.24774	0.3
217.08586	1.1
217.64569	0.3
227.17494	0.7
236.61386	0.4
237.10196	1.2
238.39757	0.4
251.08203	0.3
261.09256	0.5
263.07016	0.4
265.09732	1.6
276.72766	2.6
277.22928	0.5
281.11905	0.4
285.07526	0.9
293.09012	0.8
293.11887	0.5
298.74142	0.7
300.09879	0.8
309.11230	0.6
311.10205	1.1
321.11349	0.6
340.26157	0.5
341.13797	0.4
343.30832	0.9
353.13742	0.9
362.27271	3.1
362.77335	0.9
371.11789	3.2
371.16211	1.2
371.20804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03951	1.6
55.01871	2.5
55.05513	3.3
55.11400	1.3
56.96561	4.4
57.03431	2.3
58.07732	1.5
60.52961	1.7
61.02914	1.9
65.03949	1.5
67.05501	3.9
69.03438	6.2
69.07072	13.3
71.05001	3.4
71.45036	2.7
74.57360	1.4
79.05505	6.2
81.03418	4.4
81.07057	5.2
83.04970	4.2
83.08624	1.7
85.02908	16.5
89.03927	3.3
89.05548	1.5
91.05478	23.8
93.07052	13.2
95.04969	6.2
95.08609	5.3
97.02901	6.5
98.97603	3.7
105.07046	6.7
107.04968	6.3
107.08591	14.6
109.02898	2.2
109.06512	3.1
109.10176	3.7
111.04433	1.9
115.05500	1.5
117.03389	4.1
117.07040	1.8
119.08591	6.8
121.06523	14.5
121.10129	10.4
122.26131	1.5
123.08095	2.5
126.29261	1.5
127.03955	2.3
128.06221	1.6
129.07059	2.8
129.64168	1.5
131.08562	6.3
133.10136	10.4
135.04425	7.0
135.08089	9.1
135.11684	2.6
137.05957	4.1
137.09616	2.7
145.02831	3.6
145.04953	1.8
145.10106	2.6
147.07976	1.7
147.11688	30.3
149.09625	6.6
149.13289	8.6
150.68344	1.7
151.11198	4.8
158.11008	1.5
158.99742	1.9
161.05931	2.4
161.09645	4.6
163.03914	31.6
163.11150	2.3
163.14838	2.6
164.04279	2.9
165.12755	5.0
167.07051	18.5
167.10728	2.3
173.13293	7.9
175.07558	4.3
176.11981	1.8
177.05545	2.6
181.04959	2.6
187.07578	5.4
189.09181	2.6
191.14317	100.0
209.15385	22.8
217.08589	3.4
218.99713	3.0
233.09631	2.0
234.06752	1.7
237.00754	9.3
249.09193	2.9
255.01761	3.2
261.09213	2.6
262.28491	1.5
267.10016	1.5
268.19330	1.7
271.22202	1.8
277.08447	4.4
279.26581	1.5
311.09152	1.7
321.11020	2.8
339.12149	2.2
341.13916	5.5
343.40240	2.1
346.60593	1.4
353.10007	2.5
353.13998	3.8
367.91257	1.5
371.15088	8.7
371.21423	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.8
57.07079	2.3
61.02914	2.3
62.35371	1.8
64.51051	2.0
67.05511	2.6
69.03416	12.2
69.07055	8.8
69.35506	13.9
71.04983	4.8
79.05473	6.0
81.03423	3.3
81.07049	9.3
83.04977	11.2
83.08630	2.5
85.02905	17.8
91.05486	10.2
93.07028	6.6
95.04978	3.5
95.08601	19.5
97.02891	6.8
97.06503	3.3
98.21482	4.1
99.08099	4.8
105.07030	8.7
107.04937	4.5
107.08604	24.1
108.19583	2.0
109.06540	5.9
109.10167	14.0
119.08574	5.6
121.06522	2.6
121.10154	26.8
123.04466	3.3
123.08088	5.4
123.11761	3.9
125.09649	13.1
129.07007	3.4
131.08557	2.4
133.10117	10.7
135.08006	10.2
135.11659	4.2
137.09599	7.8
139.11159	6.3
143.01906	3.3
145.04936	3.2
145.10161	2.4
147.04422	8.1
147.11739	11.3
149.09630	10.0
149.13272	18.3
151.11186	72.0
153.09146	2.4
158.10905	3.1
160.64532	2.3
161.05984	2.1
163.03900	3.7
163.14822	13.6
165.12761	17.5
167.07060	20.6
173.13255	11.9
175.07597	6.0
187.07576	3.9
191.14316	72.7
209.15367	100.0
219.08295	2.2
274.72830	2.4
309.11108	3.0
371.15048	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01854	0.6
55.05507	1.7
57.03436	1.4
61.02921	1.6
65.03929	0.7
67.05506	1.5
69.03431	7.1
69.07074	1.6
69.91591	0.6
70.06574	0.7
70.94240	0.9
70.94582	0.8
71.04996	1.5
72.08128	0.7
73.02936	0.8
79.02862	0.6
79.05480	2.7
81.03433	3.5
81.07034	3.5
83.04990	2.8
83.08624	1.7
85.02904	14.8
85.06544	1.1
91.05455	2.9
92.82317	0.6
93.07047	4.5
95.04971	7.4
95.08594	3.8
97.02895	4.2
97.06556	0.8
99.04430	1.6
99.08055	1.0
103.05454	1.6
105.07027	2.9
107.08591	7.2
109.02888	1.0
109.06533	3.4
109.10133	2.2
119.04888	0.8
119.08602	2.9
121.06539	1.1
121.10141	8.1
122.07325	0.8
123.08079	2.1
123.11690	1.3
127.03916	2.7
129.05511	0.8
131.08574	1.8
131.51646	0.6
133.10170	2.9
135.08046	2.7
135.11658	1.3
137.05969	1.8
137.09621	4.8
138.13606	0.7
139.27348	0.6
139.28479	0.7
145.04959	2.2
145.10136	1.0
147.11690	1.3
149.09622	100.0
149.13210	4.8
150.05527	0.6
150.09982	1.1
151.11191	8.2
153.09120	2.4
159.04414	1.3
163.14771	1.1
165.12759	13.6
167.07111	0.7
167.14252	1.2
173.13278	2.8
191.07079	1.6
191.08818	0.7
191.10477	2.9
191.14308	19.8
203.05328	1.0
209.15373	63.3
217.08548	1.1
218.07297	0.7
218.26846	0.6
309.11404	0.7
371.10083	0.9
371.16620	8.8
371.21179	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	371.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89715	2.9
55.01875	4.5
55.05495	3.7
56.96585	2.9
57.03444	20.5
59.04999	5.1
61.02924	12.8
62.64889	2.8
69.03433	34.1
70.04949	11.0
70.06601	5.8
73.02917	37.6
73.04756	4.0
81.03406	7.3
81.04534	3.8
83.04929	2.8
84.08160	4.5
84.46416	2.8
85.02911	100.0
87.04462	7.4
91.03942	6.0
91.05482	11.1
97.02901	44.5
97.07673	2.9
98.97574	8.4
99.04470	4.8
101.00889	9.8
109.02896	14.3
115.03938	20.5
119.01921	15.1
119.04930	13.0
122.06032	5.5
122.07144	6.9
123.07941	3.9
127.03934	23.8
128.66904	2.7
129.03368	4.5
133.04985	7.3
135.04495	3.4
136.06197	11.1
143.01907	10.4
145.04965	54.8
145.20540	3.1
147.04407	17.7
150.05516	95.3
155.07068	5.4
157.03488	15.8
161.02974	5.3
163.03915	23.7
163.06001	26.8
175.03918	6.8
189.05463	20.0
193.05003	5.0
193.51463	3.2
194.41342	2.8
205.05580	9.4
207.06528	5.0
209.09138	22.9
223.06693	26.6
224.06813	3.0
239.11232	7.9
239.13832	3.2
241.07515	4.5
253.31097	2.8
265.07785	12.0
268.97858	3.4
281.07538	3.3
285.00687	3.4
293.07208	6.6
294.94254	2.9
305.07419	3.9
311.08249	5.9
323.08191	4.0
337.09787	6.8
353.09286	11.5
371.13367	19.9
387.13785	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	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
69.03424	3.9
70.22215	6.5
70.22566	7.2
70.49155	2.7
71.04996	4.2
79.05479	12.4
81.07082	3.8
85.02900	5.3
87.70834	2.6
88.67438	2.7
91.05468	16.0
93.07050	8.1
94.04180	3.4
95.04967	8.3
97.02898	4.0
97.06578	3.9
101.06030	3.0
103.05467	5.2
103.96386	3.2
105.07032	11.3
107.04951	28.1
107.08576	6.6
109.06497	5.2
111.04436	4.3
115.05460	5.1
118.04132	2.9
119.04988	4.0
119.08592	5.3
121.06506	5.8
121.10123	3.9
122.03673	6.4
123.04431	3.8
124.05235	7.1
125.05959	2.7
128.06229	6.5
129.06999	12.9
131.04889	5.1
131.08559	13.7
133.06534	7.4
133.10107	3.5
137.05978	100.0
141.07028	5.1
143.04926	2.9
144.05695	8.0
145.10051	3.4
149.06021	5.3
151.03873	6.4
151.07520	4.5
152.04617	2.8
154.68063	3.1
156.05722	21.6
157.06511	7.8
158.07286	4.4
159.08081	21.5
161.05954	13.7
165.05452	3.6
167.07050	90.6
169.06430	5.0
172.05196	6.0
174.06754	6.7
175.07568	22.7
177.05447	9.8
179.07124	3.7
181.05006	5.0
186.06802	5.3
187.07555	37.2
189.05466	3.5
189.07275	2.8
189.09109	13.1
190.07852	4.6
191.07034	7.3
191.10706	4.6
191.14279	4.9
193.08621	12.1
193.10158	3.6
199.07524	4.6
201.09129	5.9
202.06256	8.6
203.08638	8.5
205.06557	2.9
205.08560	7.4
206.07259	8.5
207.08119	4.1
209.08064	3.7
209.11697	3.6
209.15361	10.3
211.07597	5.2
215.06995	7.8
217.08597	75.4
218.07225	14.6
219.08025	7.7
221.09579	14.6
231.08090	10.5
233.05940	4.7
233.09610	14.5
234.06767	12.1
235.07506	8.2
237.05479	3.8
237.09013	3.0
239.06993	23.8
241.08704	10.0
242.05763	5.6
246.06760	8.0
247.07437	7.4
247.09692	32.6
248.08414	5.1
249.09132	26.0
250.06146	3.2
251.07120	8.5
252.07779	10.4
259.07486	3.5
261.09155	24.8
262.06332	3.3
262.09924	5.0
263.06973	11.4
265.08530	5.8
266.09329	9.3
269.08069	7.0
271.06030	6.2
277.08578	26.2
278.09332	14.9
279.06442	7.3
281.08655	3.5
281.11758	14.5
283.09830	3.4
285.07571	63.6
289.08566	11.3
291.06638	3.7
291.10007	7.2
292.10989	4.0
293.08563	5.7
293.11813	17.1
294.08914	5.3
295.09848	6.2
298.08359	3.7
300.09940	69.7
301.10620	17.3
306.08829	7.1
307.09686	7.1
309.11157	27.2
311.09241	5.6
313.10684	10.6
313.14209	3.2
321.11191	34.7
322.12036	5.0
323.09161	7.3
326.11462	18.8
338.11514	7.1
339.12268	9.2
341.13849	24.3
353.09753	6.1
353.13809	65.1
371.11105	4.1
371.14908	39.9
371.19135	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.05514	1.6
57.07078	23.9
67.05479	1.7
69.07059	1.2
69.82902	6.2
71.08635	48.1
81.07054	2.1
85.10184	26.0
89.06038	25.8
91.05486	8.2
93.07056	14.3
95.04958	5.0
95.08580	1.6
103.05457	3.1
105.04526	1.9
109.10165	1.5
109.38482	1.1
119.04902	1.4
119.08595	2.3
121.06507	58.2
127.14838	3.0
133.08617	10.4
139.07529	5.1
147.08017	2.8
165.09123	29.1
183.10217	1.8
209.11736	3.5
227.12791	100.0
229.07419	1.9
229.65118	1.1
265.39572	1.2
309.45612	1.2
334.71310	1.1
370.40396	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	370.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05507	0.7
57.03441	1.1
65.03944	1.2
67.05503	2.1
68.99807	0.8
69.03419	2.1
70.12621	2.0
70.13007	1.1
71.04998	20.7
79.05501	0.7
81.03394	0.8
83.04985	4.7
85.02914	6.3
91.05496	1.2
93.03400	2.5
95.04978	3.3
97.02898	1.2
98.20721	0.6
103.24145	0.6
105.03401	2.2
107.04979	5.9
109.02859	0.6
109.10168	0.7
111.04443	7.3
113.06012	27.7
121.02850	0.7
123.04429	2.5
127.03888	0.9
129.05496	3.1
131.07056	18.6
133.02856	11.6
135.04446	0.7
139.03911	5.0
145.08607	100.0
147.04401	0.7
151.03915	5.4
157.04955	4.7
161.02353	6.1
163.03909	1.2
173.08107	14.3
173.09546	1.1
175.06021	3.4
179.03407	39.0
180.08652	1.4
191.09158	15.7
195.05185	0.6
203.54195	0.6
208.11833	0.8
306.09448	0.5
307.69312	0.7
308.28427	0.6
353.08527	1.7
357.69757	0.6
370.15540	1.4
371.16626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31902	0.3
67.05502	0.9
69.07066	0.4
69.42748	2.6
79.05503	0.8
81.07054	1.6
91.05479	1.2
93.07047	1.4
95.08601	1.1
105.07017	1.3
107.08613	1.2
109.10175	0.7
119.08579	1.3
121.10122	1.4
125.26315	0.3
131.08571	0.5
131.14421	0.4
133.06587	0.4
133.10143	2.0
135.11705	0.8
143.08566	0.5
145.10109	0.8
147.11719	0.5
149.05952	0.6
149.13335	0.6
159.11748	0.8
161.13321	0.5
171.11742	0.4
183.11731	0.4
185.13260	0.5
187.14729	0.4
187.95490	0.4
189.05450	1.3
190.05835	0.8
191.06049	0.7
197.85612	0.4
199.14787	0.5
209.13266	0.5
209.43567	0.4
232.96498	0.5
239.65944	0.4
250.97458	0.4
281.02927	0.4
369.29788	100.0
370.30173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
54.23717	2.3
55.01868	7.0
55.05279	3.1
55.05515	40.7
57.03440	18.2
57.07065	9.0
57.42637	2.4
67.05507	85.1
69.03415	4.9
69.07072	37.1
70.13323	11.1
71.04980	6.0
71.08636	44.1
75.69382	2.5
77.22099	2.3
78.40211	2.7
79.05495	51.8
81.03414	11.0
81.07059	100.0
83.04969	12.1
83.08624	22.0
85.06576	5.6
91.05486	39.0
93.07053	71.3
95.04980	21.8
95.08612	56.6
97.06549	14.0
97.10166	15.5
99.08098	49.5
105.07038	36.6
107.04935	2.8
107.08595	43.2
109.06522	11.3
109.10175	23.8
111.08092	7.5
113.09667	3.3
117.07016	12.8
119.08572	27.9
121.06541	3.8
121.10163	22.2
123.08044	5.1
123.11710	10.2
125.09641	11.5
126.52545	2.8
129.07021	4.1
131.08534	14.0
133.10141	28.3
135.08089	5.4
135.11688	27.7
137.09613	5.0
137.13260	3.3
139.11206	2.8
143.08504	2.9
145.10124	16.0
147.07919	3.4
147.11670	21.0
149.09677	5.1
149.13280	22.9
151.11192	38.5
157.10156	8.8
159.11711	19.8
161.09689	3.1
161.13246	19.4
163.11183	11.1
165.12727	6.4
171.11690	8.6
172.94356	6.1
173.11743	15.2
173.13104	4.5
175.11232	3.6
175.14743	5.5
177.12744	5.1
179.14323	12.2
185.13263	6.6
187.14919	3.7
189.05453	6.2
189.11195	9.3
189.12778	5.2
190.05812	5.4
191.05992	5.6
195.13814	10.1
199.14867	4.6
201.16360	4.2
207.13948	4.5
210.27515	2.7
221.15419	5.1
227.12785	7.1
231.21101	4.2
232.96465	5.1
241.19652	6.3
243.15622	2.7
245.13739	6.4
250.97527	4.8
253.17883	9.8
259.20712	13.0
269.17465	41.3
277.21649	62.4
351.25394	48.5
369.26999	21.1
371.85306	3.1
381.54074	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
55.01867	5.7
55.05272	1.8
55.05515	32.0
57.03443	10.7
57.07059	3.8
59.04985	3.0
65.03928	3.6
67.05508	100.0
67.31859	1.1
69.03420	3.8
69.06725	1.9
69.07072	20.4
70.92782	1.3
71.04967	3.4
71.08632	1.9
71.55737	1.2
79.05495	51.8
81.03396	1.7
81.07061	66.3
81.15376	1.1
83.04965	6.6
83.08623	17.3
85.06533	5.1
91.05492	26.3
93.07047	51.7
95.04969	4.4
95.08614	45.5
97.06538	6.7
97.10175	27.5
98.97565	2.3
99.08095	2.1
105.07045	27.4
107.04922	1.7
107.08599	59.0
109.06509	4.6
109.10162	70.0
111.08067	3.6
111.11671	1.5
113.09672	1.4
117.07042	9.0
118.20439	1.2
119.08591	22.2
121.06514	2.3
121.10156	32.8
123.08062	2.4
123.11710	11.5
125.09634	22.9
129.07018	4.8
131.08588	10.4
133.10150	21.7
135.08060	3.6
135.11696	27.4
137.09607	3.1
137.13271	1.4
139.11206	1.9
143.08571	6.0
145.10130	12.8
147.11676	17.8
149.09621	2.6
149.13248	15.8
151.07559	1.9
151.11165	5.4
153.09097	1.7
157.10123	5.1
159.11705	11.3
161.09578	1.9
161.13251	9.0
163.11194	2.2
163.14801	5.1
165.12781	1.8
171.10289	1.8
171.11639	6.6
172.94313	5.1
173.11743	5.3
173.13281	7.1
175.11028	1.2
175.14780	7.7
177.12778	1.9
179.14340	3.6
181.12193	3.6
185.13252	5.0
187.14893	3.0
189.05490	1.6
189.11230	21.7
189.12766	2.5
189.16388	2.5
190.05876	1.7
190.95410	7.4
191.05962	1.4
193.15915	4.8
195.13678	2.2
199.14835	4.5
201.16367	1.8
207.13896	1.7
208.96413	1.9
209.15282	1.6
214.95570	1.5
215.41220	1.2
221.15459	2.1
227.12784	11.6
229.14374	1.8
231.21123	2.6
232.96478	9.5
241.19501	6.9
245.13898	11.9
250.97519	5.3
252.77600	1.4
259.20584	24.0
277.21649	62.9
280.94763	1.8
304.94400	1.4
322.95673	2.1
333.24200	1.9
351.25351	67.5
352.25412	1.5
369.27679	9.6
373.85132	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2424
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03928	6.0
55.05500	27.5
55.45570	6.3
57.07070	9.8
61.62626	7.9
63.86585	6.5
63.89143	8.1
67.05502	42.6
69.03432	11.1
69.07048	23.7
69.83375	7.2
71.56738	9.1
79.05476	32.7
81.07046	50.4
83.04961	8.1
83.08590	9.0
85.06519	6.9
87.04459	8.2
91.05479	47.9
93.07035	58.9
95.04955	21.8
95.08606	100.0
97.06522	15.8
105.07032	69.8
107.08591	55.4
109.06499	15.5
109.10157	52.2
109.83379	7.6
111.08067	35.3
115.08702	9.1
117.07014	21.0
119.08575	88.5
121.06462	13.2
121.10144	58.7
123.08048	12.0
123.11699	14.4
129.07011	16.9
131.08577	49.5
132.73940	8.0
133.10121	64.9
135.08066	13.7
135.11671	21.8
137.05983	78.3
142.07729	13.8
143.08540	39.2
144.09317	12.4
145.10143	61.6
147.08022	22.2
147.11661	33.6
149.09607	32.1
149.13257	8.5
155.08563	15.5
156.09331	15.1
157.10136	43.3
158.10916	14.8
159.08003	12.8
159.11748	49.3
159.12831	7.2
161.09586	11.0
161.13258	16.9
163.11124	9.3
169.10118	22.3
170.10893	11.4
171.11626	38.2
172.94345	15.0
173.13248	31.3
175.11197	9.6
175.14845	38.9
183.11705	30.1
184.12408	8.5
185.13263	18.1
187.14818	44.8
190.95433	20.4
193.10144	11.7
195.11626	18.3
196.12631	7.3
197.13274	17.4
199.14807	16.5
201.12660	9.4
205.15961	8.7
209.13222	15.4
211.11116	9.7
213.12904	8.5
213.16339	9.0
223.14677	11.5
225.12759	8.7
225.16322	11.0
227.14490	8.5
229.12218	10.8
232.96397	23.2
237.16336	12.2
255.00906	7.2
257.15286	11.3
270.02536	7.2
277.15662	7.7
322.80536	7.3
351.23080	26.7
369.24103	57.5
369.27924	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
55.01864	3.8
55.05518	25.1
56.96561	5.5
57.03442	43.9
57.07064	3.0
59.05014	2.7
61.02908	2.8
61.08976	1.9
63.88274	2.3
65.03945	3.4
67.05508	76.0
69.07074	22.0
69.94490	10.6
71.04996	7.6
75.04496	2.4
75.51980	2.0
79.05499	61.3
81.03410	2.4
81.07062	100.0
83.04974	4.4
83.08614	14.2
84.18147	2.3
85.02921	2.7
85.06548	5.4
86.10410	2.6
91.03936	2.5
91.05486	49.7
93.07050	78.0
93.07638	3.9
94.92883	2.2
95.04960	7.0
95.08611	72.0
97.02911	2.1
97.06547	10.6
97.10168	6.8
97.77251	2.5
98.97563	4.1
99.08076	6.3
104.62418	1.9
105.07038	45.0
107.07880	3.3
107.08599	53.0
109.06524	9.3
109.10159	34.7
111.08084	7.1
115.05390	2.3
117.06993	17.1
119.08599	39.1
121.10147	60.6
123.08067	9.9
123.11715	9.3
125.09645	5.4
129.07028	4.8
130.93298	3.9
131.05991	2.0
131.07043	8.9
131.08580	34.9
133.10149	36.0
134.10512	2.4
135.11707	37.6
137.00017	2.2
137.09633	8.2
139.11224	3.5
143.08571	7.0
145.10127	33.0
147.11688	25.8
148.55307	2.3
149.09666	3.8
149.13269	12.9
151.07524	2.8
151.11208	7.0
157.10074	5.4
159.11699	20.6
161.09579	2.7
161.13293	12.7
163.11139	4.0
163.14798	4.2
165.12781	6.7
171.11684	9.1
172.94377	11.0
173.11844	3.9
173.13260	12.2
175.14832	7.5
177.12799	4.4
177.16315	2.3
179.14290	2.7
181.12244	2.7
185.13277	8.9
187.14838	28.4
189.12735	2.6
190.95412	11.1
193.04922	3.4
193.15884	3.4
195.13855	4.2
199.14752	2.9
201.16383	6.4
203.14410	2.5
203.17955	5.4
205.15927	14.9
207.13803	3.5
208.96423	4.6
214.95386	4.4
221.15474	3.0
221.19029	7.1
229.07521	6.8
229.14279	5.3
232.96510	15.7
241.19548	15.2
247.08505	7.1
250.97534	9.5
259.20609	31.1
269.17566	3.3
277.18835	4.6
277.21649	57.9
283.11823	2.9
293.21066	2.3
295.22641	3.8
322.96027	4.9
333.24237	4.3
347.15240	8.2
351.25360	79.1
365.16528	3.9
369.26257	13.7
371.72217	2.4
391.18970	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01853	3.2
55.05499	3.7
56.96573	1.5
57.03431	6.6
59.04986	4.9
61.02924	1.9
67.05508	11.5
67.92232	1.5
69.03425	14.6
69.07060	3.9
71.04980	5.8
71.42698	3.1
79.05492	6.3
80.10755	1.7
81.03428	8.8
81.07057	11.7
82.06616	1.5
83.04970	5.7
85.02910	21.4
85.06548	2.3
91.05494	11.7
93.07050	7.2
95.04961	7.2
95.08596	12.3
97.02887	7.5
99.04509	1.6
100.02790	1.6
105.03401	13.8
105.07040	20.9
107.04939	3.2
107.08607	15.1
109.02900	3.8
109.06544	18.3
109.10177	14.0
111.08014	2.1
119.04925	6.8
119.08584	18.9
121.06507	2.9
121.10148	7.7
122.07294	3.1
123.04411	2.6
123.08075	9.7
127.03924	7.0
128.06194	1.6
129.06967	1.8
130.06535	1.8
131.08513	2.8
133.06519	3.9
133.10138	5.8
135.08041	4.1
135.11707	5.2
137.06049	1.9
137.09625	100.0
145.04964	3.1
145.10112	4.8
147.04416	8.3
147.08047	5.4
147.11682	10.2
149.05919	3.5
149.09673	8.9
151.07515	6.0
156.09315	4.6
159.08099	1.8
159.11688	3.9
161.09570	5.4
161.13277	8.5
162.05498	1.8
163.11185	9.9
171.11694	4.5
174.10419	5.1
175.03911	9.0
177.00746	2.1
177.05490	5.3
177.12762	4.0
179.07005	5.2
179.14299	5.5
189.05441	2.4
189.12778	20.8
191.14288	6.5
201.09225	1.9
207.06425	13.6
207.13806	65.7
207.15775	3.6
208.05222	3.1
247.07506	3.6
269.08212	2.0
272.75125	1.7
275.07025	1.8
280.07202	1.8
285.07452	2.1
289.08368	1.6
290.09473	1.8
307.09479	2.5
315.08594	10.6
318.09161	1.9
338.11465	3.4
339.12299	2.7
351.12109	6.0
351.18649	1.8
369.15363	18.4
369.59808	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05496	1.1
53.03938	3.5
55.01858	1.4
55.05494	3.6
57.03428	1.2
61.02918	1.6
65.03904	1.1
67.00954	1.0
67.59393	1.1
69.03099	1.5
69.03432	15.3
69.07053	2.6
70.42474	1.4
70.42820	4.3
75.34461	1.3
79.05500	7.7
81.03414	3.2
81.07024	2.5
83.04993	6.6
83.08610	2.0
85.02904	16.8
91.05470	4.8
93.06986	3.1
95.08582	1.4
97.02872	5.0
103.05456	3.4
105.07036	8.5
107.04961	1.5
107.08599	6.7
109.02831	2.1
109.06509	3.2
114.11192	1.2
117.07048	2.2
119.04961	1.1
119.08562	6.8
121.06490	11.2
121.10144	3.6
123.08046	4.6
127.03937	2.8
131.08560	4.1
133.06494	100.0
133.10106	3.8
135.08046	8.2
143.08566	2.1
145.04958	3.7
147.08014	3.1
147.11653	3.4
149.09650	2.5
151.07545	3.0
158.10876	2.7
159.07899	1.4
161.09563	3.4
161.13260	2.2
163.11197	18.0
173.13258	5.0
174.10408	3.7
176.11920	1.2
189.05518	1.8
189.12749	39.5
191.14311	48.9
205.04939	1.6
207.06514	3.5
207.13805	48.6
243.13721	1.6
348.27600	1.1
350.71335	1.1
369.15369	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03952	2.0
57.03436	4.0
65.03912	2.4
69.03438	14.7
71.01368	2.2
71.04998	1.8
71.55405	2.4
79.05500	4.9
81.03410	7.6
82.56171	1.9
85.02893	14.4
91.05482	47.3
97.02894	5.0
99.04443	2.8
103.05430	4.1
105.03458	2.9
107.04972	2.5
109.02897	3.3
115.05482	3.3
118.58913	1.8
119.04948	58.1
123.04379	2.0
127.03918	7.9
129.03365	13.9
131.04929	3.8
133.06490	5.7
143.04935	2.0
145.02892	1.9
147.04417	100.0
149.06001	2.0
159.04414	4.2
161.05989	10.4
165.05443	3.8
173.05962	2.7
175.03918	90.6
177.05440	2.3
179.07053	8.0
185.05997	2.7
187.03979	2.1
189.05469	95.1
193.04932	6.9
201.05449	2.2
205.30699	2.0
207.06555	24.9
217.04964	2.0
228.10420	2.1
243.06525	2.2
291.08603	2.2
319.08066	9.8
337.09174	8.6
369.11801	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	369.1183
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03949	9.6
55.01886	7.1
55.05514	8.4
56.96545	4.0
57.03431	12.5
58.02241	3.1
59.04992	4.3
59.42969	3.5
61.02927	5.2
61.13138	3.7
65.03940	5.4
67.05497	10.4
67.73335	3.1
69.03429	52.7
69.07059	7.9
70.06596	9.0
71.01355	5.9
71.04998	11.2
73.02924	13.0
79.05492	20.2
80.56936	3.7
81.03423	30.0
81.07056	10.9
83.04982	15.2
84.04533	9.2
84.08149	11.8
85.02914	55.5
86.09718	5.1
87.04470	7.8
89.03936	4.5
91.05480	61.2
93.03426	4.4
93.07053	7.6
95.01314	10.1
95.04955	10.7
95.08614	9.4
97.02886	34.9
97.06536	7.7
98.97604	7.3
99.04469	13.4
101.06009	4.5
103.05478	7.1
105.03355	3.9
105.07039	9.7
106.09268	3.1
107.04951	12.4
107.08618	6.1
109.02904	18.0
109.06512	4.8
109.10190	4.4
111.04445	15.4
111.08086	7.2
112.03989	7.4
113.02399	3.8
113.09706	4.0
115.03944	7.7
116.07154	3.5
116.45072	4.3
117.03423	10.0
118.41715	4.5
119.04951	59.4
119.08598	10.0
120.08083	6.7
121.02913	9.7
121.06499	7.2
123.04423	13.0
125.02335	16.4
127.03911	26.1
129.03369	3.8
129.05498	7.1
131.04927	14.6
133.05028	4.3
133.06505	9.0
135.04425	5.8
136.07562	5.1
137.05994	7.8
137.09712	4.2
139.02927	6.7
139.03909	54.8
139.21614	3.6
143.08528	4.2
145.02859	32.4
145.04962	15.8
147.04405	100.0
147.07901	3.9
149.02335	8.8
149.05971	8.5
151.03886	4.2
151.07526	8.4
153.05606	4.8
153.12755	4.0
158.99733	4.7
159.04420	66.8
161.05984	10.6
162.09187	10.1
163.03893	11.3
165.05493	20.8
165.09152	5.2
167.03441	4.7
167.06862	3.8
171.13786	5.4
175.02541	6.2
175.03923	65.1
175.06039	10.1
177.04082	6.1
177.05489	58.4
179.07021	14.0
180.10278	6.6
181.05013	13.6
189.05482	53.5
189.12709	6.1
191.03314	6.5
193.04959	23.5
203.07037	5.1
205.04984	15.3
207.06491	48.5
207.13783	9.5
208.09705	37.2
225.07571	12.0
257.42368	3.7
295.12622	4.5
301.12173	4.4
319.08118	10.6
319.12900	24.5
325.09195	12.8
333.09500	5.1
337.09216	36.4
351.10791	14.6
351.57266	3.8
355.10236	8.4
359.78580	3.7
369.11606	13.1
369.15152	28.6
369.20151	32.8
369.29962	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	368.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.2
53.68361	1.3
55.01867	3.5
55.05515	19.2
56.05025	1.2
56.38538	1.2
57.03421	3.2
58.06593	4.5
60.04527	18.1
65.03935	1.5
67.05508	16.3
69.03426	3.1
69.07065	12.0
69.41324	9.7
70.06588	1.7
71.05004	6.5
72.04506	1.5
79.05503	14.4
80.05017	1.6
81.03410	2.4
81.07064	15.8
82.07364	1.8
83.04985	1.9
83.08626	9.3
84.08149	6.6
85.06542	3.0
86.09712	24.7
88.07616	3.7
91.05478	8.1
93.07047	15.0
94.06587	2.2
95.04976	5.3
95.08614	5.7
96.08130	2.3
97.06548	3.4
97.10179	16.3
100.07636	1.6
102.17259	1.1
103.05468	4.9
104.05817	2.3
105.07047	6.0
107.04953	2.1
107.08617	8.3
109.06515	4.1
109.10144	2.4
109.28481	1.2
110.06062	2.8
111.08118	1.4
112.07623	24.0
113.05990	2.6
117.07025	3.4
119.08571	5.2
121.06513	2.1
121.10162	6.6
122.09670	7.1
123.08086	2.9
124.07595	2.0
125.09630	13.0
128.10724	26.9
129.03384	3.4
129.06996	2.6
130.03741	1.9
130.08658	2.0
131.04924	2.1
131.08591	3.8
133.10127	1.7
135.08035	3.0
135.11716	3.0
137.09653	1.5
138.12761	4.5
143.08521	1.7
145.02835	4.0
145.10115	3.0
146.09587	1.3
148.11244	1.7
149.09567	1.3
149.13222	1.2
154.08656	6.9
157.10103	3.0
159.04384	1.6
159.11674	3.3
172.09706	9.4
177.12729	1.4
180.13834	15.6
187.11105	1.5
189.05498	24.7
189.11221	9.5
190.05817	21.5
191.08415	1.3
192.08902	2.2
199.07567	1.3
200.07843	1.8
205.04985	10.7
206.05269	10.8
220.08215	1.7
221.15417	1.9
223.13280	5.2
248.07925	2.1
251.03506	1.5
252.82587	1.3
273.18597	5.4
276.07324	1.9
276.20444	2.6
286.05988	1.2
290.21228	8.6
291.19528	7.7
304.06952	2.0
308.10062	3.3
308.22156	10.2
318.08176	1.6
332.22623	1.7
336.09607	2.5
350.10962	2.5
350.23288	25.6
368.24350	100.0
369.24765	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01873	7.3
55.05508	21.7
57.03421	10.6
67.05508	21.8
69.03419	13.9
69.07067	43.5
70.06581	4.3
71.04996	4.6
71.53856	3.5
71.54245	4.9
79.05495	31.6
81.07056	41.8
81.15720	3.8
83.04967	12.0
83.08624	9.5
85.02923	19.0
85.06544	12.6
86.09709	5.1
87.04475	6.0
91.05486	25.8
93.07050	70.3
94.34291	3.6
95.04952	11.0
95.08603	23.9
96.78214	3.4
97.06528	100.0
99.08081	29.3
101.06017	4.7
105.07013	6.4
107.05005	4.0
107.08589	71.9
109.02914	4.6
109.10166	34.3
111.08059	12.1
123.08051	8.7
123.11685	6.6
125.09637	5.8
127.03876	4.2
131.56390	3.9
132.08087	5.0
135.04404	8.3
135.08061	8.1
135.11688	38.4
141.09106	4.8
145.02818	6.1
146.09610	8.3
147.09140	6.0
147.10350	4.7
153.09111	14.5
153.12758	63.9
163.03865	4.3
167.06966	4.7
171.10130	13.9
171.13795	62.1
175.03885	5.0
177.05447	14.2
187.02498	6.9
189.11238	7.1
189.14854	12.3
195.06601	4.7
199.09682	11.4
219.04965	11.6
246.14926	4.2
247.15623	12.5
282.04562	5.0
283.08105	15.9
322.14529	5.2
368.15225	42.3
369.14948	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	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
54.90805	1.8
55.05510	18.8
56.45828	2.1
57.03438	2.3
57.07063	8.6
57.31870	2.7
64.25770	2.0
65.03923	2.3
67.05505	40.5
69.03403	7.8
69.07067	19.8
70.71429	2.4
70.71761	5.4
71.04975	6.9
71.08629	2.6
72.15806	2.0
79.05067	3.3
79.05488	33.3
81.06600	3.0
81.07056	49.5
82.07372	1.9
83.04971	4.2
83.08606	7.8
85.06517	7.2
91.05481	55.9
93.07046	78.9
95.04973	37.4
95.08606	56.8
97.06531	13.8
99.08024	3.2
103.05453	5.7
105.07032	92.2
107.04990	3.0
107.08595	59.0
109.06501	13.3
109.10154	48.1
111.08070	5.1
115.05421	5.6
116.06223	3.2
117.07016	19.4
119.06084	2.1
119.08582	100.0
120.09372	3.1
121.06512	10.4
121.10149	49.6
123.08057	5.0
123.11731	13.4
125.09588	2.8
128.06200	9.3
129.03351	5.1
129.07008	18.1
130.07751	8.4
131.08568	54.9
132.09413	2.5
133.06480	2.8
133.10133	67.8
135.08044	19.5
135.11705	22.2
137.09650	6.0
141.06931	6.3
142.07793	22.2
143.08559	42.9
144.09322	9.6
145.10127	70.0
146.07242	7.9
147.08096	12.1
147.11673	20.3
149.09618	17.8
149.13289	3.7
155.08549	14.3
156.09349	13.5
157.10144	54.2
158.10883	8.5
159.08018	6.4
159.11707	37.9
161.09633	48.1
161.13248	8.8
163.11189	3.0
165.06975	3.9
167.08543	7.4
168.09322	5.8
169.10196	16.2
170.10861	8.0
171.08069	2.3
171.11693	30.0
172.12424	5.7
173.09622	7.7
173.13274	25.2
175.11165	7.3
175.14810	22.1
177.12717	3.0
179.08513	7.4
180.09250	2.4
181.10110	10.9
182.10907	6.7
183.11710	22.1
185.09660	4.8
185.13216	16.7
187.11259	2.7
187.14810	15.1
189.05478	18.5
189.12779	3.1
193.10158	4.6
194.10876	6.3
195.11646	14.9
196.12439	4.3
197.13284	18.6
199.11185	3.4
199.14793	11.4
201.12677	3.3
201.16422	5.2
205.05000	3.3
207.11732	5.8
209.13232	23.8
210.13986	2.9
211.14857	13.1
213.12737	7.5
213.16354	7.9
215.14238	3.2
217.15884	4.8
219.17455	2.4
220.12582	2.3
221.13174	2.7
222.14067	2.9
223.14799	8.3
225.16338	3.7
227.14246	22.6
229.15910	2.3
235.14676	2.2
237.16280	4.9
239.17967	8.1
241.19598	3.4
247.14732	2.9
249.16322	4.3
251.17981	4.3
255.17355	4.9
257.19025	5.2
265.19476	2.3
283.20554	3.0
293.21329	3.3
331.85724	2.3
331.89752	2.2
349.25217	12.9
367.26309	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12706	0.7
53.03949	2.4
55.01874	7.6
55.05517	12.8
56.96569	5.7
57.03435	7.2
57.07056	1.5
59.26329	0.9
61.02927	1.8
65.03931	2.3
67.05505	34.0
69.03426	2.8
69.07068	17.4
70.02632	0.8
70.46070	0.7
70.70630	1.8
71.04984	2.7
71.08627	7.6
73.02911	2.7
78.61258	0.7
78.87109	0.9
79.05492	21.9
81.03416	2.3
81.07054	34.8
83.04971	4.2
83.08624	7.5
85.02901	3.6
85.06567	2.6
90.76365	0.8
91.03974	1.4
91.05482	17.0
93.07043	21.5
95.04984	7.8
95.08604	24.2
96.08912	1.1
97.02896	2.5
97.06523	7.1
97.10193	5.3
98.97572	16.6
99.08116	5.3
103.05455	1.9
105.07036	17.5
107.04972	4.1
107.08593	17.5
109.06519	3.7
109.10156	10.9
110.97559	2.8
111.04469	1.9
111.08075	3.1
112.99139	2.5
113.06016	0.8
115.05431	1.2
116.38770	0.8
116.98627	4.6
117.03360	0.9
117.06994	5.5
119.08595	11.0
121.06510	2.5
121.10142	8.6
123.08041	2.5
123.11708	4.2
125.09661	4.4
128.98634	2.1
129.03365	15.2
129.06967	1.5
131.00159	5.0
131.04933	3.0
131.08588	9.5
133.10146	10.1
135.08044	3.1
135.11700	3.8
137.09641	2.0
137.13243	2.3
139.11131	0.9
143.00125	2.0
143.08571	3.2
145.02867	3.6
145.10115	8.6
147.03116	2.6
147.08167	1.0
147.11673	7.6
149.01218	7.1
149.09621	7.3
149.13281	3.1
151.11191	3.7
156.03613	2.1
157.10112	1.6
158.99602	5.7
159.04419	1.7
159.11694	7.2
161.01271	1.2
161.05994	4.3
161.09607	1.9
161.13269	2.3
163.11130	3.5
163.14830	1.1
165.12782	1.6
167.02284	1.7
167.54370	1.0
170.99678	3.8
171.10182	1.6
171.11737	2.0
173.01132	1.3
173.11862	1.2
173.13298	3.2
175.14868	1.2
175.60158	1.0
177.00685	6.8
177.12762	1.9
185.13243	2.1
187.11232	1.2
187.14845	1.9
189.00729	3.6
189.05466	100.0
189.11238	3.6
190.05798	2.6
190.07692	1.4
191.02267	2.6
191.03867	1.3
191.08588	1.7
191.14355	1.0
195.13783	2.8
199.07584	1.1
201.00749	1.7
201.16399	1.4
203.02147	1.9
203.14430	1.5
205.04994	10.8
205.12326	0.9
209.15245	0.9
213.16365	0.9
219.01733	1.4
219.05244	3.1
219.08119	2.4
219.17477	3.2
223.13275	2.2
225.00603	0.9
227.12723	1.2
228.05739	2.3
229.19403	1.2
237.02773	1.0
239.18013	2.3
239.56424	1.0
247.07587	2.0
247.20604	2.0
257.19034	3.8
258.06793	0.9
261.02814	1.9
261.22076	2.0
269.17477	2.4
275.07025	2.1
275.20068	27.9
277.13855	3.9
279.03879	2.0
279.10077	0.9
279.23251	3.4
293.05460	5.5
293.21115	23.4
307.09521	1.7
321.04987	5.6
323.12445	4.5
323.62628	1.2
335.09222	1.6
349.10858	1.1
349.23779	14.2
358.16406	31.7
358.66608	10.0
367.11887	1.0
367.17899	1.1
367.24905	20.7
374.39493	0.9
378.67838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	0.2
61.60185	0.2
62.98255	0.3
71.45223	0.6
76.72517	0.3
85.02881	0.4
101.00899	0.4
112.89605	0.3
119.01952	0.3
130.99779	0.3
134.80153	0.3
156.19543	0.3
157.03497	0.5
185.04262	0.7
203.05350	0.8
205.05428	0.6
205.06871	1.4
223.06650	0.7
232.92149	0.5
265.07816	0.4
267.07462	0.4
268.98270	0.5
281.85043	0.3
298.28842	0.3
367.12091	100.0
368.12762	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1651
Annotation	Dasyrachine
Peak:m/z	Relative Intensity
52.63760	0.4
55.05493	0.5
56.07727	0.4
60.06599	0.4
67.05510	0.9
68.05049	0.4
69.07052	0.5
69.83459	2.2
74.07458	0.4
78.96214	0.4
79.05480	1.3
80.05047	0.6
81.07072	1.9
85.06528	0.5
91.05476	1.4
93.07047	1.9
94.06573	1.0
95.04973	0.8
95.08611	0.9
97.06525	0.5
105.07021	1.6
106.06519	0.7
107.08628	0.9
109.05310	0.5
109.06525	0.9
109.10170	0.5
115.05473	1.3
117.05744	0.4
117.07008	2.2
118.06560	3.8
119.08565	1.0
120.08109	1.5
121.06470	0.5
121.10178	0.4
122.06001	0.7
123.08257	0.4
129.07024	1.7
130.06529	5.5
131.07326	0.6
131.08600	0.7
132.08095	2.8
134.09657	2.3
142.06610	0.5
144.08089	9.2
145.06529	0.5
146.06006	7.6
146.09647	0.6
148.07530	0.5
150.09145	0.5
154.06534	0.9
156.08084	3.9
158.06033	0.5
158.09651	0.9
160.07591	1.7
161.08450	0.6
162.09157	3.6
167.07298	0.6
168.08109	2.5
169.07649	2.8
170.06038	1.0
170.09689	0.4
171.09169	1.1
174.09151	0.7
180.08110	2.1
180.10223	1.2
181.08856	0.9
182.09682	1.6
183.09186	0.8
184.07581	0.9
188.07062	5.2
188.10747	0.7
189.05484	0.6
191.08551	0.6
193.08919	0.8
194.09669	1.8
196.11256	0.7
199.07527	0.6
204.08076	0.4
205.08960	0.4
206.08058	0.6
206.09778	0.9
208.11247	1.6
215.08199	2.4
217.08879	0.8
218.09721	1.3
219.10349	0.6
220.09453	0.5
220.11397	0.8
222.09206	0.5
222.12779	0.5
223.08696	1.1
224.09529	0.7
226.12387	0.5
230.09711	0.4
231.10497	0.6
232.11234	1.2
234.12859	1.1
241.09627	0.4
243.10657	0.6
248.14383	0.9
258.12802	0.9
260.10727	0.7
262.12314	0.8
268.13492	0.6
269.09348	1.9
269.12033	0.4
275.07190	0.5
275.15427	0.6
276.13904	1.4
277.13388	1.3
287.15421	0.6
292.03674	0.6
293.09198	1.6
295.14444	1.8
303.06622	0.8
303.14929	1.0
305.16531	0.5
321.16071	1.3
335.05606	0.4
335.09229	1.3
349.15466	9.0
367.16553	100.0
367.20691	5.2
368.16898	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95051	1.9
57.03423	2.3
57.73656	2.1
68.99756	2.1
70.06586	2.3
71.56170	2.5
76.29370	1.8
79.05479	3.7
81.03397	2.0
81.07065	3.3
85.02930	3.5
85.06591	1.9
89.03920	2.4
91.05474	4.5
93.07042	2.5
95.04990	3.1
95.08599	2.1
97.02894	2.7
104.62720	2.1
106.23779	1.9
119.08565	2.5
131.08592	2.5
132.05722	2.5
136.06258	3.6
141.07047	4.3
147.04417	4.0
165.07005	10.6
167.08559	2.3
169.06454	4.7
173.02264	2.3
176.06238	3.0
177.05441	6.3
177.07008	5.4
178.07806	11.6
179.08621	4.6
189.05450	6.5
189.07019	28.1
189.08542	2.7
190.07767	37.2
191.08549	100.0
192.09325	13.6
194.07365	2.8
195.07979	3.1
199.07529	62.1
200.06242	3.4
201.06918	3.8
202.07805	24.9
203.08569	6.0
205.06566	17.2
205.08290	3.8
207.08018	3.2
217.10184	3.4
218.07204	11.2
219.08043	83.1
220.08711	10.7
229.06305	15.3
230.07272	4.3
231.07976	7.4
233.06017	9.4
234.06815	3.6
235.07407	2.7
236.08223	2.3
237.09131	6.4
245.05927	3.5
245.09586	3.2
246.06836	5.2
247.07539	88.0
248.08322	7.1
249.05489	3.4
251.07141	3.0
251.10667	3.3
257.05963	17.2
258.06528	2.7
259.07562	15.2
261.05487	4.6
261.09073	6.4
263.06961	3.8
265.08517	3.8
273.05441	5.2
274.06247	5.1
275.07040	78.4
276.07562	2.5
278.05679	4.6
279.10187	16.6
285.05389	25.3
289.08575	25.8
293.08136	23.8
303.06528	63.2
307.06186	4.7
307.09637	57.5
317.08163	19.8
321.07599	5.1
335.05231	5.0
335.09119	64.7
335.13113	3.6
339.12167	3.3
349.10675	33.5
353.10162	6.6
353.22964	2.8
367.08075	12.2
367.11929	6.6
367.17868	3.3
367.22864	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.96553	0.5
57.03437	0.4
67.05486	0.8
69.07063	0.3
70.68104	0.6
73.02882	0.4
79.05488	1.0
81.03428	0.6
81.07049	1.0
83.01255	0.2
83.08643	0.3
85.02896	0.5
91.03899	0.3
91.05470	0.4
93.07034	0.8
95.04988	0.5
95.08595	0.8
103.05465	0.7
105.07033	0.9
107.08604	0.6
107.87154	0.3
109.10149	0.6
113.00903	0.3
118.04111	0.6
119.08634	0.5
121.10110	0.4
129.03369	15.3
130.96944	0.2
131.04939	1.9
131.08521	0.3
133.10103	0.3
142.36658	0.2
145.10080	0.4
146.03612	0.8
159.04390	0.4
161.05994	5.1
163.11195	0.3
188.07031	0.9
189.05476	100.0
190.05881	0.6
190.07600	0.5
191.08563	1.2
201.07188	0.5
202.07822	0.7
205.04897	0.8
218.07216	0.3
219.08119	1.5
229.06468	0.9
247.07632	1.4
263.07086	0.5
267.09042	0.6
271.12234	0.4
275.07108	0.9
275.20084	1.0
279.10062	0.3
285.10095	0.8
289.08530	1.4
303.06470	0.9
307.09561	0.7
317.08072	1.2
335.09146	0.9
349.10907	1.2
367.11740	0.6
367.22464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1178
Annotation	Candidusin C
Peak:m/z	Relative Intensity
53.03940	4.6
56.96558	3.1
57.03439	5.7
66.18333	2.1
67.05489	8.6
69.03421	3.2
69.07086	3.4
73.67419	2.0
79.05483	9.3
80.60348	2.2
81.07038	9.5
82.36009	2.1
83.04965	2.4
85.02879	2.7
91.05506	14.4
93.07025	5.9
95.04940	4.6
95.08625	6.7
97.06511	4.9
98.20729	5.1
100.30458	2.3
103.05478	100.0
105.03377	4.2
105.07018	4.1
107.08622	6.0
109.02782	2.3
109.06489	4.1
109.10137	2.8
118.04195	2.5
119.08593	4.2
121.06483	4.3
129.03365	7.5
131.04935	54.2
131.08614	2.5
133.06445	2.2
133.10126	4.8
135.08031	4.8
137.05986	13.8
141.06874	2.2
145.02856	7.7
159.04436	55.2
161.02370	3.9
161.05989	6.8
163.03931	3.0
163.07561	42.6
165.06947	6.0
173.02370	3.9
177.05478	5.4
177.07002	2.4
178.07719	6.2
179.08588	17.2
181.06450	4.3
189.05438	27.2
189.07028	16.7
190.07764	24.5
191.03499	11.2
191.07011	5.1
191.08556	53.5
192.09323	8.2
195.08147	2.8
195.11769	2.9
199.07553	4.9
201.06998	3.7
202.07788	18.5
203.08565	6.6
205.04935	14.7
205.06439	11.8
207.08031	10.1
208.08824	2.6
218.07217	9.7
219.08061	54.8
220.08784	7.4
229.06493	7.7
230.07253	3.9
231.08069	9.0
233.05983	3.4
235.07527	6.5
236.08344	2.8
237.09143	4.2
246.06834	4.2
247.07552	58.6
247.09984	4.6
248.08305	5.0
251.10750	4.3
257.05923	8.0
259.07550	3.1
261.09180	3.1
265.08600	5.4
269.17441	3.6
275.04327	4.0
275.07062	53.2
275.20084	4.2
276.07672	4.1
279.10120	19.8
285.05405	7.5
289.08542	19.7
291.10468	2.6
292.07233	2.8
293.08051	8.3
303.06531	24.0
307.06201	4.0
307.09641	40.7
308.10016	2.7
317.08069	12.2
321.07635	4.6
325.10587	2.8
335.09155	31.9
335.13019	3.8
339.12256	6.0
349.10583	15.7
353.10077	5.4
367.08063	4.4
367.11798	52.8
367.20871	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	367.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15521	0.3
60.34013	0.3
66.20868	0.3
70.80535	0.9
84.60590	0.3
92.21653	0.3
103.05460	0.3
118.04173	0.5
129.03360	16.0
131.04903	1.9
141.44785	0.3
146.03618	0.6
157.98596	0.3
159.04445	0.5
161.05980	5.4
189.05463	100.0
190.05754	0.7
269.66071	0.3
344.64932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
55.05514	13.0
57.03428	7.2
65.03948	3.7
67.05503	36.5
68.05039	2.2
69.07070	13.5
69.28174	3.1
69.28571	16.5
71.04977	2.0
79.05495	22.3
79.36274	1.8
81.03417	4.4
81.07062	35.2
83.04977	5.2
83.08627	6.3
85.06526	2.6
91.05483	20.3
93.07050	16.6
95.04971	6.8
95.08619	19.4
97.06561	12.2
97.10167	4.2
98.97541	2.8
103.05495	3.0
105.07058	15.6
105.24381	1.9
107.04949	6.0
107.08617	15.7
109.06516	5.1
109.10157	9.5
111.08085	4.8
115.01621	2.2
115.05485	3.8
117.07034	6.4
118.06532	4.1
119.08595	14.4
121.06571	2.4
121.10169	10.3
123.08122	4.5
123.11719	3.0
125.09648	6.3
127.08541	1.9
129.03354	4.0
129.07010	4.3
130.06561	5.1
131.08594	6.1
133.06464	2.1
133.10127	9.4
135.04482	2.7
135.08035	3.9
135.11697	2.6
137.05948	2.7
139.05383	2.6
141.06995	8.9
144.08113	6.7
145.10147	7.5
146.06030	6.2
147.11678	7.8
149.02379	4.3
149.09593	7.1
149.13260	2.2
149.43039	2.3
152.06203	2.5
152.34859	2.2
155.08478	2.1
157.10172	2.8
159.11720	5.7
162.09146	2.2
163.03900	3.9
163.11203	2.6
165.07053	8.2
167.07108	2.4
167.08614	2.2
168.08070	2.9
169.06465	9.0
169.07709	4.4
173.11763	2.3
173.13206	3.0
176.06230	2.8
177.06953	2.0
178.07800	9.2
179.08583	5.6
183.11882	2.2
188.07077	5.0
189.05457	11.7
189.07050	23.7
190.07767	33.7
191.08566	84.3
191.10345	4.5
192.09335	11.3
195.08119	3.7
199.07553	85.6
200.06189	3.4
201.07079	3.8
202.07784	38.5
203.08540	9.4
205.04933	3.4
205.06529	20.4
207.08061	4.3
213.05338	3.0
215.08466	4.8
217.10138	5.8
218.07359	12.8
218.09279	3.1
219.08054	59.5
220.08842	5.9
221.05991	3.1
229.06483	35.6
229.19606	2.5
230.07278	10.8
231.08067	12.1
233.06084	8.8
234.06863	3.0
236.04840	3.5
236.08200	2.5
237.09129	5.0
239.17923	2.3
245.09639	9.5
246.06775	9.5
247.07559	68.7
247.20415	3.1
248.08159	3.9
251.10893	2.7
257.05994	36.2
257.19092	5.0
258.06711	6.4
259.07562	21.2
260.04736	2.4
261.05878	2.6
261.09103	6.4
263.07278	3.4
263.10559	3.3
273.05447	11.7
273.08847	3.0
274.06250	4.0
275.07025	62.3
275.20148	21.7
276.07642	2.9
279.07407	2.2
279.10162	12.2
285.05505	49.6
289.08603	29.1
290.09460	2.8
291.06500	2.8
292.03552	5.2
293.08118	10.3
293.21237	4.0
303.06522	62.8
307.09659	38.9
317.08066	26.4
321.07489	5.1
335.05493	5.5
335.09128	50.9
339.12463	4.0
349.10730	34.3
349.15421	6.9
349.23813	6.9
353.10193	7.8
367.08130	5.4
367.11816	17.6
367.16476	100.0
367.20953	56.2
367.24915	24.4
393.31879	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45790	0.6
60.16540	0.6
69.42773	5.2
86.89828	0.7
109.25584	0.7
119.01917	1.3
134.07179	0.7
158.99911	0.8
177.00975	5.0
182.99899	0.9
198.97984	1.0
201.00932	0.8
216.98909	4.6
219.01990	8.0
222.97798	1.6
235.00023	8.2
240.98936	9.4
243.02045	1.5
253.01031	1.5
258.99997	29.0
260.00046	1.4
261.03079	16.8
262.03098	1.1
264.98990	2.8
273.98538	1.2
277.01047	15.7
278.01227	0.8
282.99979	75.0
284.00095	2.9
301.01050	100.0
302.01184	3.1
303.01160	0.8
319.02206	4.8
319.94965	0.8
324.02661	2.4
325.00995	11.7
343.02109	60.9
344.02206	1.9
361.03159	14.6
363.60043	0.7
366.03442	1.0
368.77109	0.8
372.51602	1.0
385.02887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
53.67563	0.2
61.73048	0.3
61.73357	0.3
65.03616	0.3
65.03937	4.6
68.36755	0.3
70.90821	0.3
70.91155	0.4
78.56409	0.2
79.05482	0.4
89.03911	1.7
91.05453	0.6
94.35118	0.3
94.68966	0.2
103.04793	0.5
103.05458	7.4
105.07014	0.7
117.03361	2.2
118.04111	0.7
121.06501	0.4
129.03369	0.8
131.04936	1.9
135.08144	0.3
137.73753	0.3
145.02840	19.4
149.05998	0.4
159.04428	1.5
162.03096	0.3
163.07544	2.0
173.02310	2.1
176.04691	0.3
177.05470	5.0
181.53574	0.2
189.05460	5.5
189.07031	0.6
190.07669	0.4
191.07016	0.4
191.08624	0.9
192.64705	0.3
205.04948	100.0
206.05286	1.4
217.04916	0.4
219.08069	0.7
220.08604	0.3
247.07619	1.1
275.07034	0.7
279.10162	0.6
289.08545	0.8
307.09552	0.9
317.08029	1.0
335.09024	1.3
339.12296	1.2
349.10718	0.8
367.11746	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
60.02693	0.3
65.03932	1.2
70.90947	0.9
73.58103	0.3
87.61189	0.4
91.05482	0.3
103.05470	7.4
105.07026	0.4
106.92433	0.3
108.59609	0.3
117.03446	0.5
118.04160	0.9
125.20852	0.3
129.03360	15.3
131.04948	3.2
145.02856	4.4
146.03630	0.6
159.04443	1.8
161.05971	4.4
163.07518	0.6
173.02301	0.6
177.05455	1.3
178.07716	0.4
189.05464	100.0
190.05884	0.8
190.07764	1.5
191.08551	4.8
192.09239	0.4
201.06802	0.5
202.07742	0.9
203.08617	0.4
205.04953	15.5
206.07178	0.3
218.07346	0.5
219.08041	4.9
220.08842	0.7
229.06383	0.4
230.07307	0.3
247.07567	4.1
248.08217	1.0
257.06018	0.6
275.06979	1.9
279.10132	1.6
289.08545	1.0
290.09467	0.6
307.09631	4.6
317.08081	0.8
335.09122	3.5
339.12213	0.7
349.10651	3.8
367.11884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
50.61697	0.3
53.03929	0.2
55.01852	0.4
55.05518	1.4
57.03394	0.2
57.07076	2.8
67.05498	1.4
69.07059	1.3
69.25388	0.6
69.25793	1.8
71.05006	0.3
79.05484	0.9
81.07043	1.5
83.04971	0.8
83.08637	0.5
85.06547	1.7
88.52141	0.2
91.05466	0.8
93.07037	1.2
95.04941	0.4
95.08604	1.8
105.07027	0.8
107.08591	1.3
109.06525	1.9
109.10134	0.7
111.08055	0.3
117.07007	0.4
119.08614	1.4
121.10128	0.6
123.08067	2.8
124.08844	1.4
126.57040	0.3
129.06992	0.3
131.08603	0.7
133.10127	0.8
135.08057	0.8
137.05995	0.4
137.09628	0.3
138.06705	0.4
139.07579	0.5
143.08533	0.5
145.10146	0.7
147.08035	0.3
151.07568	3.0
152.08334	6.1
157.10144	0.8
159.11725	0.6
161.09517	0.3
165.07091	0.5
165.09120	8.3
165.12816	0.5
166.09911	0.6
171.11664	0.7
173.13252	0.2
175.11241	0.4
177.09120	0.4
177.12788	0.7
179.08447	0.3
179.10703	1.8
181.12277	0.6
185.13249	1.0
187.14888	0.3
193.10196	0.4
194.12996	3.8
194.14575	0.4
197.13348	0.4
205.10139	0.3
207.13785	2.0
221.15248	0.3
235.16896	0.6
249.18492	0.7
253.08630	1.0
263.20117	2.4
268.10883	1.2
277.21567	0.4
305.15323	0.4
319.26346	0.8
333.14969	0.6
347.25867	16.6
348.26242	0.4
365.26901	100.0
366.27362	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2684
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.01871	0.7
55.05512	3.5
56.96545	0.6
57.03423	0.9
57.07058	2.7
67.05505	4.8
69.07069	4.2
69.80260	3.3
71.08660	0.9
76.81721	0.6
79.05479	2.4
81.07065	5.1
83.04956	1.5
83.08613	1.5
85.06536	1.8
87.98559	0.6
91.05489	2.7
93.07045	4.0
95.04954	1.5
95.08614	3.7
97.06509	1.8
105.07036	2.9
107.08612	4.0
109.06514	2.6
109.10143	2.6
111.04415	1.4
111.08090	1.1
114.98938	0.5
119.08563	2.7
121.10139	2.3
123.08067	4.3
123.11676	1.1
125.05982	1.7
127.35747	0.7
131.08586	0.8
133.10168	1.7
135.08032	1.9
135.11716	2.4
137.06006	1.6
137.09627	0.9
139.07556	0.9
139.72418	0.6
143.08528	1.1
144.32166	0.6
145.10123	2.0
147.11697	2.1
149.09668	1.1
149.13184	0.6
151.07567	3.7
152.08322	2.3
157.10136	0.8
159.11705	1.1
161.09592	1.3
165.09094	12.1
165.10353	1.0
165.12746	0.8
171.11775	0.8
173.13246	0.6
175.11258	1.2
177.09042	0.8
179.10666	2.0
179.14331	0.7
189.05478	1.0
193.12289	1.3
195.13864	0.7
208.14674	1.2
221.15436	2.0
235.16974	0.8
249.18660	0.8
263.20123	2.2
291.19653	0.8
305.24777	10.6
319.26239	4.8
347.25815	42.2
348.26059	1.1
365.26883	100.0
366.26965	1.1
386.60806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.23
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
51.86700	0.6
53.03940	0.8
55.01864	1.6
55.05497	2.3
55.67601	0.6
56.96555	3.7
57.03417	1.9
61.02908	1.2
67.05509	5.8
69.03414	1.1
69.07056	1.4
70.64203	1.9
71.04980	0.8
73.02914	1.4
79.05496	5.8
81.03402	2.5
81.07064	6.2
83.04964	2.5
83.08601	1.7
85.02888	2.8
85.06541	1.0
91.03963	0.9
91.05480	4.5
93.07035	4.8
95.04943	1.5
95.08596	2.3
96.33155	0.6
97.02874	1.6
97.06524	1.2
97.10158	1.0
98.97557	1.2
105.07068	3.1
107.04965	1.2
107.08599	1.6
109.06513	2.1
109.10171	1.5
111.04476	1.1
111.08093	0.9
117.06996	1.7
119.08572	2.3
121.06493	0.9
121.10153	1.6
123.08049	0.9
129.07008	1.0
130.25412	0.6
131.08562	1.6
133.06348	0.8
133.10120	2.8
135.08066	1.4
135.11670	1.3
140.57954	0.6
143.08493	0.7
145.10132	1.4
147.08008	1.2
149.09657	0.7
151.11171	1.7
157.10066	0.7
159.11650	1.0
163.11179	1.6
172.80379	0.8
181.12332	1.2
189.05472	2.9
189.07040	0.8
199.06346	0.8
205.08356	1.1
229.07480	1.1
245.18860	0.6
253.14291	1.6
255.09024	2.0
267.09012	4.5
273.18469	2.2
283.08472	0.9
285.10068	5.0
291.19675	3.6
292.05197	0.7
301.12894	0.8
308.11731	0.9
347.22073	1.1
365.10422	1.6
365.22995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01881	5.2
55.05512	24.4
56.96555	1.8
57.03437	11.0
57.19043	0.9
61.02905	1.2
62.93017	1.0
65.03941	1.6
67.05509	32.8
67.50334	0.8
69.03429	11.7
69.07074	43.0
69.25531	1.6
69.25934	7.1
71.04977	2.1
73.02913	1.4
78.43834	0.8
79.05500	26.1
81.03412	6.1
81.06590	1.4
81.07057	23.5
83.04972	3.8
83.08621	12.7
84.60574	0.9
84.69440	0.8
85.02930	1.2
88.57837	0.9
91.05483	15.5
93.06488	1.3
93.07049	19.4
93.26757	1.0
95.04981	8.1
95.08620	12.4
97.02898	17.6
97.06526	3.3
97.10178	16.0
105.07042	11.3
107.04958	7.2
107.08591	14.8
109.02862	0.9
109.06503	2.8
109.10174	10.8
111.04445	1.1
111.08073	2.6
117.07012	5.5
119.08592	12.2
121.06494	2.7
121.10174	6.3
123.08057	3.6
123.11724	2.3
125.09647	11.6
129.07008	3.2
129.89716	1.0
131.08588	7.8
133.06500	1.4
133.10149	6.5
135.08041	4.0
135.11687	3.1
137.09602	3.1
143.08556	3.1
145.10143	4.4
147.08069	5.7
147.11693	4.0
149.09631	1.7
149.13243	2.6
151.11209	1.1
153.09088	1.9
157.10143	2.6
159.08058	1.5
159.11697	4.1
161.09608	2.6
161.13354	0.9
163.11177	2.0
165.09120	3.2
171.10262	1.3
171.11749	1.7
173.09804	1.0
175.11230	2.6
177.12701	2.2
185.13216	1.6
189.11229	6.4
189.16368	4.8
193.12189	1.2
195.13785	2.9
205.12198	1.8
217.19524	1.1
223.13318	30.1
227.12735	2.1
245.19070	2.6
249.14786	1.4
267.09061	3.8
269.10544	1.2
273.18509	17.1
284.13147	1.3
285.10117	6.8
291.19547	100.0
301.13260	1.2
347.22208	2.1
365.23218	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1495
Annotation	Kopsinitarine B
Peak:m/z	Relative Intensity
53.03928	0.4
54.22549	0.4
55.05511	0.5
57.03436	0.8
67.05492	1.7
68.05026	0.7
69.03419	1.3
69.07058	0.6
69.37009	3.8
71.62572	0.5
75.10331	0.4
79.05486	2.4
80.05036	0.5
81.03433	0.7
81.07053	1.6
82.06588	0.8
83.04977	0.7
84.29374	0.5
85.02878	0.5
91.05488	1.9
93.07037	1.3
94.06525	0.6
95.04967	1.2
95.08598	1.0
97.02844	0.6
97.06523	1.1
105.07044	1.5
106.06552	1.0
107.08596	1.0
108.04473	2.1
109.06544	0.6
110.06031	1.4
113.50263	0.4
115.05439	0.5
115.36358	0.4
117.05760	1.4
117.06999	0.9
118.06538	1.6
119.08582	1.0
121.06509	1.0
124.07589	0.8
129.06978	1.0
130.06532	7.1
131.08603	0.7
132.08064	1.7
135.08043	0.6
142.06532	0.9
143.07310	0.8
144.07014	0.9
144.08092	9.3
145.10136	0.7
146.06027	4.1
147.11678	0.6
148.07564	2.1
149.06013	0.5
154.06508	1.4
155.07304	0.6
156.06570	1.4
156.08090	2.7
158.06058	0.5
158.09621	1.2
159.08014	0.5
160.07561	1.6
167.07323	8.4
168.08125	2.6
168.65239	0.5
169.07626	6.0
170.06013	0.7
171.09163	1.2
172.07556	0.8
176.07091	1.7
178.08675	1.3
180.08090	3.6
181.08873	1.3
182.09668	12.2
183.09151	0.6
184.11212	0.7
188.07089	3.8
189.05499	0.9
189.07030	1.1
192.08145	1.5
193.08835	1.0
194.09673	4.3
196.93074	0.5
198.09138	0.5
204.08109	1.1
205.08900	0.7
206.09648	2.1
208.07590	0.7
208.11264	0.6
210.09166	11.8
215.08162	2.3
217.08873	1.1
218.09702	1.3
220.11287	0.6
222.09126	2.0
230.09698	1.2
231.10498	0.7
232.11223	1.1
246.12785	0.6
247.12511	0.7
258.09125	0.5
268.09662	0.8
273.13818	0.6
293.12939	0.8
319.14313	0.6
333.07559	0.7
347.13870	2.2
365.14966	100.0
366.15298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83414	0.5
56.61834	0.5
69.03439	0.6
71.06363	1.1
81.07031	0.9
85.02885	1.0
91.43142	0.5
91.48376	0.5
113.03854	0.5
120.05447	0.6
136.06233	1.2
139.94647	0.5
171.00537	1.7
185.04195	4.8
191.03415	0.8
193.03891	0.7
203.03157	100.0
204.03542	0.6
233.81926	0.5
244.05942	0.8
345.25906	0.7
365.08380	46.0
365.15695	1.2
366.09171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81791	0.6
62.41360	0.7
69.35592	4.1
69.35998	1.4
70.95803	0.6
84.74693	0.6
85.02906	1.5
104.33945	0.6
119.01929	0.7
127.03910	0.9
143.01860	1.2
184.05858	0.8
185.04248	16.6
193.06381	1.1
203.05278	41.8
223.06686	2.1
245.05121	1.4
265.07758	2.7
365.10587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
56.96540	0.3
57.03440	0.4
67.05502	1.2
69.03425	0.7
69.07052	0.8
70.06572	0.7
70.83936	1.0
70.84332	0.4
72.04511	0.3
79.05461	1.5
81.03422	3.6
81.07052	2.2
82.03714	0.5
83.04977	0.5
83.08607	0.8
85.02914	2.3
85.29250	0.4
86.09694	1.0
86.30693	0.3
90.05523	0.9
93.07035	1.2
95.04974	1.4
95.08614	0.8
96.23488	0.4
105.07027	0.6
107.08565	1.1
111.08073	0.6
119.03566	1.0
119.08581	1.2
121.10091	2.0
131.08580	0.4
133.10034	0.4
136.06184	100.0
137.04581	1.3
142.08670	0.6
149.09637	1.0
157.10141	0.6
167.10683	1.7
175.11198	0.7
179.56697	0.4
184.09729	0.5
191.03435	0.5
193.12338	1.8
202.10736	1.2
211.13327	1.9
232.32639	0.3
307.17786	0.4
328.14072	0.5
346.14777	0.7
346.18701	5.6
364.07416	0.9
364.19788	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	365.0639
Annotation	Dehydropachyrrhizone
Peak:m/z	Relative Intensity
56.96303	2.3
56.96567	35.2
57.03439	2.0
61.02915	1.3
61.27818	1.4
63.41969	1.4
67.05505	3.2
67.13006	1.4
69.03427	7.0
69.07066	2.1
70.06581	7.1
71.53757	2.5
71.54144	1.3
73.02923	1.5
79.05520	3.3
81.03406	4.4
84.08139	2.7
84.96032	3.4
85.02924	7.4
86.09689	1.8
91.05468	6.0
93.07069	1.5
95.04962	1.8
97.02880	3.3
98.96955	2.3
98.97592	30.8
99.04433	2.1
105.07079	1.9
107.08580	2.2
109.02875	4.7
110.97591	13.7
112.99126	2.5
113.88971	1.4
116.98620	13.7
119.04946	1.8
119.08635	1.8
121.10207	1.8
124.07561	1.8
127.03925	5.0
128.98618	10.6
131.00172	2.9
131.08524	2.1
134.99631	3.5
135.04422	2.3
139.03912	2.1
140.98618	1.9
143.00151	3.6
146.99667	5.3
147.04453	11.0
149.01181	1.6
149.09549	1.9
151.84300	1.5
154.59105	1.5
158.99693	3.9
161.01196	5.1
163.00670	2.0
163.03912	7.0
167.10699	2.3
170.99695	2.1
175.03905	6.8
177.00714	2.5
185.11653	2.2
189.00716	2.5
189.05519	2.5
191.00188	2.5
193.04965	1.6
195.03319	3.8
195.20766	1.4
201.00726	1.6
203.05284	6.2
213.04362	5.9
219.01770	11.8
221.01230	5.1
222.11247	1.5
237.02821	16.6
239.02281	23.1
257.03271	10.3
263.02228	2.0
281.03149	1.6
299.02252	1.5
305.03308	1.8
317.03552	2.0
347.22501	1.9
365.05673	100.0
365.10672	10.7
365.17181	21.5
383.06372	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	364.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.2
55.05503	0.7
63.41029	0.2
67.05524	1.1
69.03416	0.5
69.07060	0.3
69.55811	0.5
69.56226	0.9
70.06594	0.8
72.08150	0.5
79.05496	1.0
81.03415	3.9
81.07047	1.1
83.04972	0.7
83.08630	1.0
84.04491	0.4
85.02934	0.5
86.09678	0.4
93.07035	0.8
94.04041	0.2
95.04953	1.3
95.08597	0.4
97.02890	0.4
98.21524	0.2
98.97567	0.3
100.79021	0.2
105.07037	0.9
107.04933	0.3
107.08620	0.4
111.08070	0.3
119.03575	1.2
119.08563	0.7
120.08007	0.3
121.10146	0.3
129.07028	0.6
131.08571	0.5
135.04417	0.2
135.05353	0.2
136.06187	100.0
137.04597	0.7
137.06566	0.3
141.07208	0.2
147.11681	0.6
149.09608	0.4
152.05659	0.3
157.10164	0.6
160.05260	0.2
163.03938	1.3
164.04199	0.3
174.07780	1.0
175.11293	0.6
175.57243	0.2
176.15210	0.2
178.56747	0.2
189.05450	0.4
193.12224	1.5
211.13312	2.0
223.93251	0.2
310.16629	0.5
328.17874	0.5
346.18829	2.1
364.19794	40.6
365.20389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.2
55.22852	2.5
57.03429	4.1
57.57111	2.2
61.40790	2.4
67.05494	3.6
69.03426	6.3
69.07069	3.0
70.06600	3.2
70.44324	2.6
72.04553	3.1
72.08146	9.4
75.04478	12.4
79.05510	11.9
80.83426	2.4
81.03417	8.5
81.07036	9.9
83.04958	3.1
84.04519	2.8
85.02893	18.2
86.09705	3.5
91.05470	10.8
93.07041	90.3
95.04986	5.5
95.08607	6.5
97.02880	6.8
98.02399	2.8
98.21523	5.5
98.97562	2.7
105.07018	5.1
107.08617	5.7
110.07185	3.8
111.08080	11.8
119.08575	4.1
120.08140	11.9
121.10144	100.0
123.11671	4.0
124.07584	3.6
127.03948	6.7
131.08640	3.5
136.06189	87.5
136.46776	2.3
139.11215	20.5
142.08649	4.0
145.03282	2.5
145.04898	3.6
149.09619	15.4
154.04845	2.6
158.99542	2.6
167.07083	3.3
167.10701	42.7
171.59430	2.4
184.09724	4.0
191.03403	4.1
192.03702	5.8
193.12230	2.9
202.10715	8.5
214.40794	2.6
219.01715	3.5
220.11839	2.9
346.15112	4.1
346.18961	3.5
364.07309	9.4
364.19974	51.5
365.15173	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	363.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.48140	0.5
55.05509	5.0
57.07060	1.8
67.05240	0.4
67.05506	4.3
69.03413	0.5
69.07064	7.3
70.19878	1.5
71.04974	1.2
71.08615	0.6
73.06545	0.6
79.05484	3.1
79.54982	0.4
81.07056	8.4
83.08613	3.0
85.06528	1.3
91.05478	1.7
93.07039	4.8
95.08598	9.6
97.06528	1.8
99.08095	0.7
105.07055	2.2
107.08580	3.8
109.06507	8.2
109.10159	3.5
109.66607	0.4
111.08063	2.1
119.08588	3.3
121.10126	3.2
122.07277	0.9
123.08064	51.4
123.11669	2.2
131.08583	0.6
133.10144	2.5
135.08070	3.6
135.11703	1.2
137.09583	2.8
137.13229	0.4
145.10094	1.3
147.11685	1.6
149.09608	1.5
149.13240	2.2
151.11143	0.6
159.11678	1.0
161.13240	1.1
163.11212	0.7
165.12756	0.9
167.14301	1.0
173.13158	0.7
175.14830	0.7
179.14304	17.9
203.45880	0.5
258.61102	0.4
263.20190	0.6
269.13873	0.4
275.20032	1.8
289.25162	0.9
295.22610	0.8
303.26883	0.9
307.22684	7.7
321.24213	0.6
331.26321	4.3
363.28909	100.0
364.29337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.5
55.20438	0.9
57.03413	0.9
57.07077	4.8
60.81584	0.8
67.05505	6.5
69.07065	5.0
70.52905	3.0
71.08617	2.8
79.05476	3.1
81.07054	9.1
83.08602	2.3
84.96114	0.8
85.06564	1.6
89.06022	2.4
91.05476	2.4
93.07059	5.0
95.08614	7.4
97.06544	1.4
99.08104	1.9
105.07058	2.6
107.08583	4.0
109.06519	14.8
109.10153	2.8
111.08088	1.2
119.08576	4.0
121.10144	4.2
122.07320	1.1
123.08072	37.8
123.08972	2.0
123.11691	1.6
133.10132	2.5
135.08073	3.3
135.11679	1.2
137.09608	2.4
145.10129	1.3
147.11681	1.7
149.09608	1.3
149.13246	1.2
179.14311	66.0
193.15884	2.1
202.60663	1.1
220.32547	0.9
307.22562	2.0
321.24240	1.3
331.26242	5.2
363.28931	100.0
364.29263	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2893
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
50.49854	0.3
55.05507	2.3
55.23818	0.3
57.03436	0.4
57.06832	0.4
57.07076	4.7
57.70794	0.4
67.05504	3.7
69.07073	3.5
71.08632	3.2
71.41220	0.5
73.06538	0.4
79.05496	2.5
81.06583	0.6
81.07056	7.8
83.04961	0.5
83.08612	1.2
85.06550	2.2
89.06039	0.6
91.05479	2.1
91.76214	0.3
93.07046	2.8
95.04967	0.5
95.08617	6.1
97.06516	0.6
97.10158	0.6
99.08117	1.6
105.07033	2.1
107.08588	2.8
109.06516	15.2
109.10175	2.5
111.08073	0.5
119.08591	2.1
121.10152	1.7
122.07260	1.7
123.08069	21.9
123.11710	1.2
131.08578	0.5
133.10161	1.8
135.08051	2.7
135.11673	0.8
137.09602	0.8
137.13248	0.5
145.10112	1.0
147.11674	1.2
149.13251	0.6
157.09880	0.3
157.27074	0.3
159.11713	0.6
165.12781	1.0
167.14334	1.2
177.16339	0.3
179.14311	88.1
180.14697	0.6
191.14145	0.5
193.15897	2.9
205.15933	0.3
289.25314	0.5
331.26282	4.2
345.27795	0.9
363.28925	100.0
364.29175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.4
55.01683	1.6
55.01871	17.5
55.05514	91.3
56.96561	4.5
57.03437	36.3
57.07082	2.1
59.04990	3.0
61.02906	4.2
65.03934	5.8
67.05508	63.3
69.03439	13.0
69.06800	1.7
69.07072	20.2
69.65486	8.3
71.04975	4.2
73.02926	3.4
75.64242	1.7
77.03924	2.1
79.05494	71.0
81.03435	9.2
81.06598	3.2
81.07058	54.7
83.04984	22.9
83.08155	2.8
83.08625	42.9
85.02896	6.1
85.06555	4.0
91.03930	3.5
91.05486	83.1
93.07046	48.4
93.07634	2.5
95.04987	10.7
95.08611	19.3
97.02890	5.0
97.06518	6.9
97.10172	79.4
98.97610	2.9
99.04445	3.6
103.05451	3.8
105.07020	26.3
107.04964	18.5
107.08595	46.4
109.06523	10.8
109.10164	20.5
111.04438	7.0
111.08075	5.4
112.13559	1.8
113.00015	33.3
115.05453	9.3
117.07019	48.5
119.04900	2.2
119.08589	100.0
121.06493	16.5
121.10139	7.9
123.08042	4.8
123.11667	4.6
125.06013	2.6
125.09633	76.8
128.06186	2.9
129.06993	8.4
131.08551	21.1
131.80165	1.9
133.06505	5.2
133.10152	9.9
135.08052	28.9
135.11662	7.3
137.09637	6.4
141.06963	5.1
143.08568	12.0
143.10667	6.3
145.06497	34.4
145.10143	11.5
147.08028	18.3
147.11638	5.5
149.06041	2.2
149.09657	5.1
149.13199	5.2
151.07539	5.0
153.09132	12.2
155.08537	6.8
157.10110	10.6
159.08069	32.2
159.11641	8.1
161.09587	7.4
163.07544	12.4
163.11162	3.6
163.14711	2.9
165.09129	2.8
169.02635	35.4
169.10115	5.6
171.10170	6.2
171.11662	6.2
173.09598	9.9
175.11154	3.8
177.09100	3.2
177.12732	4.7
181.10133	2.9
183.11699	4.5
185.09631	3.7
187.11092	3.6
187.14780	2.6
189.11218	98.6
197.13237	3.1
199.11041	2.0
205.15907	2.3
207.13843	3.7
211.11111	2.3
215.14311	4.7
225.16388	3.7
227.12697	9.0
233.15462	9.3
235.14752	3.6
243.17462	7.1
245.13744	2.1
251.16478	2.2
253.15877	8.3
261.18512	8.2
267.09058	5.8
269.12286	3.6
271.16946	63.1
283.08502	3.7
285.10135	9.0
289.17981	36.5
297.15506	3.9
336.96683	2.2
345.20535	20.3
363.17996	2.5
363.21646	61.0
363.26245	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3263
Annotation	CHEBI:131749
Peak:m/z	Relative Intensity
55.05505	0.9
56.05040	4.0
56.96568	0.7
57.07080	4.4
58.06349	0.5
58.06597	6.3
60.04512	2.0
67.05505	1.2
69.07055	1.0
70.06588	0.6
70.17279	1.6
71.08616	2.1
72.07789	0.5
72.08134	2.7
74.06079	4.3
84.08119	0.4
85.10160	0.8
86.06069	3.8
88.07631	30.8
89.06039	0.7
93.07034	0.5
93.67650	0.5
95.08581	0.6
98.21429	0.6
100.07613	1.2
102.09222	0.8
104.07092	3.5
109.10157	0.9
118.08669	0.8
119.10747	0.5
132.10185	8.6
162.11230	2.4
166.10757	1.8
238.25441	0.5
256.26321	0.9
264.81433	0.6
267.13550	0.7
270.27908	25.6
275.62268	0.5
282.27744	0.7
300.28876	1.3
314.30496	9.5
330.65045	0.6
344.31528	1.4
362.32635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
56.96563	1.6
57.03426	1.5
61.02932	1.7
65.93346	1.0
66.95473	1.4
67.75935	1.3
68.05035	12.8
69.03419	4.4
70.06610	1.5
71.54775	1.4
72.08157	2.7
75.92471	1.0
79.05514	1.2
81.03427	1.6
81.04539	1.9
81.07075	1.3
83.06118	3.3
85.02914	8.8
86.09709	1.8
91.05487	3.7
95.06095	100.0
97.02885	3.2
98.97570	4.9
105.82972	1.1
109.02855	1.1
116.98621	1.6
118.06544	1.1
119.04922	2.5
120.05367	1.2
127.03915	2.1
131.04918	2.8
133.05252	1.5
135.37782	1.2
137.05988	2.3
140.23232	1.6
146.06027	3.8
147.04407	4.6
149.53212	1.3
158.99634	1.6
162.05466	1.4
164.07080	4.3
165.09128	2.9
174.05458	2.7
176.07085	6.0
178.08665	2.1
188.03767	2.9
188.07074	4.4
189.05460	2.8
192.06560	8.9
206.08194	1.9
207.06435	2.1
219.01848	2.9
224.09219	13.1
227.10532	1.4
237.02878	1.8
240.11386	2.2
258.12442	1.6
270.12408	11.2
272.14093	1.4
286.11868	24.3
299.81442	1.3
300.13232	1.4
318.14499	29.7
330.10849	33.8
348.11914	6.3
362.13354	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	362.3262
Annotation	CHEBI:131749
Peak:m/z	Relative Intensity
55.05510	0.4
55.80978	0.1
56.05040	0.1
56.96564	0.4
57.07077	7.7
58.06603	2.2
61.02923	0.1
68.05021	0.4
69.07066	0.5
69.64841	0.2
69.65247	0.6
70.06593	17.8
71.08636	3.2
72.08160	0.5
74.06085	0.3
81.07048	0.1
81.94641	0.1
82.34739	0.1
83.08544	0.1
84.04479	0.1
84.08152	0.7
85.02885	0.2
85.10197	1.0
85.24665	0.1
86.06097	0.1
86.09703	0.5
88.07630	24.8
89.06033	0.7
98.97577	0.2
100.07668	0.2
100.70851	0.1
102.09181	17.6
114.09157	0.7
130.14449	0.1
132.10219	0.9
158.37965	0.1
176.12808	0.5
186.99161	0.2
190.14452	0.6
194.13846	0.3
205.00310	0.2
212.23657	1.0
238.25195	0.2
255.09131	0.2
256.26346	62.9
257.26779	0.4
283.08606	0.3
297.10120	0.3
301.09741	0.2
344.31613	4.7
362.32629	100.0
363.33057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
55.05514	33.8
56.96552	4.1
57.03440	5.7
59.05008	3.4
61.02917	2.7
61.59968	2.3
65.03940	3.3
67.05510	91.4
69.03426	7.4
69.07068	30.1
69.17992	25.0
69.56296	2.6
71.04981	9.6
79.05501	29.1
81.03407	4.0
81.07055	42.2
83.04973	7.5
83.08622	20.9
85.02897	7.5
85.06530	5.4
91.05486	28.1
93.07043	32.8
94.07349	3.1
95.04961	7.2
95.08605	29.4
97.06534	12.8
97.10175	27.5
105.07034	21.9
107.04980	3.7
107.08598	56.9
109.10159	88.2
111.04420	4.5
111.08109	4.3
112.04776	2.7
116.98571	2.5
117.07012	7.3
119.08578	17.1
121.10134	11.6
123.11749	4.8
125.09629	26.5
129.05461	5.9
130.05907	3.0
131.08560	7.3
133.10109	17.2
135.08034	7.9
135.11702	6.6
137.05968	12.0
137.09610	9.1
138.06322	9.4
143.08650	2.9
145.10121	10.1
147.11671	8.9
149.09636	7.7
149.13254	9.6
151.07585	2.9
152.40930	2.6
153.09091	5.9
155.10678	28.3
157.12198	3.6
159.11713	12.1
171.10229	3.5
171.11682	3.1
173.11752	100.0
173.13139	3.7
177.12799	5.1
187.11488	4.3
187.13297	88.1
187.14972	4.7
195.13745	14.9
196.14217	5.7
197.13213	3.2
203.12770	34.0
213.14954	2.9
225.07675	2.6
227.16402	7.4
239.17986	5.8
257.18958	14.8
275.17361	4.5
275.20099	52.1
289.21600	11.4
293.21152	3.8
307.22763	15.0
342.14059	7.9
361.08987	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	361.1493
Annotation	Ixoroside
Peak:m/z	Relative Intensity
61.02917	11.7
69.03462	4.4
70.14701	4.2
70.59674	9.3
79.05484	15.2
81.07072	12.4
91.05472	11.0
93.00499	4.5
93.07049	20.6
98.97636	5.4
103.05483	7.4
105.07014	4.8
107.08614	9.3
109.06511	10.8
114.69904	4.2
117.07036	20.7
121.06518	18.4
126.61639	4.5
135.08072	26.6
137.06050	4.6
139.07547	30.6
145.06512	20.3
163.07550	100.0
181.08601	81.8
199.09650	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.0
55.05519	4.3
56.96568	4.0
57.03428	3.5
57.07078	3.1
59.05004	2.4
61.02920	5.7
61.89628	2.4
65.03912	2.5
67.05498	3.7
69.03425	15.6
69.07056	7.4
69.10906	2.6
70.06575	3.8
71.53142	2.8
71.53550	2.9
72.08151	5.0
73.02915	5.0
74.21453	2.5
75.94938	2.4
79.05494	8.2
81.03410	6.0
81.07050	6.5
83.04978	13.3
83.77431	2.3
84.04514	2.8
84.08135	2.4
85.02911	32.9
86.09682	5.0
91.04937	2.9
91.05493	6.9
91.10988	2.3
93.07023	7.4
95.04955	5.1
95.08613	14.5
97.02878	10.9
97.06535	50.4
98.97550	6.3
99.04485	2.5
105.07029	7.0
107.08577	6.0
109.02854	3.6
109.06541	4.6
109.10137	2.8
111.04436	3.0
111.08083	2.7
113.05988	2.9
115.07576	28.4
117.07002	5.7
119.08575	5.1
121.06495	9.2
121.10109	9.0
123.04420	4.6
123.08072	29.1
125.05959	7.3
127.03916	6.8
130.07779	3.4
135.08043	7.5
135.11711	13.1
137.01096	2.6
137.05956	3.0
137.09605	11.1
139.07544	5.7
139.11172	6.4
143.07024	24.3
145.02795	3.8
145.04976	7.7
145.10123	7.9
145.15208	2.6
147.04436	5.2
151.11189	3.2
162.09097	3.0
163.03960	15.4
163.07515	9.1
163.11188	81.5
164.04272	16.6
165.09096	3.7
180.10159	7.0
181.04982	5.3
181.08707	5.1
181.10629	8.2
181.12219	100.0
182.05252	6.3
182.08145	6.0
185.73299	2.6
198.11250	8.0
199.09750	34.7
199.11566	13.3
199.13272	65.2
204.06419	3.0
247.88692	2.5
257.07901	3.2
333.19131	2.8
361.08862	5.9
361.13562	5.6
361.18216	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	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.05307	5.1
55.05519	48.4
56.96571	38.1
57.07089	6.0
58.02229	4.9
59.05000	6.6
65.03942	5.8
67.05175	8.4
67.05509	94.3
69.03419	17.4
69.07078	37.3
69.21161	6.0
69.21487	48.2
71.05002	91.1
73.06547	8.2
73.45763	4.1
79.05504	89.8
81.03415	9.2
81.07051	43.8
82.07381	5.3
83.04972	8.0
83.08629	29.4
85.02924	13.5
85.06534	5.5
91.05472	33.8
92.47630	5.3
93.07052	90.0
94.07393	4.8
95.08617	44.1
97.06541	13.9
97.10178	31.4
97.40073	5.2
98.97584	49.0
105.07040	20.0
107.04928	5.8
107.08600	59.6
108.02110	4.7
109.06519	5.2
109.10163	59.8
110.97610	15.3
111.08068	11.4
112.99152	20.3
113.64174	4.5
116.98626	17.5
117.07052	7.8
119.08604	22.4
121.10152	81.4
122.10482	5.0
123.11730	6.5
124.99136	12.5
125.09627	26.9
128.98608	11.8
130.05930	5.3
131.00183	24.7
131.08568	9.6
133.10150	16.3
135.08003	4.9
135.11700	6.3
137.05972	10.9
138.06358	7.0
143.00159	34.5
145.01782	5.6
145.10168	6.6
146.99600	5.9
147.11652	7.5
149.01233	8.7
149.09567	6.8
149.13313	5.4
153.12743	60.5
155.10683	23.0
157.74840	4.3
159.11732	12.5
161.01251	18.4
173.11758	100.0
173.13206	8.8
177.12891	5.9
179.02412	5.3
181.66580	5.0
185.01280	35.7
187.02841	6.1
189.11275	26.6
190.14404	5.8
197.39294	4.9
203.02264	40.0
221.03395	10.2
226.03990	6.9
227.02341	7.7
227.16444	18.2
239.17999	6.4
257.19159	6.5
275.20081	74.1
277.02344	19.7
287.78223	4.4
295.03424	8.2
298.04761	7.9
298.20221	5.8
314.07733	11.8
319.03397	19.6
324.19119	6.9
326.04120	6.7
337.04337	15.7
342.07263	12.6
359.07480	19.3
360.08221	20.1
374.75165	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2128
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
52.04244	0.4
54.49452	0.4
56.96577	0.7
63.36061	0.5
66.49299	0.5
69.03428	1.0
69.07059	1.6
70.02955	1.6
70.06577	1.0
71.41766	0.4
71.55272	0.5
71.55779	0.6
72.08149	0.4
73.02911	3.5
74.42295	0.4
81.03407	0.4
82.75195	0.4
84.08153	0.7
85.02909	1.3
85.04026	1.4
86.02450	0.7
86.09704	81.9
88.03987	8.9
93.07021	0.9
94.37122	0.4
96.04474	0.7
96.08128	2.2
97.02914	0.7
98.02419	4.0
98.97581	2.4
100.03985	3.9
100.11258	0.6
109.02875	0.5
109.06463	0.5
110.09661	0.5
113.10755	2.7
116.98611	0.7
127.03960	0.7
127.04987	0.6
132.10208	5.5
137.06001	1.7
138.06325	0.9
138.09166	4.9
141.10228	11.8
142.08626	1.1
145.04961	1.3
146.06010	0.6
147.04535	0.4
149.05977	0.5
155.11784	1.3
156.10194	11.9
163.03922	1.0
166.08678	1.1
177.00607	0.7
183.11279	7.5
184.09677	3.4
189.05368	0.5
198.55278	0.4
201.12337	100.0
202.12701	0.7
207.06497	0.5
211.10741	0.5
229.11839	29.9
245.18558	1.9
246.14876	0.5
261.12585	0.5
296.19620	1.0
324.08337	0.5
360.20999	0.5
360.25623	1.5
360.75351	0.5
378.02094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01867	4.6
55.05519	30.3
56.96564	8.5
57.03436	7.7
57.46287	3.8
67.05176	6.6
67.05508	62.1
69.03430	4.8
69.07073	35.0
71.04997	100.0
73.06538	3.6
79.05503	55.1
81.07059	47.8
83.04984	4.4
83.08618	15.3
85.02902	4.2
85.06545	4.3
87.08118	6.1
89.13245	3.7
91.05490	23.7
93.07050	72.5
95.04983	7.8
95.08614	34.1
97.06531	15.0
97.10168	18.9
97.83487	4.0
98.97599	10.4
105.07044	21.2
107.08590	42.6
109.10161	37.2
110.31683	3.6
110.97580	3.6
111.08103	5.9
117.07043	7.7
119.08578	16.0
121.10158	49.2
125.09619	20.0
131.00159	4.0
131.08562	7.8
133.10152	19.7
134.26993	3.7
135.11694	10.3
137.05972	5.6
138.06371	4.4
143.00168	6.0
145.10138	10.6
147.11676	8.8
149.09631	11.4
153.12770	33.7
155.10660	19.3
159.11707	16.1
163.11166	5.6
173.11774	69.0
173.13193	4.9
177.12799	6.8
185.01154	4.2
189.11258	25.6
195.13814	17.4
203.02303	7.1
209.15329	6.3
213.14890	3.5
227.16457	66.1
239.17900	3.9
257.19040	6.7
275.20078	61.0
277.02362	5.6
283.84995	5.2
293.21213	6.7
307.22647	6.6
320.57285	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41032	1.6
53.03944	2.2
53.83081	1.7
55.01873	9.7
56.96563	1.9
57.03434	8.4
59.11488	1.8
60.69022	1.8
61.02922	5.2
67.99574	1.6
69.03432	33.2
70.06595	1.8
71.04971	2.2
71.41418	1.8
71.54175	2.3
72.08135	3.8
73.02920	5.8
75.74449	1.8
81.03426	5.7
84.04543	1.9
84.08150	2.2
85.02911	100.0
86.09704	4.3
89.03921	12.1
91.05495	4.3
95.04947	1.9
97.02895	35.6
98.97589	5.9
99.04456	8.1
101.00832	1.8
101.02376	4.8
107.04939	4.0
108.08119	4.3
109.02895	4.6
112.07577	1.8
115.03947	3.8
116.98628	1.7
117.03382	12.1
119.01898	2.6
119.04932	3.7
127.03922	78.6
135.04437	17.7
136.07608	1.7
137.05995	8.1
138.06294	3.2
143.01929	4.1
145.02899	12.6
145.04965	62.4
147.04475	2.3
147.07695	2.3
152.07069	3.8
155.01933	2.1
156.03308	4.2
161.02884	2.7
163.03914	94.1
163.05965	16.7
164.04236	7.8
167.01855	2.1
168.03375	2.2
169.03481	5.0
171.05045	3.1
174.04402	3.4
180.08710	3.3
185.02991	4.6
186.04401	8.3
187.04510	3.6
189.05496	2.7
197.03018	5.5
198.11267	4.3
204.05453	4.6
207.06618	2.2
215.04010	3.9
227.03996	2.0
245.05109	13.2
275.06198	25.7
276.06458	2.7
287.06174	3.4
293.07159	1.9
305.07144	2.6
360.09335	3.5
360.12924	3.7
360.16470	7.3
365.09238	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.5
57.03423	9.2
61.02913	4.2
67.05064	2.1
69.03098	2.5
69.03439	41.4
71.04995	1.9
71.51984	2.0
71.52375	2.2
73.02906	5.9
76.10380	2.1
77.56654	2.1
80.24428	2.0
81.03412	5.1
85.02910	100.0
89.03911	8.9
97.02896	34.8
99.04478	10.7
101.02372	7.2
107.04938	2.2
109.02871	7.4
115.03925	4.7
117.03374	9.1
119.01895	5.6
127.03931	72.3
135.04457	14.3
137.05905	4.2
138.06274	3.7
145.02846	8.3
145.04958	61.5
145.06044	4.6
147.04379	1.9
155.01938	3.2
163.02568	4.8
163.03915	78.0
163.05980	15.3
164.04222	6.3
169.03441	8.3
173.02989	4.7
180.08685	3.5
185.03001	4.9
187.04543	6.4
197.02924	4.7
198.09616	2.9
215.03899	4.7
238.59605	2.1
245.05139	14.6
246.04907	2.9
246.49617	2.4
275.06146	20.0
276.06250	3.9
287.06134	3.0
305.07031	3.4
335.08084	4.4
352.40073	2.1
360.09396	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.4
57.03439	7.3
57.07076	100.0
67.05504	31.3
67.24993	2.5
69.07076	18.8
70.05856	13.2
70.06567	4.3
71.08630	74.5
75.04446	3.7
75.27637	2.5
76.14960	2.9
79.05499	4.8
81.07049	43.9
83.08608	26.9
85.10179	46.0
88.07629	2.5
88.37102	2.5
93.06966	2.8
94.47496	2.6
95.08607	64.7
95.84192	2.5
95.93536	2.7
97.10173	33.5
99.11729	3.4
102.11559	2.7
103.05510	2.9
105.03690	7.0
105.07032	2.9
106.08624	3.4
109.10159	38.5
111.11710	10.4
122.03669	4.1
123.11682	12.5
131.04935	6.7
137.05974	70.5
137.13229	5.1
151.14767	3.2
163.07509	4.4
180.24689	2.9
212.43089	2.8
231.08250	3.0
237.82635	2.4
249.25725	5.4
267.26712	18.6
285.27750	4.7
291.10184	4.6
296.29434	14.3
323.12683	3.8
341.30469	88.7
359.37137	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	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11745	0.6
60.52232	0.6
64.17487	0.7
69.03437	0.9
69.07067	3.8
69.41260	4.6
70.06548	0.9
70.59048	0.6
85.02906	4.0
86.09708	31.2
88.04012	1.4
97.02884	0.8
110.02436	1.0
121.02846	2.2
127.03937	0.9
132.10187	2.7
133.02824	2.2
135.04420	1.9
137.05960	1.2
145.05072	0.6
149.02341	100.0
150.02707	0.7
163.03903	63.3
167.03288	0.8
180.08672	1.5
181.04953	34.5
183.11287	2.4
198.12106	0.7
201.12347	4.2
212.09134	0.7
229.11803	7.8
247.12874	4.8
247.96638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01867	1.1
55.05504	3.0
56.96567	5.3
57.03433	1.2
61.02929	1.1
65.03947	1.4
67.05496	2.8
69.03413	2.9
69.34217	7.3
70.06607	1.4
70.98135	1.8
72.08160	42.6
79.05511	4.6
81.03392	0.9
81.07042	3.2
81.86182	0.9
82.31674	1.0
84.04506	31.1
84.96042	3.9
85.02917	5.7
86.09710	69.1
90.59170	1.0
91.05488	10.9
92.05766	1.0
95.04975	4.8
97.02876	2.8
98.97589	12.4
101.02381	0.9
101.07163	6.9
102.05550	1.3
103.05478	1.4
105.07028	1.8
107.04964	4.0
110.97585	2.2
116.98624	4.2
119.04965	10.5
122.03651	1.8
123.04441	1.2
127.03941	1.8
128.98610	0.9
129.03377	2.0
129.10210	0.9
130.05008	59.6
131.04959	3.0
133.06473	2.1
135.04417	2.2
137.05984	28.8
140.98538	1.4
145.02873	1.0
147.04422	15.4
147.07654	100.0
148.04784	1.1
149.05986	1.1
151.07553	2.6
158.99716	4.4
161.06023	5.5
163.03908	2.1
163.07510	1.6
165.05431	5.0
175.03964	6.6
177.00731	3.0
177.02158	1.1
177.05510	3.2
179.00150	2.7
179.07002	5.0
185.16504	23.8
189.05463	10.3
189.92259	1.0
193.01620	1.3
193.04968	2.4
197.01248	2.9
205.01718	1.4
207.06557	8.1
208.04886	1.7
213.04135	3.1
213.16000	11.4
219.01746	2.6
221.01166	2.9
222.04765	1.4
223.02765	1.8
225.07593	5.8
227.02406	1.0
230.99608	1.0
231.05309	1.1
233.01173	1.4
235.02715	1.5
237.02785	1.4
238.06027	3.7
238.56212	1.1
246.14507	8.2
249.00694	1.6
251.02208	1.1
251.05907	1.0
263.02188	1.5
267.89249	1.0
273.00583	1.1
281.03311	4.6
291.10175	1.3
299.04382	2.8
323.04498	2.3
323.12790	1.3
341.05371	4.4
341.13977	1.3
355.07031	7.6
359.09323	4.7
359.13232	9.7
359.23007	2.7
365.05432	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01869	7.5
55.05515	27.7
57.03436	14.3
57.07081	3.4
61.02916	8.8
64.89217	2.6
65.03946	6.8
67.05510	70.6
69.03433	84.4
69.07078	19.8
71.04983	10.1
71.41033	4.9
73.02922	8.1
73.90046	3.2
77.99043	2.3
79.05491	40.9
81.03420	35.4
81.07063	100.0
83.04982	53.1
83.08619	22.6
85.02899	24.3
85.06559	7.8
87.04468	7.4
91.05479	23.7
93.07047	72.9
93.07915	3.0
95.04980	8.8
95.08615	27.7
97.02898	5.9
97.06544	19.8
99.04448	12.3
99.08095	6.7
103.03970	4.9
105.07043	11.6
107.08601	40.9
109.06534	5.6
109.10191	6.1
111.03708	5.3
111.04453	65.3
111.08066	10.9
117.07019	14.6
119.08601	5.5
121.06532	6.9
121.10167	23.3
127.03939	3.1
129.05486	91.6
129.06961	4.1
131.04927	6.2
131.08569	13.4
133.09259	3.3
133.10101	14.7
135.08034	4.4
135.11682	19.5
137.05977	60.9
141.06956	3.4
147.06458	4.3
147.11687	2.9
149.09599	3.7
149.13268	64.7
151.07573	3.0
151.11150	3.1
159.11725	27.2
161.13301	5.0
163.07523	4.3
165.07584	2.7
177.11316	3.8
177.12717	21.9
179.14333	4.7
181.05002	6.7
195.13847	41.5
251.11354	6.5
261.16290	2.8
269.12341	9.7
269.81201	3.2
270.12527	9.8
271.12207	7.3
323.12604	4.9
323.18463	6.6
334.45267	2.5
339.09268	4.4
341.13535	5.5
341.19617	37.3
359.11627	3.5
359.22055	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
51.02942	0.6
55.05504	0.5
57.03434	0.7
61.02931	1.4
69.03423	3.1
69.18021	1.6
69.18437	3.9
69.26352	0.6
74.19376	0.7
79.05486	1.7
81.07078	1.2
85.02906	10.1
86.09702	2.7
91.05475	2.2
93.07034	4.6
95.05002	0.9
95.08599	0.8
97.02879	1.5
103.24551	0.5
105.07035	6.1
107.08597	28.8
109.02875	1.4
109.06479	1.0
109.10159	2.0
119.08601	4.5
121.10138	5.2
123.11649	0.8
125.33727	0.6
127.03905	2.0
131.04900	1.1
131.08569	1.0
133.10136	15.0
137.05974	5.4
137.09644	0.7
139.07523	1.4
143.08572	0.7
143.11758	1.0
145.04956	1.4
149.09573	3.5
151.07530	0.9
151.11186	6.8
161.09636	5.3
167.10681	10.8
179.10664	14.4
197.11740	100.0
341.15402	0.7
353.55557	0.7
359.17004	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	359.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97939	0.6
57.03416	1.0
59.04976	0.6
61.02917	1.9
61.28413	0.5
63.89674	0.6
65.75587	0.6
67.02938	0.5
67.05499	0.9
69.03427	4.8
70.06586	1.0
71.04967	1.2
71.13273	1.0
72.08145	3.8
73.02911	0.8
79.05494	1.0
81.03410	1.8
81.07071	1.0
84.08135	0.5
85.02905	14.9
86.09689	2.1
89.03918	8.6
91.03939	1.0
91.05463	3.2
93.07036	2.0
95.04959	0.7
95.08601	1.1
97.02885	4.1
98.10835	0.6
98.97574	0.8
99.04430	0.7
103.05490	0.9
105.07038	2.9
106.04147	1.1
107.08600	20.0
109.02866	2.1
109.06535	1.2
109.10182	3.5
117.03382	24.2
119.04917	0.8
119.08578	1.2
121.06467	1.6
123.08079	0.7
127.03921	3.0
131.04926	1.4
133.10144	9.0
134.03656	1.3
135.04381	1.2
135.11703	3.9
137.05988	7.9
137.09621	1.9
140.61334	0.6
145.02853	55.0
145.04933	3.8
147.04407	0.9
149.05984	8.4
151.11180	2.7
161.09612	3.2
163.03897	1.4
163.07602	0.7
167.07030	1.0
177.05478	100.0
178.05766	1.3
179.10681	11.0
186.05479	0.7
187.07593	0.6
197.11739	37.8
238.07858	1.7
280.58838	0.6
359.16846	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
57.03433	1.2
58.33629	0.6
61.02922	1.0
67.05491	0.9
69.03416	2.7
69.07066	0.7
70.78891	1.2
79.05483	1.1
81.03401	0.8
81.07040	1.7
81.44013	0.6
82.87232	0.6
84.72472	0.6
85.02377	0.7
85.02902	10.6
86.09698	5.0
91.05493	3.0
93.07038	5.5
93.87988	0.6
94.78922	0.6
95.04956	2.0
97.02893	2.6
104.10159	0.6
105.07029	4.9
107.08601	13.5
109.02882	1.1
109.06512	0.7
109.10168	1.4
119.08595	1.9
121.06550	1.2
123.04411	1.0
123.08087	0.5
127.03938	1.6
133.10132	16.9
135.11690	17.4
137.05994	3.6
137.09590	0.9
139.13963	0.6
143.08641	0.6
145.04974	1.5
151.11188	2.4
161.05946	0.6
161.09605	8.6
179.10677	28.9
183.11293	1.0
197.11737	100.0
200.13951	1.1
228.13498	1.7
358.30835	0.6
359.16449	0.8
368.95084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.6
55.32665	0.5
57.03420	0.7
61.02913	1.4
66.48084	0.6
67.81056	0.5
69.03439	3.9
70.06551	0.6
70.11262	2.1
71.04999	0.8
73.02922	1.0
79.05483	1.7
81.03417	1.1
81.07041	1.9
85.02913	8.0
86.09706	8.9
91.05489	3.5
93.07032	5.0
95.04961	0.7
95.08583	1.3
96.59727	0.5
97.02874	2.0
97.03501	0.5
99.04437	2.0
103.05431	0.6
105.07044	6.4
106.54494	0.7
107.04977	0.8
107.08598	27.8
109.06505	0.9
109.10156	1.1
117.07004	0.6
119.08594	4.8
121.06484	0.6
121.10143	5.2
121.29223	0.6
122.03623	0.6
123.08048	0.8
123.11697	1.6
127.03883	1.1
128.06207	0.8
131.04926	0.9
131.08562	0.7
133.06490	0.6
133.10126	16.3
137.05988	8.1
138.09184	0.6
139.07527	2.1
141.10211	0.6
143.08510	0.7
143.11809	1.7
145.04912	1.0
149.09596	4.1
151.07530	1.6
151.11182	6.5
155.11800	1.1
161.09628	4.8
167.07111	0.7
167.10678	13.4
179.07074	0.7
179.10677	14.9
183.11443	0.8
189.12317	1.3
197.11736	100.0
200.13902	3.1
209.15379	0.7
227.16406	1.6
228.13463	1.4
308.48605	0.6
341.15881	1.4
359.16953	12.1
365.27988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09488	0.3
55.05490	0.3
56.88741	0.3
57.07080	6.4
58.06588	0.4
59.28083	0.3
62.06062	0.5
70.06596	10.3
70.13505	1.0
71.08634	2.6
85.10170	1.2
88.07633	13.6
98.72968	0.3
101.64666	0.3
102.09181	3.8
106.08676	7.7
115.40823	0.3
117.28026	0.3
131.04921	0.3
137.05984	2.0
138.80293	0.3
139.02783	0.3
148.55185	0.3
159.66295	0.3
209.02768	0.3
229.24791	0.3
274.33545	0.3
296.33057	0.5
340.35770	5.5
358.36792	100.0
359.37173	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1338
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
52.87450	0.4
53.03966	0.4
54.27074	0.3
55.01883	0.5
55.05518	0.4
57.03430	0.6
61.02929	0.9
63.02375	0.6
67.05519	0.8
69.03432	2.2
70.06589	0.5
70.35903	0.8
70.36275	0.6
71.05003	0.4
72.08156	1.5
73.02922	0.6
73.53867	0.4
79.05492	0.9
81.03422	1.3
81.07080	0.6
83.04958	0.4
84.08148	0.5
85.02910	7.9
86.09712	1.8
87.04501	0.5
89.03920	6.9
91.03957	0.6
91.05501	1.8
93.07049	1.2
94.82159	0.3
95.04971	0.7
95.08607	0.8
97.02900	2.3
98.62395	0.3
99.04478	0.6
103.05476	0.6
105.07021	1.5
106.04166	0.4
107.04951	0.4
107.08603	10.9
109.02894	1.1
109.06516	1.0
109.10147	2.4
111.04495	0.6
113.01805	0.3
113.18829	0.4
117.03385	21.6
117.41496	0.3
119.08554	0.5
121.06502	0.9
122.03681	0.6
127.03911	1.2
129.10266	0.4
131.04918	1.2
133.10132	5.2
134.03636	1.4
135.04404	0.9
135.11728	2.6
137.05986	6.8
137.09665	1.7
145.02856	47.6
145.04930	2.4
149.04817	0.5
149.05995	8.4
151.11224	1.0
161.09613	1.6
177.05479	100.0
178.05809	1.0
179.10692	5.8
186.05502	0.9
197.11736	21.0
248.26103	0.3
249.15121	0.4
324.20300	0.3
359.12946	0.5
359.16846	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	357.2996
Annotation	3-oleoyl-sn-glycerol
Peak:m/z	Relative Intensity
50.87792	2.0
55.01845	2.9
55.05275	3.5
55.05511	45.4
56.05842	2.4
57.03425	6.6
57.06831	2.3
57.07074	25.0
67.05505	44.6
68.35700	1.9
69.07068	59.9
69.79788	1.7
70.06605	9.7
71.04974	2.6
71.08640	15.4
71.56557	3.2
75.04436	2.2
77.96407	2.0
79.05497	23.7
81.06596	2.9
81.07053	52.0
83.04966	2.0
83.08616	41.4
84.77125	1.9
85.06499	3.1
85.10168	8.1
88.07619	11.9
89.07960	2.3
93.07040	32.6
95.08608	52.7
97.06519	15.0
97.10165	31.8
102.09116	2.7
103.03901	3.5
105.07021	4.2
106.08645	4.1
107.08578	24.4
109.10167	27.2
111.08071	7.3
111.11699	6.0
121.10143	49.2
123.11687	12.3
125.09557	4.8
135.11694	40.4
137.05887	2.2
139.11107	4.5
149.13269	15.1
151.14833	8.9
153.12816	3.2
163.14798	9.3
165.16402	4.8
167.14410	2.9
177.16379	3.5
205.19496	2.6
239.00819	2.4
247.24205	46.8
262.97504	2.0
265.25266	52.7
283.26361	4.9
339.28943	45.7
339.34659	4.0
357.26437	18.1
357.30365	5.3
357.35535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05273	4.6
55.05514	59.4
56.96549	4.6
57.03417	8.4
57.07079	27.3
67.05182	5.0
67.05505	63.3
69.07069	83.2
70.06570	8.8
70.60934	10.6
71.04968	4.3
71.08616	13.1
77.77872	3.1
79.05091	2.9
79.05502	40.3
80.02666	2.7
81.06605	5.2
81.07063	81.5
83.08173	2.9
83.08621	53.9
85.10159	9.8
87.14001	2.9
88.07626	14.1
91.05453	10.7
93.07041	45.3
95.08610	75.9
97.06536	17.3
97.10159	35.5
98.20816	3.6
98.60339	2.8
99.08141	3.4
105.07004	9.7
106.08652	4.9
107.08587	43.3
109.10147	47.2
111.08071	9.7
111.11712	10.1
119.08544	7.7
121.10139	75.8
123.11696	23.1
125.09612	5.7
131.08545	7.5
133.10124	8.8
135.11691	50.8
137.13205	6.4
139.11205	4.4
149.13245	29.9
151.14723	6.9
161.13202	4.2
163.14798	13.8
165.16359	8.7
169.01401	3.4
173.13353	3.8
177.16425	6.4
191.17949	6.4
247.24226	49.0
265.25272	67.8
270.16403	2.7
283.26495	4.8
339.29019	58.2
339.33240	5.1
357.23950	6.7
357.28357	5.6
357.35519	100.0
357.39923	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	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13864	5.0
55.05512	62.6
55.35810	4.6
57.03425	13.1
57.07078	42.4
67.05508	81.8
69.07067	100.0
70.06599	4.8
71.08618	20.5
73.08669	4.3
79.05486	47.7
81.07054	98.6
83.08623	59.9
85.06553	8.5
85.10173	11.1
86.67402	4.3
88.07642	10.3
91.05497	9.1
93.07038	69.6
95.08606	92.0
97.06538	27.8
97.10158	45.4
105.07003	7.6
107.08575	36.2
109.10155	56.2
111.08073	12.1
111.11726	13.0
119.08570	5.3
121.10149	86.9
123.11713	18.6
135.11691	61.1
137.09743	4.4
137.13258	9.5
139.11189	7.0
149.09483	5.4
149.13293	23.5
151.14828	5.9
153.12769	5.3
163.14838	15.3
165.16382	9.8
177.16380	9.1
191.17961	6.4
206.71202	4.6
247.24214	80.1
265.25284	82.2
283.26004	5.4
339.28958	77.7
357.35669	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03931	2.9
55.01864	3.5
55.05273	4.7
55.05513	61.1
57.03423	11.1
57.06834	3.5
57.07079	42.6
67.05508	73.5
69.07069	100.0
69.31808	22.0
71.04995	6.8
71.08643	22.0
75.04465	2.9
76.89323	2.9
79.05499	43.9
79.39368	2.6
81.06593	5.4
81.07060	90.6
83.04968	4.1
83.08157	5.3
83.08622	74.8
83.60670	3.0
85.06522	4.0
85.10178	14.3
87.04465	11.1
91.05474	6.5
93.06487	4.5
93.07047	58.0
95.08612	91.6
97.06523	25.9
97.10174	40.9
99.08134	4.8
102.62260	2.7
105.07059	5.2
107.08597	43.0
109.10149	48.7
109.53832	3.0
111.08109	14.1
111.11746	18.6
115.07565	3.4
115.32531	3.2
119.08569	4.9
121.10147	90.2
123.11720	16.4
125.09627	5.9
131.08517	3.3
135.11700	72.3
135.12714	5.4
137.13237	7.9
139.11197	7.2
149.13264	33.3
151.14807	9.1
153.12805	6.6
163.14818	17.4
165.16383	11.2
167.14322	5.9
177.16347	8.4
181.15858	3.9
191.17952	6.5
209.19107	4.3
247.24213	83.1
265.25281	96.3
339.28946	80.9
357.26047	15.4
357.30017	7.7
357.35501	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	357.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01857	5.7
55.05513	24.7
57.03436	10.4
57.07071	2.1
58.49590	1.5
61.02918	9.0
65.03952	2.4
67.05506	26.9
69.03430	53.2
69.07074	20.6
69.70525	11.0
71.01346	1.8
71.04983	7.4
73.02925	4.6
79.05495	23.4
81.03416	64.7
81.07059	41.0
82.15282	1.8
83.04984	43.1
83.08625	14.9
84.62134	1.5
85.02909	18.9
85.06561	3.2
90.09502	1.6
91.05482	28.0
93.03471	1.9
93.07043	23.9
94.81708	1.9
95.04979	14.1
95.08608	97.5
97.02874	3.1
97.06524	4.9
97.10161	2.4
99.04456	11.0
99.08126	3.8
105.07040	24.9
105.61436	1.6
107.04939	7.7
107.08598	33.7
109.06529	6.4
109.10141	11.0
111.03737	3.1
111.04449	51.3
111.08061	6.1
111.11705	4.8
117.07035	3.9
119.08582	19.3
121.06510	3.3
121.10149	71.7
123.08064	3.5
123.11713	28.5
129.05482	49.7
129.06897	8.4
131.08549	8.2
132.75377	1.8
133.10132	19.7
135.08052	2.6
135.11719	14.6
137.09656	4.0
137.13284	2.6
145.10112	4.7
147.06471	2.9
147.07994	2.8
147.11681	22.4
148.12387	1.9
149.06064	2.2
149.09566	3.1
149.13248	7.2
157.10081	10.4
159.11658	5.5
161.13211	3.3
165.07610	3.0
165.09102	1.9
165.12756	7.7
171.11650	2.4
173.13237	3.9
175.11186	10.2
175.14832	3.5
177.16386	100.0
183.13742	2.0
189.16379	2.8
193.12256	26.6
201.16425	2.1
205.15845	4.1
207.17635	2.7
211.13289	22.3
217.15863	2.7
219.17505	2.1
219.25110	1.9
229.14310	2.2
277.18045	1.9
303.16156	2.8
303.19662	3.4
321.20547	4.7
339.18042	21.3
339.21667	3.8
357.15076	3.5
357.18982	6.3
357.22784	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	356.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39590	32.5
55.56052	32.2
60.78881	35.0
71.56579	40.1
81.07053	68.4
85.02908	39.1
91.05505	75.9
93.07067	69.2
95.08624	71.7
105.50325	30.3
107.08571	56.7
109.10145	49.1
119.08588	69.1
123.97410	32.9
127.65630	29.7
131.08572	40.6
137.06029	68.6
139.50052	35.0
139.75845	33.3
146.07314	49.5
151.07529	69.1
164.04172	53.6
177.09149	50.8
178.09464	56.8
205.96941	34.2
211.13214	40.5
269.12411	63.7
271.31091	40.6
285.10678	61.3
291.09680	37.0
306.12067	87.5
324.13437	37.1
356.15720	95.3
356.26385	100.0
373.08524	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96531	0.4
64.39391	0.4
69.39839	2.8
79.05488	0.7
81.07033	0.5
97.06567	0.4
98.12485	0.4
98.97637	0.5
114.79959	0.4
117.03436	0.5
129.06999	0.4
132.30551	0.4
137.06032	0.8
145.02834	0.5
151.07458	0.5
163.07423	0.5
167.07048	0.4
177.05508	1.3
193.29559	0.4
204.06703	0.5
357.15277	5.0
357.18839	100.0
358.19281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
68.78386	0.3
69.42692	1.1
69.43118	1.7
74.56390	0.4
80.25816	0.3
93.07000	0.3
98.20718	0.3
103.94528	0.3
104.93733	0.3
137.05998	0.6
145.02835	0.4
158.32936	0.3
177.05409	0.5
204.06885	0.5
254.71432	0.4
277.31863	0.3
294.08771	0.4
316.02371	0.3
321.23798	0.4
357.18839	100.0
358.19147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.6
55.01858	5.9
55.05510	29.8
57.03444	14.3
61.02914	7.4
65.03940	3.9
67.05508	34.2
69.03433	73.8
69.07073	21.9
70.99259	2.4
70.99596	5.7
71.01359	3.9
71.04987	11.9
73.02888	3.0
79.05489	26.5
81.03419	76.5
81.07061	45.2
83.04983	54.6
83.08630	19.8
85.02903	19.0
85.06530	2.5
86.09694	3.0
87.04525	2.5
91.04965	4.8
91.05484	38.8
93.03426	3.5
93.07049	33.4
95.04969	26.2
95.08611	99.8
97.02885	6.9
97.06535	10.4
97.10167	5.1
99.04459	12.8
99.08082	7.1
105.07030	34.8
107.04954	10.8
107.08591	40.9
109.06534	8.0
109.10179	9.1
111.03719	4.9
111.04448	75.4
111.08078	6.4
111.11736	3.4
119.08592	26.1
121.10143	71.5
123.08121	3.7
123.11699	28.3
129.05484	71.0
129.07019	8.4
131.08559	8.5
131.58852	3.3
133.06476	3.7
133.10124	22.3
135.11716	13.0
137.05978	4.1
137.09663	3.3
145.02908	2.9
145.10132	7.6
147.06516	5.2
147.07994	3.4
147.11700	34.0
149.09653	7.5
149.13261	7.0
151.11093	4.2
157.10126	12.6
159.11690	7.6
161.13206	3.5
165.12738	12.5
167.07082	2.7
173.13297	5.2
175.11188	16.4
175.14833	5.8
177.05475	6.0
177.16389	100.0
187.14815	4.8
193.12257	43.3
196.65041	3.0
201.16365	3.9
211.13284	24.9
217.15964	3.2
231.17355	2.8
285.18494	3.1
321.16898	3.3
321.20758	4.7
339.18069	34.5
339.21738	6.3
357.15134	3.4
357.19116	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	356.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01867	1.9
55.05503	5.6
56.96558	2.3
57.03437	2.6
57.07071	1.8
62.06092	100.0
63.14384	1.0
63.44661	1.1
67.05509	12.7
69.03414	1.3
69.07066	7.4
69.41487	2.5
69.41887	6.4
70.02945	1.3
70.17054	0.9
71.04987	1.9
71.08623	3.8
73.02898	1.1
75.04491	1.0
79.05496	8.8
81.03423	2.3
81.07056	11.5
83.04980	2.7
83.08617	2.6
85.02905	1.8
85.10186	1.8
91.05482	6.3
93.07047	10.9
95.04977	3.5
95.08607	12.2
97.06536	2.5
97.10206	1.2
98.06067	1.0
98.20770	1.4
99.04476	0.9
99.08109	2.1
105.07057	6.9
107.08601	5.3
109.06526	1.0
109.10166	4.4
111.08066	1.2
112.07461	1.2
113.09655	2.3
114.44131	1.1
119.08591	4.7
121.10168	6.9
123.11710	1.0
124.11295	1.2
127.11269	1.3
129.07025	1.3
130.08585	1.4
131.08569	3.3
133.10118	3.8
135.08022	0.9
135.11726	1.8
137.05939	0.9
137.13246	1.0
141.12778	5.1
145.10115	2.2
147.11678	3.1
149.09575	1.1
149.13246	1.6
151.07504	1.1
151.11191	3.3
159.11713	1.2
161.09615	1.0
161.13229	2.5
163.11076	1.8
165.12740	2.7
171.11682	1.1
175.14819	2.1
177.09096	1.3
177.16353	0.9
196.13403	1.8
200.16476	1.2
208.16994	1.2
210.14885	4.6
214.14378	2.1
217.19440	1.3
224.16394	1.1
226.18054	8.9
228.15932	6.9
229.14418	1.4
241.19470	1.4
245.45610	1.1
246.17009	3.7
259.20651	3.8
277.21643	5.8
285.10910	2.0
295.22729	2.8
306.12079	2.4
320.25842	18.3
321.24292	2.0
331.15759	1.1
338.26904	47.6
339.25244	1.9
356.15939	1.9
356.27997	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	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88884	1.2
55.01868	1.6
55.05516	5.6
56.96561	2.3
57.03425	3.2
57.07063	1.2
61.02933	1.6
62.06094	100.0
67.05510	13.0
69.07069	6.8
69.71349	1.1
69.96249	3.8
70.66020	1.0
71.04980	4.1
71.08618	4.5
72.45790	1.1
74.17483	1.1
78.96882	1.3
79.05497	10.8
81.03396	3.4
81.07057	11.2
83.04945	1.8
83.08626	4.6
85.02908	2.0
85.10205	1.7
86.64709	1.1
91.05479	6.0
93.07058	10.1
95.04957	3.3
95.08613	10.2
97.06538	2.7
97.10184	1.3
98.06050	1.7
98.20850	1.6
99.08099	2.6
105.07036	7.3
107.08576	5.5
109.06590	1.4
109.10137	3.8
110.77816	1.1
113.09624	2.0
119.08582	5.1
121.10151	6.8
123.11749	1.3
128.94881	1.2
129.06979	2.2
131.08580	2.9
133.10138	2.8
135.11707	2.8
137.05956	2.3
138.06358	1.9
138.12724	1.4
139.11232	1.5
141.12724	4.9
143.08731	1.3
145.10086	3.5
147.08000	1.6
147.11707	3.1
149.09660	2.1
149.13275	1.3
151.07581	2.2
151.11198	3.1
164.04233	1.8
165.12772	2.8
178.09543	1.2
196.13348	2.1
200.16570	1.4
210.14883	4.9
214.14343	3.5
226.17984	6.6
228.15909	5.5
229.14468	2.1
238.88983	1.1
241.19608	1.5
246.17056	5.2
259.20538	3.4
266.08963	1.2
277.21710	7.0
285.10571	1.9
295.22791	2.0
306.12015	3.4
320.25912	14.7
321.24258	1.5
338.14630	2.7
338.26892	43.8
339.25540	1.3
356.15619	3.8
356.23755	1.2
356.27896	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	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.44405	1.7
53.03942	3.7
55.01880	1.9
55.05517	30.5
57.03439	11.3
57.03665	2.3
57.07076	12.9
65.03919	2.7
67.05509	85.6
69.07072	40.7
71.04977	2.9
71.08611	7.2
74.51250	1.6
79.05497	26.8
81.07060	100.0
82.39036	1.9
83.04954	3.1
83.08154	2.2
83.08616	29.2
85.06516	4.1
85.10170	4.4
85.20802	1.6
91.05484	19.1
93.07048	32.5
95.08611	90.2
97.06532	13.8
97.10172	22.6
99.08103	5.1
103.03934	2.9
105.06448	2.1
105.07045	16.9
107.08598	22.4
109.06534	1.7
109.10164	49.8
111.08062	5.2
111.11746	8.8
113.09651	2.5
117.07068	1.8
119.08603	17.5
121.06488	2.6
121.10151	29.2
123.11707	28.1
125.09614	2.2
125.13224	4.1
131.08562	2.2
133.10152	18.7
135.11707	19.7
137.05994	9.0
137.13225	11.5
146.07272	2.9
147.11700	12.4
149.05916	3.0
149.13248	16.9
151.07533	6.2
151.14842	5.8
155.14249	3.1
161.13248	15.6
163.03908	2.0
163.14844	15.2
165.16370	8.3
165.47615	2.0
175.14861	14.8
177.05539	2.4
177.09142	6.9
177.16396	4.5
179.14249	2.8
179.17896	9.7
181.15825	2.0
189.16455	5.8
193.15891	2.9
201.09053	3.7
202.74518	1.8
203.17906	2.3
217.19608	1.9
245.22655	61.6
247.07407	2.1
254.09370	3.0
263.23706	69.1
265.25241	2.6
274.09637	2.2
274.36795	2.0
277.12653	2.2
284.10452	5.2
285.11194	3.3
305.11780	10.2
306.12494	3.5
337.14154	2.4
337.27393	42.1
355.15253	8.2
355.28223	9.8
355.33920	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03942	2.2
55.01863	3.0
55.05512	25.0
57.03427	8.2
57.07069	14.1
64.88162	1.7
65.03924	3.0
67.05505	82.4
69.07065	39.3
70.23844	6.7
71.04972	2.9
71.08625	4.5
79.05490	26.9
81.07055	100.0
83.04950	2.2
83.08610	27.5
85.06517	3.4
85.10166	2.6
91.05478	17.8
93.07048	30.8
95.04945	3.4
95.08604	82.0
97.06503	8.5
97.10159	14.8
99.08080	4.4
105.07014	15.0
107.08581	18.1
109.10155	46.2
111.08083	4.3
111.11719	5.2
113.09586	2.4
119.08592	12.2
121.06501	2.7
121.10136	28.8
123.11720	23.0
125.13252	3.0
129.05499	3.0
133.10152	19.6
135.11691	15.7
137.05974	5.9
137.09644	2.2
137.13213	10.5
139.11151	2.3
147.11703	13.6
149.13266	10.7
151.07503	3.9
151.14810	5.6
161.13245	12.6
163.03917	2.4
163.14819	15.0
165.12619	2.0
165.16388	6.4
175.14816	10.4
177.05502	2.2
177.09068	4.5
179.17883	5.1
189.16357	5.9
233.48999	1.7
237.08655	1.8
245.22633	56.1
263.23703	62.2
270.08850	2.1
284.10385	2.3
285.11035	2.9
287.45715	1.9
291.10120	2.8
305.11700	7.7
316.93121	1.7
326.66898	1.7
329.13855	1.8
337.14331	4.1
337.27307	40.5
355.15424	3.6
355.28235	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	1-Linoleoyl-(2S)-glycerol
Peak:m/z	Relative Intensity
53.03941	2.7
55.05511	27.7
57.03436	6.7
57.07075	12.3
57.21011	1.7
67.05508	80.0
69.06689	1.8
69.07070	34.5
71.05009	2.9
71.06157	3.0
71.08642	8.3
79.05494	26.8
81.07058	100.0
83.04996	2.0
83.08625	26.5
85.06544	3.8
85.10174	4.4
91.05475	20.0
93.07046	33.7
95.08611	89.9
97.06542	8.2
97.10170	17.8
97.99108	1.7
99.08090	3.6
105.07058	14.2
107.08599	25.1
109.06520	3.2
109.10160	49.6
111.08099	6.0
111.11721	8.2
113.09702	2.3
115.05481	1.6
119.08576	13.5
121.06523	6.1
121.10143	32.3
123.11706	28.3
125.09630	3.1
125.13215	2.5
131.04881	1.8
131.08432	1.7
133.10129	21.5
135.11687	19.1
136.77431	2.0
137.05992	15.7
137.09552	2.4
137.13255	12.1
139.11200	1.6
141.12778	2.5
145.06490	3.3
146.07275	7.4
146.52486	1.7
147.11714	14.2
149.06032	5.5
149.13277	15.9
151.07539	9.8
151.11220	1.9
151.14853	8.3
155.14377	2.0
161.13249	15.8
162.06769	2.5
163.14835	14.9
165.05417	1.8
165.12737	1.9
165.16454	8.1
173.92554	1.6
175.14809	12.7
177.05511	2.5
177.09117	13.5
179.07094	2.5
179.14383	3.0
179.17928	7.4
189.09096	2.7
189.16405	6.8
201.09132	5.9
203.17998	2.3
241.08632	4.4
245.22650	64.7
254.09406	2.4
262.09650	2.3
263.10684	3.2
263.23706	65.5
265.25311	2.8
270.08704	2.0
281.24963	2.8
284.10410	6.8
285.11133	8.3
291.10071	5.3
295.13351	3.0
305.11768	17.6
306.12564	4.2
310.12222	2.0
322.11700	1.9
323.12836	4.8
325.14481	2.1
337.14316	9.2
337.27408	33.2
355.15378	16.1
355.28494	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	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03921	2.0
53.80605	1.4
54.74956	1.6
55.05267	2.4
55.05512	31.8
57.03445	8.9
57.06871	1.2
57.07074	12.6
65.03920	1.9
67.05506	74.0
69.03455	1.3
69.07068	34.2
69.30431	3.5
69.30835	11.6
71.04990	3.8
71.08633	8.1
77.03838	1.5
79.05495	24.7
81.07057	100.0
83.04981	1.8
83.08625	27.4
85.06547	2.7
85.10168	2.2
91.05482	23.0
93.05389	1.6
93.07043	36.0
95.08608	87.1
97.06522	7.2
97.10164	19.7
99.08075	3.4
105.07029	16.7
107.08607	26.6
109.06504	1.9
109.10166	48.9
109.10934	2.4
111.08096	4.6
111.11710	6.5
111.89310	1.5
113.09646	2.4
117.07003	1.8
119.08588	19.2
121.06487	3.8
121.10149	30.2
123.08000	2.1
123.11714	20.4
125.09610	2.9
125.13274	2.4
129.05548	1.8
131.08556	4.3
133.10146	22.4
135.11702	18.1
137.03647	1.5
137.05971	10.9
137.09747	1.6
137.13260	9.9
139.11159	2.9
141.12724	3.8
143.08525	2.6
145.06575	2.2
145.10083	5.0
145.76312	1.6
146.07278	3.5
147.11694	15.0
149.05997	6.0
149.13243	15.4
151.07552	6.5
151.11153	1.7
151.14810	7.0
155.14293	2.0
157.10085	2.3
159.07999	1.5
159.11676	3.1
161.13248	15.4
163.14812	15.5
165.16418	9.5
171.11700	2.0
173.13321	2.5
175.07504	1.7
175.14854	13.2
177.05505	2.5
177.09114	9.4
177.16411	2.2
179.17938	4.2
185.13300	1.7
189.09032	3.2
189.16386	6.5
199.14745	1.9
201.09126	4.7
203.18047	2.6
221.64833	1.5
225.16243	1.9
241.08643	1.6
245.22662	54.6
254.09322	2.0
262.09943	2.3
263.10599	1.5
263.23712	55.5
265.25150	1.7
270.08835	1.7
274.09958	1.6
277.12418	1.7
284.10464	4.6
285.11124	5.3
290.09320	2.0
291.10074	3.6
294.39578	1.8
295.13120	2.3
297.11304	2.6
305.11758	11.1
306.12399	1.8
309.25583	1.6
309.83960	1.5
337.14178	4.6
337.27405	37.1
355.15430	8.3
355.25687	15.4
356.35135	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05495	0.7
65.03946	0.6
65.90555	0.6
67.05518	1.1
68.18488	0.5
69.03449	2.7
69.07056	0.7
70.06575	0.7
71.04997	0.6
71.55505	0.5
72.08142	2.3
75.68443	0.5
79.05497	3.9
81.03408	1.3
81.07068	1.0
83.04966	1.0
84.08174	0.6
85.02897	1.7
85.21484	0.4
86.09695	0.9
89.03906	1.1
91.05437	3.1
93.07040	1.0
95.04945	0.9
97.02888	1.2
97.06511	1.0
98.97579	2.0
103.05453	0.9
105.03358	0.5
105.07034	1.0
107.04951	1.9
107.08611	0.9
108.01546	0.6
109.02905	1.3
109.06532	0.6
111.04433	0.9
117.03352	1.3
117.07003	0.7
119.04918	1.7
119.08579	1.0
121.02911	0.7
121.06479	2.0
125.02366	0.6
127.03913	0.5
131.04904	0.9
135.04398	3.4
135.08041	0.6
136.07561	0.7
137.05984	5.8
139.03899	1.3
144.99445	0.5
145.02847	2.2
145.06464	0.7
146.07278	1.7
147.04416	2.7
147.08026	0.6
149.06042	2.5
149.07045	0.6
151.07544	3.3
155.68539	0.5
161.02362	0.7
161.07150	0.6
163.03917	15.9
163.07526	2.0
165.05515	1.1
175.03885	1.3
177.00632	0.6
177.05487	2.1
177.09138	3.3
179.07011	0.6
181.04977	0.5
187.07494	0.8
189.05521	1.0
193.04950	2.1
193.08334	1.7
201.09024	1.5
207.07643	1.5
221.09145	1.1
226.06204	0.7
241.08607	0.7
254.09378	0.6
261.09064	0.7
262.09866	0.8
264.08069	0.8
269.08020	0.9
277.12094	0.8
284.10452	2.0
285.11227	1.0
290.09360	0.7
291.10147	0.8
295.13132	1.1
305.11728	4.1
306.12497	1.1
307.09750	0.6
323.12698	1.2
325.14453	0.7
337.14310	2.9
341.05121	0.6
355.13596	100.0
356.13916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.4
57.03431	3.0
57.07066	6.0
67.05511	42.3
69.07067	18.8
71.04971	3.2
71.08620	2.9
79.05499	14.0
81.07065	52.6
83.08617	14.9
85.10192	3.2
87.41930	1.8
91.05494	11.6
93.07042	15.1
95.05006	2.2
95.08609	38.8
97.06531	5.3
97.10164	8.7
98.20696	2.9
99.08128	2.6
99.62037	2.1
105.07025	8.3
107.08586	8.5
109.10166	21.6
111.08091	3.5
117.07015	3.0
119.08593	7.4
121.06541	5.4
121.10159	16.5
123.11710	11.8
131.04976	2.4
133.10126	10.0
135.11690	6.1
137.05974	16.5
137.13295	2.9
143.83264	2.0
146.07265	9.2
147.04352	2.1
147.11711	5.1
149.05983	7.9
149.13268	7.4
151.07541	10.9
151.14864	4.2
159.08134	2.1
161.13246	6.8
163.03946	3.4
163.14853	4.0
165.05486	3.5
165.16391	4.3
175.07594	3.3
175.14850	4.7
177.05540	6.3
177.09119	16.3
177.16336	1.9
179.07074	3.3
179.17961	2.8
187.07587	3.1
188.08363	2.1
189.03683	2.1
189.09096	2.3
189.16397	2.6
193.15884	2.2
201.09132	5.5
203.18021	3.4
240.07715	2.4
241.08574	4.7
245.09731	2.2
245.22652	29.1
247.07707	4.0
254.09364	3.8
262.09821	3.9
263.10745	2.6
263.23743	32.0
269.08136	3.7
270.09012	3.5
274.09949	4.9
284.10440	11.9
285.11224	8.8
290.09189	2.4
291.10168	4.8
295.13312	3.0
297.11359	3.0
305.11847	20.8
306.12442	5.4
323.12833	7.8
325.14371	3.4
337.14349	13.6
337.27362	16.0
355.15491	20.3
355.28229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3369
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05519	8.8
56.05026	1.1
57.05812	1.8
57.06833	1.1
57.07078	12.9
58.02957	1.4
58.06320	1.0
58.06605	17.0
60.04512	3.5
65.03950	1.0
67.05509	6.4
69.07075	16.2
70.02944	3.4
70.06597	9.8
71.05011	1.6
71.08637	6.2
71.55110	1.2
72.04504	2.3
73.64185	0.8
74.06083	2.0
79.05482	3.1
81.07049	12.2
82.06572	1.9
83.04962	1.2
83.08616	10.5
84.08163	6.1
85.06554	1.4
85.10175	3.0
86.06070	4.1
87.06818	1.4
88.07631	0.8
91.05484	1.6
93.07034	2.4
95.04962	0.9
95.08057	1.5
95.08608	14.5
97.06539	1.4
97.10165	6.6
98.09715	1.3
99.08109	1.1
107.08574	1.7
108.08209	1.0
109.10161	7.1
111.11713	3.9
112.11246	0.9
121.06521	1.4
121.10101	1.4
123.08071	1.2
123.11700	4.9
127.69321	1.0
135.11691	0.9
137.05988	3.8
137.09399	0.8
137.13242	1.6
140.14342	3.7
141.39932	1.0
145.06526	0.9
146.07260	2.7
149.05945	1.4
151.07565	4.6
154.72766	0.8
175.14886	0.9
177.05499	1.7
177.09074	3.8
197.43419	0.9
201.09068	1.9
208.16878	1.2
212.40439	0.8
227.06708	0.9
240.19614	3.4
241.08615	0.9
246.10347	1.0
249.09700	0.8
261.09293	0.8
268.30090	1.0
284.10385	1.9
285.11185	1.5
290.09268	1.1
294.31519	3.3
305.11816	5.5
306.12601	1.5
306.31412	1.6
307.30002	2.0
308.33179	3.1
326.34158	4.2
336.32611	12.0
337.14322	2.3
337.30930	1.7
354.30322	3.9
354.33676	100.0
355.15311	4.6
355.33878	1.6
373.11829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.264
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
52.58644	0.9
54.26366	0.8
55.01881	2.0
55.05523	6.6
57.03445	6.8
58.60498	0.8
59.05007	1.1
60.04512	0.9
61.37087	0.9
62.06093	100.0
63.01116	0.8
65.68445	0.8
67.05505	14.2
69.07075	6.7
71.04991	4.6
79.05502	17.5
80.57446	0.8
81.03423	2.1
81.07064	15.5
82.06571	1.8
83.04979	2.8
83.08614	3.0
85.06543	1.9
89.82004	0.8
91.05488	11.7
93.07048	17.7
95.04974	2.7
95.08617	9.6
96.08136	1.3
97.06532	7.0
97.10141	1.5
98.06058	4.8
98.21534	2.1
98.98513	0.8
99.08097	1.1
105.07037	9.6
107.04965	1.3
107.08591	10.3
109.06504	1.2
109.10165	4.9
111.08093	4.2
112.07584	0.9
112.74587	1.0
117.07024	4.2
119.08580	8.0
121.10152	7.4
123.08106	1.1
124.11238	2.2
125.09654	2.5
129.07005	1.8
131.08569	7.5
133.10144	4.4
135.08105	1.6
135.11700	2.0
137.06012	0.9
137.73553	0.8
138.12787	5.4
139.11160	1.4
143.08620	2.5
145.07770	0.8
145.10117	6.5
147.11696	3.2
149.09625	1.6
155.08559	1.2
157.10118	2.3
159.11708	3.7
161.13295	1.9
163.03842	1.2
168.54140	1.0
170.11725	1.1
171.11653	2.5
173.13234	4.2
175.14818	1.4
177.12802	1.1
182.15372	1.7
183.37125	1.0
184.13324	1.6
185.13333	2.8
187.14859	1.9
189.12762	1.4
196.13367	2.5
198.15045	1.1
200.16461	1.4
203.12753	1.2
205.15932	1.3
210.14906	14.3
212.54338	0.9
214.14331	2.2
215.17902	1.1
226.18039	1.6
228.15944	18.4
229.19498	1.1
239.17969	2.7
248.20177	1.5
257.18997	2.6
259.06226	1.0
262.21658	1.3
266.21118	6.6
275.20090	10.2
280.22684	2.7
293.21152	1.1
294.24313	1.5
318.24332	13.5
319.22635	1.2
336.25342	91.1
337.23395	2.2
354.26419	29.1
355.15463	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	3.5
53.44641	2.1
55.05510	14.5
57.03419	3.9
57.07067	5.7
60.50578	2.3
67.05508	73.7
69.07059	10.5
71.08626	2.6
71.25152	2.8
72.61441	2.2
75.01031	2.0
79.05077	3.3
79.05493	44.6
81.06595	4.2
81.07056	83.7
83.08619	6.4
85.06569	2.4
91.05472	20.9
93.07043	67.8
95.04970	4.2
95.08607	69.9
97.06491	4.6
97.10191	3.3
105.07045	15.6
107.08596	39.1
109.10150	26.5
111.08038	2.9
113.09696	2.8
117.06997	7.2
119.08580	15.8
121.10152	33.1
123.11722	11.8
125.49214	2.2
131.08565	19.9
133.10173	11.2
135.11694	25.9
137.13248	6.8
145.10126	15.5
147.11697	10.0
149.13271	25.3
151.11285	2.8
151.14803	4.8
159.11659	16.7
161.13243	10.1
163.14838	22.3
173.13287	19.5
177.16371	9.1
185.01961	2.9
187.14903	12.1
191.14258	3.0
233.22636	8.3
243.21092	36.3
261.22144	100.0
279.23083	3.1
321.63885	2.3
335.25797	11.3
353.26913	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	354.1185
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
54.57576	0.4
57.03417	0.9
60.14869	0.4
61.02935	0.6
67.05502	1.1
69.03420	1.6
69.85595	1.2
69.86007	0.9
73.02917	0.8
81.03405	0.7
84.04518	0.6
85.02908	5.9
87.04500	0.7
91.05480	2.4
94.06569	3.3
95.04955	1.4
97.02888	1.0
105.03387	1.0
109.02911	0.6
117.05773	0.5
118.06548	6.4
119.04935	0.7
122.06046	4.5
123.04463	0.6
127.03898	0.5
131.03604	0.5
134.06021	1.0
134.24605	0.4
145.05075	0.7
146.06027	18.6
147.04355	0.6
147.06834	0.7
148.07594	0.7
150.05544	1.4
162.05489	1.2
162.97241	0.3
163.03911	1.6
164.07085	7.1
174.05518	100.0
175.06143	0.7
176.07091	0.9
189.05411	0.6
192.06564	51.0
200.14555	0.4
224.09207	1.8
300.73376	0.4
322.09271	0.4
336.10992	1.6
354.11859	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
53.15113	0.4
55.01871	3.6
55.58432	0.5
57.03441	3.6
63.80184	0.6
65.03940	1.5
66.83965	0.5
67.05502	5.6
69.03421	1.0
69.07066	0.8
69.28337	4.2
71.01357	1.2
77.03917	0.5
79.05484	1.0
81.03453	0.8
84.04516	2.5
85.02907	56.2
91.05489	3.0
93.05802	0.6
93.07063	0.8
95.01337	0.7
95.04972	16.4
97.02867	0.6
98.21538	1.0
102.05555	1.2
103.03951	1.0
103.05486	0.8
105.04471	0.8
106.06569	1.5
107.04952	0.6
108.04481	1.3
113.02364	1.8
114.05470	0.6
118.06547	9.1
119.04949	1.5
120.04466	1.2
121.10153	1.0
123.04434	11.3
130.04999	0.9
130.06549	5.5
131.03400	3.4
132.04478	4.0
133.05234	2.6
133.10233	0.6
134.06035	4.4
135.04469	0.6
135.06999	0.5
136.03906	0.8
138.05484	1.1
146.06018	11.1
147.04369	1.6
147.06815	0.8
148.03935	0.6
148.07600	2.3
151.06389	0.7
151.07565	1.5
152.07094	1.0
154.52803	0.6
158.04457	0.6
162.05521	2.2
162.14636	0.6
163.03848	1.1
164.07071	13.3
164.15164	0.6
173.13304	0.6
174.05493	5.5
174.13583	0.7
175.03923	2.0
178.08649	4.4
179.06973	0.6
181.04884	0.6
184.07578	1.0
189.05458	3.6
191.14330	1.7
192.06572	9.3
192.14638	3.6
193.04945	0.7
194.08130	1.1
197.78806	0.5
204.06816	0.5
206.08113	4.6
212.06970	0.6
222.57542	0.5
224.09177	22.8
230.08145	1.1
236.09059	0.5
258.07626	2.0
262.07330	0.6
264.08585	1.1
276.08777	1.0
294.09793	0.8
304.08142	2.2
308.11215	2.3
322.09241	3.3
336.10828	4.4
354.11838	100.0
355.12277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	53.4
57.03437	16.9
59.04993	7.1
67.05508	93.9
68.22188	4.1
69.03431	7.3
69.07057	11.7
69.93559	14.3
71.05000	8.9
71.46861	3.1
79.05494	22.7
80.90529	3.9
81.03439	5.9
81.07068	32.0
83.04979	4.0
83.08624	23.1
85.02911	23.1
85.06558	4.7
87.04451	12.8
91.05479	9.8
93.07029	7.5
95.04969	3.8
95.08603	13.5
97.02913	6.0
97.06558	3.6
97.10170	37.4
98.97585	4.1
105.07020	8.1
105.61791	3.7
107.08647	20.8
108.08907	3.5
109.10163	100.0
111.08011	3.4
119.08585	12.3
121.10150	4.1
125.09628	44.8
127.01557	3.3
133.10179	17.3
134.10483	17.8
135.04398	4.5
137.09590	14.5
143.10698	8.7
145.02890	3.4
145.10049	3.6
153.12860	4.5
155.10728	21.5
163.03902	12.9
163.11148	7.9
173.11736	64.0
191.14305	4.7
192.14627	6.9
209.11703	4.8
229.14357	96.7
319.17551	4.1
353.66452	5.6
354.16202	4.9
355.08142	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	354.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	10.6
55.35902	5.0
56.96539	6.3
59.98347	4.5
67.05522	26.9
69.07090	10.7
69.64708	27.8
70.06591	11.0
72.92085	4.6
75.17329	4.6
79.05486	6.0
81.07043	20.9
83.08611	8.5
88.07605	18.4
91.05448	5.5
93.07042	10.0
95.08585	15.3
98.20792	9.6
106.08645	7.5
109.10152	9.8
117.07016	5.7
121.10183	6.6
137.05974	9.8
151.07568	8.6
163.03902	21.2
177.09070	13.2
229.07397	11.3
236.03342	5.6
241.08521	6.0
262.22440	5.6
284.10272	5.3
305.11536	10.1
323.12665	6.8
331.17703	5.4
336.16306	6.9
337.14294	5.2
339.79514	5.1
354.17410	16.3
354.25937	5.0
354.33676	100.0
355.15115	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.05511	16.5
57.03431	6.9
57.07067	5.4
65.03954	2.4
67.05506	94.2
68.67559	3.1
69.07061	15.2
70.80336	2.7
70.80667	4.4
71.04967	3.6
79.05498	42.6
81.07060	93.6
83.08601	9.7
85.06561	4.1
91.05486	21.7
93.07043	63.7
95.04929	2.8
95.08609	69.1
97.06521	3.4
97.10165	4.9
99.08078	3.9
105.07045	20.4
107.08598	47.8
109.10152	39.2
117.06995	8.4
119.08587	16.4
121.10149	40.2
123.11727	19.6
125.09782	2.5
131.08569	23.9
133.10196	11.4
135.11691	32.3
137.13274	8.6
145.10109	15.9
147.11658	12.0
149.13283	22.8
151.14790	4.2
158.62602	2.3
159.11711	13.4
161.13243	7.9
163.14801	10.7
171.72151	2.6
173.13275	16.7
175.14874	3.0
177.16353	3.3
187.14803	10.3
201.16393	5.0
233.22594	5.0
243.21143	21.9
254.63812	2.5
261.22147	100.0
279.23083	4.6
317.24667	2.7
335.25833	8.1
346.22385	2.7
353.26978	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.82091	3.3
53.03948	4.5
55.05506	10.9
57.03430	9.2
57.07074	6.5
57.61674	3.2
66.92322	3.4
67.05191	5.8
67.05513	90.2
69.07065	13.1
69.95029	6.7
69.95417	7.7
71.02780	3.0
73.43925	3.0
79.05495	38.4
81.07063	97.3
83.08619	10.2
91.05496	22.5
92.80396	3.1
93.07050	53.4
95.08617	76.0
98.31610	3.3
105.07025	16.4
107.08609	38.3
109.10160	42.3
112.47677	3.5
117.07028	9.8
119.08575	16.0
121.10151	30.3
123.11729	20.7
131.08575	18.6
133.10124	13.4
135.11679	24.8
137.13248	7.9
145.10100	12.4
147.11711	8.5
149.13225	16.1
151.14775	4.7
159.11728	12.1
161.13242	9.1
163.14830	12.4
173.13219	14.3
175.14850	4.1
177.16393	5.5
187.14862	5.7
233.22716	3.5
243.21138	29.7
261.22144	100.0
261.24881	6.2
279.23224	4.1
319.50354	3.5
333.76639	4.7
335.25812	17.0
353.26901	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
53.97912	0.7
55.05512	1.9
57.03442	1.9
57.07063	1.9
58.06608	0.7
67.05495	2.7
69.03087	1.4
69.03430	16.7
69.07069	12.4
69.86868	2.8
71.01028	1.0
71.04991	2.0
73.02911	1.7
73.51386	0.7
79.05494	3.4
81.03413	3.6
81.07076	4.5
83.04990	4.4
83.08606	1.4
85.02905	11.3
85.06554	2.8
87.04476	0.8
91.05467	4.3
93.07040	4.8
95.04978	1.6
95.08606	8.1
97.02889	2.5
97.06527	1.6
98.20858	1.4
98.97588	1.7
99.04471	1.1
99.08110	1.1
105.07034	7.1
107.04969	1.1
107.08591	12.1
109.02863	1.6
109.06527	3.8
109.10184	0.9
111.08073	4.6
113.09651	1.0
117.07025	1.1
119.04961	0.7
119.08575	6.5
121.06524	2.4
121.10152	8.2
123.08083	3.8
125.09627	2.4
127.03938	3.6
131.08571	10.3
133.10138	7.9
135.04443	1.7
135.08049	12.6
135.11674	3.8
137.13272	1.2
143.08611	1.8
145.04881	0.9
145.10136	3.5
147.08041	1.1
147.11678	4.3
149.09636	8.6
149.13254	2.3
151.03923	0.9
153.09171	1.0
158.10875	3.8
161.09595	1.0
163.11168	1.6
163.14815	4.9
167.10747	1.1
173.13275	17.4
173.14827	1.3
173.15338	1.0
175.14880	4.2
191.05376	1.2
191.14308	100.0
203.14288	0.9
209.15344	6.0
210.34367	0.8
233.06082	0.8
249.02789	0.9
257.15552	0.9
293.11981	0.8
353.10110	1.7
353.15347	1.4
353.19623	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	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86385	0.9
52.89166	0.9
55.01861	2.3
55.05506	3.2
57.03429	4.3
61.02920	1.7
65.03932	1.3
67.05492	2.4
67.30512	1.0
69.03433	20.1
69.07072	14.4
69.30783	4.8
69.31204	3.9
71.04994	3.4
71.40002	1.1
72.22485	1.0
73.02913	2.2
79.05489	4.7
81.03417	3.7
81.07062	5.5
83.04991	4.1
83.08630	1.6
84.04527	1.4
85.02908	26.9
85.06591	1.0
86.09702	1.9
87.04438	1.2
87.91809	1.0
91.05479	12.0
93.07054	10.0
95.04993	6.2
95.08602	6.5
97.02900	5.7
97.06521	1.6
98.21525	2.4
98.97598	2.7
103.03945	1.7
103.05468	1.3
105.07034	7.5
107.04990	1.8
107.08598	18.7
107.23532	0.9
109.02861	1.3
109.06522	2.0
109.10178	1.7
111.08073	3.6
117.07008	1.9
118.06557	1.4
119.04920	1.2
119.08587	7.7
121.06509	2.7
121.10152	22.1
123.04425	3.2
123.08074	3.5
127.03909	4.3
130.06497	1.3
131.08566	9.3
133.10127	9.7
134.06032	2.0
135.08046	15.4
135.11700	5.1
143.08528	1.9
145.02905	1.0
145.04947	1.6
145.10132	3.1
146.06015	2.6
147.04411	1.9
147.11697	4.3
149.09645	7.7
149.13248	3.1
158.10947	3.0
163.11037	1.3
163.14839	13.6
164.07076	4.2
173.13272	17.7
174.05530	1.6
174.13805	1.2
175.03870	1.3
175.14813	1.5
189.05473	2.1
191.06993	1.5
191.14311	100.0
192.06610	2.8
206.08162	1.2
209.15373	4.4
219.07726	1.1
224.09183	6.9
233.15367	1.2
272.06784	1.1
322.09235	1.1
323.61511	1.2
353.13528	5.5
353.19812	17.3
354.11816	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	2.2
55.05514	12.8
57.03429	5.3
57.07072	4.5
63.68616	1.2
65.03930	1.8
67.05508	82.7
69.07067	9.4
70.94061	2.4
71.04995	1.9
75.04464	1.3
79.05492	33.3
81.07059	79.2
83.08615	6.8
85.06524	3.6
91.05489	17.8
93.07050	43.0
95.08612	67.9
97.06515	3.8
97.10169	3.1
99.08092	3.0
105.07021	10.7
107.08598	28.6
109.10159	34.8
111.08056	1.7
116.15435	1.3
117.07030	6.2
119.08588	11.7
121.09328	2.3
121.10151	25.7
121.73337	1.3
123.08041	1.6
123.11717	17.4
128.37509	1.3
131.08572	18.0
133.10120	12.0
135.11694	24.4
137.09618	2.3
137.13246	7.4
139.11198	1.5
145.10130	13.5
147.11693	8.7
149.13274	19.1
151.11215	1.7
151.14822	3.9
159.11726	13.3
161.13286	10.1
163.14806	13.1
165.12851	1.7
165.16408	1.2
173.13272	12.9
175.14807	2.4
177.16397	4.9
187.14845	8.7
201.16325	2.4
205.15854	2.6
233.22701	4.3
243.21107	26.9
261.22150	100.0
279.23294	6.9
335.25827	15.8
353.26898	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03952	4.8
53.41679	0.5
55.01854	0.7
55.05511	1.0
56.96552	0.7
57.03431	0.8
65.03945	4.1
67.05505	1.5
69.07068	0.9
71.53419	0.6
71.53841	0.7
77.03927	1.4
79.05497	11.0
81.03417	1.1
81.07047	1.8
86.47825	0.4
89.03921	1.1
91.05486	5.4
93.03439	0.9
93.07040	4.0
95.04958	4.7
95.08617	1.2
97.06544	1.5
99.04389	0.5
102.04691	1.0
103.05470	100.0
105.03413	0.9
105.04514	2.3
105.07033	21.9
107.04962	1.2
107.08614	1.2
109.10146	1.6
115.05511	0.7
115.51650	0.6
117.03406	1.0
119.04913	2.6
119.08601	1.0
121.06508	5.0
121.10142	0.8
129.03366	1.8
129.06976	0.6
131.04933	15.4
131.08557	0.8
133.02837	1.2
135.04387	3.2
141.06992	1.9
144.05672	0.6
145.02849	11.8
145.04012	0.6
145.10156	1.0
147.04366	2.5
147.11676	0.6
149.04794	1.0
149.05991	18.8
152.06227	2.3
153.07022	2.5
155.08540	0.8
157.10123	1.2
159.04425	23.7
161.02295	1.2
161.05965	0.6
163.03893	6.7
163.07542	1.0
163.11230	0.7
165.07011	12.8
165.08339	0.9
166.07785	13.2
167.08554	2.0
171.11705	0.6
173.02368	1.6
175.03899	1.2
176.04677	0.7
176.06174	0.7
177.05493	7.9
177.06937	1.1
178.07765	7.1
179.08568	3.4
180.09367	1.0
181.06604	1.4
181.10106	8.5
189.05495	18.9
189.07024	4.3
190.07761	6.9
191.03439	8.3
191.07098	0.6
191.08559	14.5
192.09201	0.8
193.06464	0.6
193.10170	1.2
194.07266	6.2
195.08051	2.2
199.14827	0.6
201.01852	0.8
202.07816	2.2
203.03432	0.7
203.08583	1.5
205.04961	47.9
206.07343	1.1
207.08090	0.9
208.08841	1.0
209.09616	15.3
217.04962	3.2
218.07285	2.2
219.08063	11.4
220.08723	0.8
221.09673	2.5
222.06810	1.3
223.07610	1.2
231.08099	0.9
235.07533	0.7
236.08403	0.9
237.09099	17.2
237.11417	1.0
246.99149	0.6
247.07530	9.8
248.08264	0.8
249.09143	3.2
251.10733	0.6
265.08578	16.5
275.07028	7.6
277.08621	1.7
279.10107	2.9
289.08630	0.8
291.10159	0.7
293.08084	17.5
297.11221	0.8
303.06470	4.0
307.09656	5.0
317.08325	0.9
321.07538	7.2
321.10840	0.8
325.10742	3.4
325.14496	1.2
335.09125	4.3
353.10223	2.8
353.14114	0.7
353.25043	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	353.0842
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
51.92588	2.8
67.07761	2.8
69.03420	2.9
70.45303	8.3
85.02917	8.3
95.52441	2.7
127.03958	5.4
143.01947	4.2
147.07613	3.2
155.01950	3.0
161.02951	4.3
179.33818	2.5
213.35625	2.5
233.05186	3.3
235.11568	2.9
245.05080	4.4
309.99612	2.7
353.08478	100.0
359.00104	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	353.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17605	1.2
70.67515	1.8
70.67858	1.6
82.99837	8.0
84.98553	1.0
88.51072	1.1
96.27734	1.0
101.00890	53.4
103.00632	2.7
105.02181	1.1
113.00896	4.2
115.02458	4.8
119.01932	37.9
119.03714	1.7
121.01686	3.1
127.02426	5.2
129.04088	1.1
131.01927	4.1
133.03484	3.8
137.02975	1.4
139.02409	10.9
143.01906	26.4
145.01671	2.4
145.03473	12.4
145.41879	1.2
147.03267	4.2
149.01201	1.5
155.01840	2.0
157.03473	50.0
159.03096	1.6
161.02986	13.0
163.02759	3.4
163.04530	8.8
169.03517	3.1
170.60445	1.2
171.01332	1.2
173.01195	3.1
173.02963	2.1
175.04555	20.7
177.04082	1.2
181.05595	3.7
185.03009	1.7
187.04572	4.4
189.02486	1.6
189.17706	1.2
191.02206	5.9
205.05574	28.2
223.06644	100.0
224.06949	2.4
225.06525	3.6
231.03638	2.9
233.03278	20.0
237.08252	1.4
241.07712	14.6
243.07426	1.5
245.05048	3.2
246.08269	1.3
247.06607	2.8
249.08173	10.1
251.04497	1.6
265.05377	0.9
265.07709	40.8
277.07706	59.7
279.05856	1.7
293.07303	3.5
303.05801	2.3
321.06839	25.2
335.08209	18.1
335.11850	1.5
353.09293	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1017
Annotation	Savinin
Peak:m/z	Relative Intensity
53.03938	1.7
55.01861	1.1
55.05489	1.5
55.23055	1.0
56.96544	1.4
65.03921	1.6
67.05501	2.7
69.03409	1.0
69.07062	1.6
70.47233	3.3
79.05492	6.3
81.03408	2.1
81.07051	2.8
83.04983	1.4
89.03902	1.2
91.05478	12.4
93.03416	1.9
93.07034	1.5
95.04981	1.6
95.08634	1.3
97.06516	4.7
98.97582	1.7
103.05454	8.2
105.03380	2.2
105.07007	1.3
107.04971	2.1
107.08595	2.2
109.10132	1.2
111.04449	1.9
111.08102	1.0
115.05457	4.7
117.03400	1.8
117.07023	4.9
119.04932	11.3
119.08612	1.6
121.02869	1.0
121.10175	1.0
123.04416	1.6
128.06207	4.1
129.06998	25.6
129.66029	1.0
130.04155	2.3
131.04921	15.8
131.08536	1.5
133.02876	1.3
133.10208	1.4
135.04411	100.0
143.04942	5.1
145.02818	2.7
145.06496	9.3
147.04396	21.9
147.11591	1.4
149.02341	2.0
149.05997	2.1
151.07523	3.8
155.04956	4.9
157.06479	12.7
159.04404	7.3
159.11707	1.3
160.05199	12.2
161.05983	11.0
163.03886	10.3
167.07031	5.7
167.20956	0.9
172.05186	1.2
173.05968	16.6
175.03908	32.3
175.07539	3.3
179.03391	8.7
179.06953	1.2
183.04443	1.6
185.05986	16.7
187.03949	9.1
187.07559	13.4
189.06975	2.0
190.07800	3.6
191.06998	3.7
191.08563	12.2
198.09068	1.1
199.07558	2.9
201.09044	1.1
202.07753	2.7
203.07021	62.6
205.06458	1.4
213.05484	4.4
218.07336	2.9
219.08052	21.7
223.10143	1.0
229.06334	1.7
231.06488	25.0
231.08543	1.7
233.09601	1.7
234.06737	1.1
235.07474	1.1
247.07553	10.9
249.09146	4.5
259.07510	8.6
261.09103	1.8
262.06500	1.2
265.08398	1.1
275.06961	7.9
277.08560	12.9
287.07159	2.0
289.08673	2.8
292.04395	0.9
293.08072	1.3
293.11652	1.2
303.06619	1.7
305.08063	10.7
306.08691	2.0
307.09613	4.4
317.08170	6.5
321.07483	3.0
321.11337	3.2
325.10748	1.5
335.09137	22.7
353.10162	35.3
353.14001	4.5
353.19229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.9
55.05508	6.4
57.03428	5.9
67.05487	9.7
69.07054	4.4
71.99930	4.1
79.05505	10.4
79.90533	3.5
81.03420	100.0
81.07050	11.3
83.04964	7.6
83.08615	21.2
85.02916	5.2
91.05480	14.6
93.07021	8.2
95.04990	29.9
95.08606	4.8
100.69247	3.7
105.07027	9.7
107.04978	6.5
111.08070	7.2
119.08565	8.7
121.10155	7.6
127.24688	3.5
129.06972	6.4
131.08609	6.2
139.65779	4.9
147.11700	5.7
149.09592	8.0
157.10130	10.9
175.11230	13.4
193.12253	97.3
198.99838	3.9
211.13341	9.1
228.99484	4.2
267.15921	56.2
272.77771	3.8
285.17004	57.9
300.31531	4.8
303.05984	4.0
353.10162	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	352.2844
Annotation	Melophlin R
Peak:m/z	Relative Intensity
53.03945	2.0
55.05509	14.3
56.05030	3.1
57.07057	2.4
58.02954	7.1
58.06584	3.8
60.04535	1.9
67.05176	3.2
67.05502	36.1
69.07063	18.3
69.85351	4.9
69.85766	4.0
70.06592	47.2
79.05489	17.1
81.05801	1.8
81.07060	28.4
82.06580	15.7
83.08622	8.6
84.04507	7.8
84.08135	2.9
85.02518	1.8
85.06492	2.3
91.05481	9.7
93.07041	17.7
94.06559	8.8
95.04974	2.0
95.08598	21.1
96.08132	14.5
97.10152	2.2
98.21493	2.0
105.07018	7.5
107.08598	11.5
108.08108	4.9
108.08817	1.9
109.10161	10.7
109.19274	1.8
110.09668	2.9
114.12778	4.8
117.07041	2.8
119.08571	8.2
121.10144	6.4
123.11658	3.3
124.03204	1.7
126.12794	36.8
131.08562	2.8
133.10115	3.1
135.11661	4.4
137.13326	2.1
138.12791	3.8
143.08708	2.3
147.11665	2.8
149.13251	3.8
152.14301	3.3
154.12251	12.3
163.11165	2.3
166.15924	26.4
173.13370	2.2
174.25372	2.2
180.13860	7.6
212.16440	30.8
220.16988	10.9
240.15926	6.4
252.19606	43.5
293.24759	2.1
303.23117	2.1
330.60507	1.7
334.27451	7.9
352.28464	100.0
353.29449	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	351.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93816	7.6
55.05507	24.5
59.19575	6.3
67.05505	41.6
69.03425	11.2
69.07072	44.0
70.52719	13.4
70.53072	16.5
71.04999	9.2
79.05494	29.4
81.07061	54.5
83.08611	15.8
83.76427	6.9
90.90994	6.8
91.05483	45.1
93.07051	79.9
95.04978	26.1
95.08613	64.6
97.06520	19.9
97.10194	8.1
105.07035	92.8
105.16720	7.1
106.07397	6.8
107.08608	52.9
108.22248	6.4
109.06486	10.3
109.10161	60.4
116.67629	6.6
117.07021	22.5
119.08582	100.0
121.06520	13.0
121.10143	52.4
123.11715	18.5
129.06990	9.6
130.70833	7.3
131.08589	37.4
133.10136	51.8
133.84946	8.4
135.08022	9.5
135.11671	16.9
137.09572	10.3
142.07826	7.6
143.08575	23.7
145.10120	41.0
146.54669	6.4
147.08073	10.0
147.11690	24.8
149.09622	21.1
156.09186	8.5
157.10109	42.4
159.11670	24.5
161.09628	65.0
161.13303	19.9
164.67429	7.4
169.10147	21.6
171.11700	29.0
173.13298	19.6
175.11198	9.8
175.14828	23.1
177.16414	25.0
183.11719	20.1
185.13313	13.1
187.14882	13.1
189.16383	15.7
195.27969	8.6
197.13261	11.7
199.14769	10.8
201.16501	12.4
209.13191	17.4
237.16386	7.9
241.19450	14.0
255.17593	7.0
277.18726	7.0
351.26639	48.0
351.34250	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03943	3.9
53.44448	1.3
55.01868	2.6
55.05515	20.6
55.75904	1.6
57.03440	8.7
57.07080	2.4
58.54210	1.5
67.05509	46.1
69.07081	14.1
69.33144	3.2
69.33551	12.1
71.04986	2.2
71.08620	1.7
73.53550	1.8
75.04465	2.4
77.83121	1.3
79.05495	66.5
81.06590	3.3
81.07058	58.1
83.04977	2.4
83.08607	7.4
84.41646	1.4
85.02924	4.6
85.06544	3.8
91.05484	48.6
93.07046	100.0
94.67043	1.5
95.01380	1.5
95.04990	4.6
95.08613	38.0
97.06570	2.5
97.10150	2.6
98.21481	2.9
99.08086	4.8
100.66719	2.0
105.07030	58.4
107.08599	61.1
108.40506	1.7
109.06508	3.9
109.10160	15.8
111.08073	2.9
113.09658	2.6
117.07011	15.3
118.31647	1.5
119.08588	48.5
121.10150	46.3
123.08087	2.8
123.11740	4.1
125.09664	2.3
128.06192	1.8
129.01761	2.0
129.06993	8.6
131.08560	20.9
133.10135	43.8
135.08127	1.8
135.11699	50.5
137.09645	2.1
139.11174	1.6
142.07913	1.7
143.08621	8.6
145.10127	26.8
147.11674	40.0
149.09651	3.8
149.13269	26.8
157.10149	10.2
159.11710	19.5
161.13257	30.0
163.11206	5.3
163.14835	8.1
165.12746	3.1
167.17667	1.5
171.11717	10.8
173.13211	10.1
175.11301	1.5
175.14841	14.4
176.83057	1.5
177.12781	4.0
185.13252	12.9
187.14847	2.8
189.12891	2.1
190.09348	1.5
191.14267	2.2
199.14825	6.2
213.16412	5.4
217.15797	1.8
217.19511	3.7
221.15393	2.0
230.96541	2.1
231.17503	2.5
231.21089	8.2
241.19496	39.9
259.20584	98.8
277.21622	21.6
299.99704	1.7
316.27585	1.7
320.18759	1.7
333.24359	10.5
351.25375	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94350	2.6
53.00301	2.7
53.03944	5.1
53.41488	2.6
54.37273	2.6
55.01875	4.4
55.05511	30.8
56.96576	15.2
57.03441	23.2
57.07061	6.3
61.02900	4.8
65.03960	2.9
67.05508	78.8
68.99798	34.4
69.03421	13.3
69.07072	25.3
69.87134	15.4
70.78268	2.4
71.01356	42.1
71.08638	49.0
73.02895	11.4
79.05079	5.2
79.05495	62.6
81.03417	12.7
81.07056	66.3
83.01301	3.3
83.04961	8.0
83.08619	14.5
85.02907	100.0
85.06550	6.3
87.00822	8.4
91.05476	47.0
91.76247	2.7
93.06498	5.3
93.07048	63.7
95.01327	52.6
95.04967	12.9
95.08611	38.6
97.02898	20.2
97.06522	7.9
97.10172	10.2
99.08094	34.3
101.02380	6.7
103.03935	15.4
103.05457	6.8
105.07039	41.8
107.04961	7.0
107.08588	44.1
109.06499	7.3
109.10168	27.6
111.00824	26.8
111.08084	6.1
113.02361	11.8
113.09685	3.4
115.05437	3.7
117.06997	12.8
117.37987	2.8
119.08575	35.4
120.08078	9.1
121.06458	4.9
121.09379	3.8
121.10138	21.1
123.08118	5.3
123.11745	6.1
125.09601	7.0
129.01842	69.4
129.07024	5.8
131.01250	3.9
131.03398	11.2
131.08575	17.1
133.10127	32.6
135.06767	6.2
135.11710	21.5
139.00262	27.5
141.01830	92.4
143.08560	8.2
145.10152	20.5
147.02876	8.1
147.11665	27.1
149.09683	4.3
149.13280	19.1
151.11174	22.0
155.08583	5.7
157.01317	22.1
157.10118	8.1
159.02881	11.8
159.11696	13.4
161.13274	26.7
163.11183	18.0
163.14772	8.1
165.12788	7.0
167.08574	14.8
171.11703	14.4
173.13222	13.2
175.14859	8.9
177.02251	8.7
177.03915	13.6
177.12811	4.2
179.14316	18.7
181.77737	3.0
185.13290	11.2
187.14803	5.3
189.11220	5.1
189.12852	3.9
189.16432	3.4
191.14299	4.2
193.12379	3.4
195.08119	2.8
199.14824	7.6
199.57622	2.9
201.16487	4.8
217.39857	3.1
227.01875	7.0
231.17418	3.6
231.21004	4.4
233.05988	6.1
236.10655	7.9
237.07436	5.1
241.19490	17.2
256.81421	3.0
259.20590	33.9
264.12469	3.3
269.03214	3.4
277.21640	45.0
287.03943	11.6
308.60724	3.4
316.60648	9.0
322.09924	4.1
330.56720	5.8
330.60464	99.6
331.10657	21.7
333.25412	2.9
338.03220	2.9
351.21414	12.5
351.25409	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.4
55.01868	6.8
55.05516	33.6
57.03440	24.1
57.07065	3.5
61.02917	5.3
65.03946	2.9
66.19458	2.1
67.05508	56.6
69.03429	5.9
69.07070	53.8
69.81875	10.1
70.21688	1.8
71.04990	4.3
71.08636	26.0
73.02919	4.0
77.03933	2.9
79.05495	57.9
81.03426	5.2
81.06597	4.3
81.07057	68.1
81.07530	3.6
83.05000	9.5
83.08619	26.5
85.02929	2.4
85.06580	2.5
91.03956	3.8
91.05486	43.2
93.07045	75.4
93.92624	2.0
95.04984	10.0
95.08611	47.7
97.02867	6.4
97.06529	13.6
97.10164	8.5
98.20833	3.5
99.08094	18.6
105.07028	37.7
107.04959	4.4
107.08589	37.3
109.06517	4.0
109.10146	17.2
111.08080	7.5
112.52951	2.0
117.07015	7.0
119.08598	36.3
121.06518	2.3
121.10149	34.1
123.08065	3.9
123.11681	6.4
125.09641	6.7
129.07043	5.9
131.08546	11.9
133.03465	6.7
133.10147	28.0
135.08063	3.1
135.11700	32.6
137.09590	4.6
139.11185	2.2
143.01859	3.8
143.08559	6.5
145.10170	13.2
147.11673	32.9
148.04665	2.3
149.09641	3.1
149.13292	18.7
151.11206	13.5
153.89946	1.8
157.10152	6.0
159.11708	12.9
161.13249	21.8
163.11182	7.1
163.14851	7.8
165.12749	5.1
171.11671	8.3
173.13324	6.5
175.14769	4.1
177.12796	4.1
179.14330	28.9
185.13248	6.0
187.04440	2.3
189.12665	4.6
199.14813	5.0
203.14279	2.4
213.16217	3.1
221.15427	2.4
231.21027	4.8
235.17061	2.8
241.19524	14.4
243.72099	2.1
259.20612	35.7
270.15601	6.1
277.21616	46.5
277.24417	4.0
303.21597	3.4
321.22919	11.1
333.24179	6.5
351.18311	7.8
351.25299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.11148	0.5
55.05498	0.4
57.03441	0.5
67.05499	1.2
68.99767	1.6
69.03408	0.7
70.32188	1.6
71.01348	0.6
79.05471	0.7
81.07057	0.8
85.02908	12.8
87.00791	0.6
91.05443	0.6
91.30479	0.5
93.06998	0.6
95.01317	2.4
97.02895	0.6
98.20874	0.5
103.39469	0.5
105.07023	1.0
107.08524	0.5
111.00784	1.2
113.02303	0.5
119.08568	0.7
120.14944	0.5
129.01843	4.1
133.10094	0.5
135.04407	1.5
139.00276	1.7
141.01845	4.1
147.02905	1.2
157.01332	1.2
159.02925	0.6
174.96938	0.6
175.02242	0.6
182.47736	0.5
207.07985	0.5
243.85806	0.5
277.21631	0.6
316.24780	0.5
333.19696	0.5
336.00214	0.5
351.21411	100.0
352.21628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Ambliolide
Peak:m/z	Relative Intensity
53.03944	9.8
55.01871	7.6
55.02077	1.4
55.05515	23.7
57.03432	12.8
57.07076	7.3
58.00261	1.5
65.03906	1.3
67.05508	52.0
69.03425	1.6
69.07067	30.3
70.07900	1.4
71.04977	2.3
71.08629	6.9
79.05496	32.9
81.03423	42.2
81.07057	51.5
83.04987	14.3
83.08629	8.8
85.02872	1.2
85.06539	3.8
85.10151	1.4
91.05484	19.5
93.06480	2.3
93.07046	33.1
94.38976	1.2
95.04974	34.7
95.08608	23.6
97.06544	3.8
97.10171	7.2
99.08096	7.3
105.07037	26.5
107.04977	2.0
107.08604	23.9
109.06518	20.2
109.10159	18.8
111.08091	3.8
117.07017	5.4
119.08578	18.3
121.06501	4.9
121.10145	9.8
123.08057	4.6
123.11697	6.3
125.09621	7.2
129.06932	1.8
131.08575	5.2
133.10126	16.5
135.08072	6.8
135.11708	9.6
137.09641	3.5
137.13283	2.9
143.08543	3.5
145.10126	4.2
147.11690	12.5
149.09601	2.4
149.13303	6.8
151.11180	33.8
152.51657	1.2
153.09064	3.0
153.12766	1.7
155.10661	1.4
157.10091	3.8
159.11702	2.7
161.09616	1.7
161.13283	11.5
163.11243	3.8
163.14825	5.0
165.12755	38.4
171.10233	1.4
171.11659	3.5
173.13266	3.8
175.11281	2.1
175.14828	4.5
177.12794	3.5
179.14302	5.7
185.13319	2.2
189.12749	2.6
191.14307	2.5
193.12215	2.2
207.13786	2.4
229.09544	1.7
231.21092	8.6
241.19533	5.3
249.22180	4.7
259.20578	10.9
261.22046	2.4
277.21631	67.6
289.21628	18.5
333.24170	7.4
351.25323	100.0
352.25809	1.9
370.21469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72196	0.4
52.85009	0.4
53.03956	0.8
65.03944	5.0
67.05509	30.3
69.03436	0.6
69.07048	1.1
69.70297	2.6
70.06589	0.5
72.03337	0.4
79.05483	0.5
80.05016	0.9
81.03410	0.6
81.07046	0.7
82.06583	0.8
91.05478	0.5
92.05007	2.7
93.05788	0.6
94.06577	3.1
95.01381	0.4
95.04979	9.5
95.08633	0.5
97.02855	0.6
98.97619	0.6
100.20560	0.4
105.07026	0.7
107.08572	0.6
108.04503	1.3
109.02875	0.4
109.05307	0.5
110.06053	1.9
112.07586	0.6
119.08541	0.7
120.04465	1.7
121.05250	1.2
121.68816	0.5
122.06034	9.4
124.07597	0.4
138.05511	41.9
140.07079	9.3
143.08490	0.5
147.04390	1.6
148.03966	1.1
150.05515	100.0
166.05006	19.3
168.06544	0.8
175.93370	0.4
176.03429	5.2
180.06639	0.5
189.01880	1.0
189.05553	0.7
189.15073	0.4
192.10210	0.9
194.04504	3.5
197.25894	0.4
216.10272	0.8
224.58252	0.8
226.08676	1.0
244.09767	1.4
254.08116	0.6
259.13184	1.1
271.10907	0.6
272.09189	1.2
279.46014	0.4
287.10321	0.4
289.11856	0.6
290.10248	0.5
305.60837	0.6
315.09720	5.7
332.18335	0.4
333.10757	1.6
351.12006	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01875	1.3
55.05501	1.5
57.03428	3.7
61.02931	1.5
65.03943	2.5
69.03088	1.5
69.03433	20.0
69.65688	2.3
69.66100	4.5
71.01364	1.2
71.04988	3.0
79.05501	3.3
81.03421	8.3
83.04977	3.2
85.02906	11.6
89.03926	1.3
91.05482	17.1
94.16069	0.9
95.04968	1.8
97.02898	8.5
97.99532	0.9
98.92641	0.9
99.04455	4.3
101.12674	1.0
103.03973	1.1
103.05454	5.0
105.03434	1.9
105.07046	2.8
109.02875	3.2
111.04434	1.9
113.02436	1.5
115.05463	3.9
117.07035	3.5
118.04166	1.2
119.04951	20.8
127.03921	6.4
128.06229	2.1
129.03384	13.7
129.05508	1.2
129.07037	3.6
131.04922	7.0
133.02867	1.5
133.06476	3.3
135.04384	1.2
139.03886	1.5
141.06969	1.6
143.04900	1.3
143.08597	1.2
145.02855	10.8
145.06470	3.5
146.03638	1.2
147.04424	28.6
149.06073	1.3
153.06995	1.8
155.04939	2.4
157.04984	1.0
157.06458	2.6
159.04419	7.2
161.05962	7.3
165.05511	2.9
169.06454	1.0
171.04424	4.4
171.08031	1.8
173.02335	1.4
173.05986	5.2
175.03926	14.6
177.05473	11.8
179.07111	4.8
179.08417	1.1
181.06517	2.3
183.04462	2.0
185.05992	2.9
187.03940	3.5
189.05476	100.0
191.03365	1.1
191.07019	1.4
193.04936	2.6
197.06120	1.1
199.03893	2.0
199.07542	2.8
201.05458	5.3
203.03497	1.9
203.07063	3.2
205.04947	4.6
207.06506	9.8
207.08084	1.1
209.06049	2.0
213.05510	2.6
215.07021	2.7
217.04973	3.5
225.05511	1.3
227.07054	4.4
229.04913	1.4
231.06541	3.5
235.07603	1.4
238.84618	1.1
241.05156	1.2
243.06525	2.4
245.08185	2.1
249.07657	1.4
255.06563	3.2
261.07620	1.9
263.19440	1.0
273.07523	4.6
283.06140	1.0
291.08844	1.4
301.07306	4.8
315.08591	1.4
319.08069	13.2
331.13977	1.2
333.09604	4.9
351.10800	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95082	2.2
57.70107	2.1
60.61634	2.2
69.03427	3.2
70.03481	6.5
70.03871	5.6
85.02895	3.0
112.15485	2.1
119.01894	3.4
121.31866	2.3
177.02724	2.4
194.57213	3.0
223.06615	4.0
299.01413	2.7
351.06860	100.0
351.12555	49.8
365.00256	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46783	1.1
69.47182	3.6
74.81431	0.7
82.99844	3.2
85.01391	2.6
91.05515	0.8
92.11482	0.6
96.97198	0.6
101.00887	16.8
103.00655	1.8
103.02445	2.8
113.00877	1.9
115.02431	1.7
117.03983	3.5
119.01923	13.7
121.01659	1.8
127.02424	7.7
129.00339	2.0
131.01895	1.9
133.03453	1.3
134.08327	0.7
135.05032	1.3
139.02428	2.2
143.01904	13.7
145.01642	1.7
145.03481	19.2
147.01431	5.6
155.01906	4.9
157.03470	6.9
159.38042	0.7
161.02966	15.4
163.02664	0.8
163.04584	3.5
165.02448	0.8
169.03474	1.0
170.99883	1.3
171.01396	20.8
173.02971	4.8
175.04498	2.2
180.70485	0.8
187.04564	3.0
189.02460	25.5
201.02466	1.0
205.05591	3.3
207.03534	4.9
212.04016	1.0
213.02391	0.9
217.02007	0.8
223.06641	16.0
231.03511	100.0
232.03699	1.2
241.07701	2.5
243.03610	2.2
249.04655	7.8
272.06116	1.5
289.07974	0.7
291.05737	8.6
319.05139	13.3
351.07443	10.5
351.12314	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	351.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.6
61.02908	0.9
66.17060	0.8
68.99440	1.3
68.99790	16.7
69.03426	6.0
69.07052	0.9
71.01354	16.0
73.02916	5.3
79.05527	0.7
81.07046	1.5
83.01339	1.8
85.02904	100.0
87.00837	3.3
91.05468	2.1
95.01330	26.6
95.08615	1.1
95.62177	0.7
97.02883	6.5
99.00847	1.6
101.02380	2.6
103.03957	5.6
105.07044	1.1
107.08582	1.3
111.00804	12.7
113.02374	6.1
115.00288	1.2
115.05462	3.5
119.08622	0.7
123.00802	2.2
123.32707	0.7
129.01837	43.0
131.03416	5.1
133.10201	0.9
135.04427	2.5
139.00258	19.4
141.01822	44.4
145.22133	0.9
147.02870	10.3
157.01317	13.8
159.02898	7.5
175.02379	6.5
175.07591	2.9
177.04013	4.0
177.05341	0.7
189.07130	0.8
193.03387	1.1
195.02892	1.2
202.07848	0.9
203.08586	0.7
220.07776	0.9
227.01918	2.1
243.05449	0.7
245.06189	0.8
250.67947	0.9
269.02954	1.1
273.05560	0.8
287.03873	4.4
290.08835	1.0
291.09412	3.1
305.04971	0.9
315.03549	2.5
319.08875	2.1
333.04462	0.9
351.11569	4.3
351.21439	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.3
57.03436	5.3
61.02921	3.3
67.05512	5.6
68.99789	15.1
69.03431	4.8
69.07069	3.3
71.01353	17.2
73.02911	4.1
79.05492	3.0
81.07059	6.7
85.02903	100.0
87.00832	2.7
90.11510	0.8
91.03963	0.9
91.05479	4.4
93.07037	4.5
95.01327	26.6
95.04951	2.1
95.08611	4.6
96.08956	0.9
97.02877	6.8
97.06549	1.7
98.20788	1.7
99.00806	2.6
101.02360	2.5
103.03910	2.5
105.07037	3.2
107.08598	2.8
109.06519	5.3
109.10143	1.7
111.00789	13.0
113.02349	6.7
119.08572	3.7
121.06499	1.4
121.10126	2.6
123.00809	1.7
123.08053	1.1
123.11737	1.2
129.01834	45.3
129.07005	0.8
129.41182	0.9
131.03398	4.6
131.08575	2.8
133.03410	0.8
133.10205	2.0
137.09613	1.2
139.00261	16.3
139.03847	1.0
141.01819	44.8
145.10150	2.0
147.02875	12.1
147.11710	1.3
149.13275	1.0
157.01328	16.8
159.02867	5.7
159.11714	1.0
165.12764	4.9
175.02402	5.3
177.03973	2.3
227.01985	2.0
259.20615	1.3
269.65002	1.4
277.21555	1.3
287.03986	3.5
289.21652	5.8
296.08795	1.1
301.20026	1.8
302.20575	1.4
305.04965	1.1
315.03317	1.6
333.04520	2.5
350.67807	1.3
351.25412	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	351.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
55.05511	1.0
56.96567	1.6
57.03435	3.5
67.05500	4.4
68.99789	11.1
69.03426	1.8
69.07067	2.0
69.68462	3.5
71.01361	7.5
71.08630	0.7
73.02907	2.2
74.65360	0.6
79.05490	4.0
81.03413	0.9
81.07064	3.9
81.97442	0.6
83.08617	1.0
84.69151	0.6
85.02905	100.0
87.00830	2.5
91.05489	2.9
92.49612	0.6
93.07052	4.4
95.01331	19.2
95.08605	2.4
95.74624	0.7
97.02877	4.0
97.06532	0.8
98.21518	1.0
99.00839	1.8
101.02393	1.2
103.03956	1.5
105.07055	3.1
107.08624	2.3
109.06472	1.1
109.10153	1.5
111.00806	10.5
111.04441	1.5
113.02381	3.1
119.08593	3.1
121.10174	3.1
123.00794	1.2
124.99178	0.8
129.01839	34.4
131.03419	2.8
131.08553	1.4
133.10182	1.8
135.11696	1.9
137.05986	7.5
137.09663	0.8
139.00264	15.2
141.01823	29.6
143.00197	1.1
145.10123	1.8
147.02881	9.0
147.11705	1.5
149.09630	0.9
149.13251	1.3
157.01328	12.9
159.02928	4.6
159.11714	1.4
161.01181	0.8
161.13290	2.0
166.78030	0.8
173.13281	1.0
175.02425	5.8
175.14862	1.2
177.03966	1.8
180.25522	0.7
185.13382	0.9
195.02933	1.6
196.75589	0.7
241.19507	1.1
249.18671	1.3
259.20645	3.1
270.12457	0.9
277.18054	5.2
277.21555	1.3
287.03934	1.5
293.08524	0.8
305.05154	1.0
315.03564	1.0
333.04559	2.4
348.27420	0.8
351.21249	5.0
351.25327	1.8
351.29822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54758	0.4
55.01881	0.5
57.03440	3.1
61.02923	0.9
67.05493	0.9
68.99791	12.2
69.03434	2.5
69.07074	0.5
71.01356	10.7
71.46664	0.4
71.55565	0.7
73.02927	2.3
79.05500	0.4
81.03474	0.4
81.07050	1.2
85.02906	100.0
87.00831	1.8
91.05492	1.2
93.07040	1.0
95.01331	22.7
95.08617	0.7
97.02891	4.3
98.68152	0.4
99.00823	1.7
101.02380	2.0
103.03946	1.4
105.07045	1.1
107.08577	1.1
111.00800	10.0
113.02364	5.5
115.00266	1.1
115.03992	0.5
115.05453	1.1
119.08590	0.9
121.10155	0.5
123.00803	1.5
129.01842	39.7
131.03383	2.2
131.08664	0.7
133.05150	0.4
133.10158	1.0
134.67448	0.4
135.11659	0.4
139.00259	16.4
141.01828	38.3
147.02887	10.6
147.11729	0.7
157.01329	16.8
159.02887	4.5
159.11783	0.5
161.09645	0.4
175.02367	5.2
175.07582	0.7
177.04004	1.8
189.05542	0.7
195.02928	1.4
223.02440	1.2
227.01852	1.1
241.03391	0.5
253.68549	0.4
257.96271	0.4
259.04520	0.5
261.05716	0.6
269.03009	0.6
273.05368	0.4
287.03802	1.9
291.09369	0.6
303.15085	0.5
305.05023	0.5
315.03589	1.6
319.09167	0.9
333.04593	2.0
351.11926	1.7
351.21661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.269
Annotation	Neovasipyridone A
Peak:m/z	Relative Intensity
52.44282	0.8
53.00302	1.1
53.03946	1.5
55.05268	1.4
55.05513	18.1
56.05052	4.2
57.03436	0.9
57.07085	7.0
58.02968	7.8
58.06584	1.9
58.44162	0.8
60.04530	2.1
61.19913	0.8
65.03943	2.0
66.57287	0.9
67.05508	21.4
68.05028	1.7
69.07072	24.9
70.05373	4.2
70.06600	12.9
71.08635	21.4
72.04510	1.6
72.08142	3.7
73.05202	0.8
79.05494	27.1
80.05007	3.1
81.03411	1.0
81.05787	2.2
81.06590	1.7
81.07064	30.4
82.06583	12.1
83.08622	10.2
84.04505	6.1
84.08147	22.0
86.06075	2.6
86.09694	1.6
88.11274	53.3
89.06022	3.0
91.05482	18.2
93.07051	17.5
94.06573	27.5
95.04955	4.2
95.07348	2.7
95.08614	21.1
96.08137	9.8
97.06529	2.7
97.10179	5.1
100.07618	1.1
103.05437	1.1
105.07029	13.5
106.06569	3.1
107.08588	15.2
108.08111	4.0
109.06545	3.1
109.08898	1.3
109.10163	8.3
110.06026	1.0
110.09691	5.3
112.07627	4.8
112.11253	1.3
114.09176	3.4
117.06999	3.3
119.08592	7.6
120.08130	2.4
121.08901	0.9
121.10155	6.7
122.09679	4.6
123.08047	2.2
123.11698	3.9
124.11233	14.4
129.07007	1.4
131.08565	4.2
132.08086	1.5
133.10153	5.6
134.09651	1.7
134.22029	0.9
135.10489	1.3
135.11703	4.9
136.11221	4.7
137.85818	0.9
143.08603	1.6
145.10138	3.2
147.11743	4.6
149.13286	2.0
150.12779	1.3
151.09668	4.1
152.10712	5.8
154.12207	0.9
156.13864	2.5
157.10208	1.0
159.11696	2.3
161.13258	1.3
162.12764	1.2
164.14392	5.1
170.15410	3.9
173.13342	1.9
175.14827	1.5
180.13786	4.7
184.16948	3.0
196.17058	1.0
198.18484	2.8
200.16331	1.2
206.15408	1.2
212.16466	18.2
212.20111	1.5
220.17004	4.0
232.17084	1.4
238.18033	3.0
240.15958	2.0
245.22682	1.7
250.18182	1.6
252.19635	15.5
263.23676	1.1
264.19589	1.2
268.26462	1.4
278.21164	1.1
280.19092	3.1
282.27997	1.0
291.23132	1.5
292.22711	11.3
300.19992	1.1
303.23264	1.8
315.23035	1.4
322.27274	1.4
332.25891	9.2
350.26971	100.0
350.34006	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.8
55.05493	0.8
57.03436	3.9
61.02931	1.0
67.05499	1.9
68.99794	16.9
69.03428	3.4
69.50433	4.8
71.01358	13.2
73.02899	1.8
79.05492	2.7
79.18748	0.6
80.13849	0.6
81.03414	0.7
81.07055	2.0
82.23220	0.6
83.04995	0.5
85.02909	100.0
87.00842	3.3
87.04534	0.6
91.05486	1.7
93.07059	2.1
95.01334	26.4
95.04942	0.8
95.08636	1.8
97.02908	5.0
97.06549	0.6
99.00838	1.3
99.08076	0.7
101.02380	3.2
103.03966	1.5
105.07062	1.9
107.05007	0.8
107.08598	1.7
109.10149	0.8
111.00808	12.5
113.02386	6.1
115.00307	1.2
119.08619	0.9
121.10134	0.8
123.00778	1.7
129.01848	38.0
129.49251	0.7
131.03415	2.3
131.08606	0.9
133.10138	1.2
135.11758	1.0
139.00264	18.4
141.01834	37.5
147.02895	9.2
147.04346	1.0
157.01323	14.7
157.02534	1.0
159.02904	5.3
165.04341	0.7
175.02414	5.1
177.03987	2.0
189.05562	0.9
195.02968	0.9
202.07837	2.0
203.08125	2.8
204.08553	2.0
219.07982	0.8
219.10741	1.3
220.07979	0.7
224.07237	0.6
227.01961	0.8
228.95815	0.7
229.06506	3.2
230.06750	3.2
231.07100	7.2
232.08022	2.3
235.06677	0.9
247.10197	1.0
248.07417	0.8
257.05948	2.6
258.06458	2.6
259.06674	9.0
259.13455	2.0
260.07513	1.3
263.09711	1.5
269.03070	1.3
277.21634	1.6
285.05493	1.6
286.05887	2.1
287.06296	8.3
289.08731	1.2
290.09082	1.4
291.09134	6.4
304.06808	0.9
305.07285	2.3
315.03558	1.0
319.08661	5.6
333.04611	1.6
351.11380	5.8
351.21255	1.5
351.25302	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.05498	5.1
56.96553	3.6
57.03418	3.3
57.07075	1.4
61.02913	1.7
61.35290	1.5
67.05507	22.0
69.03413	3.5
69.07056	5.5
69.43654	10.7
70.06259	1.8
70.06594	22.9
71.04972	3.2
72.08163	3.2
73.02904	4.0
76.03992	3.7
79.05497	13.4
81.07060	11.9
83.04996	3.3
84.04498	2.2
84.08119	2.9
85.02901	7.3
86.09227	1.8
86.09708	21.7
87.05564	3.5
91.05486	10.9
93.07044	16.3
95.04949	2.6
95.08549	1.8
97.02886	5.4
97.06541	2.0
98.97578	8.5
105.03402	7.4
105.07033	3.6
107.04967	2.0
107.08595	67.8
109.10141	10.8
110.97572	1.5
111.04449	15.8
112.61016	1.3
116.01667	2.2
116.07103	11.9
116.98596	4.1
119.04962	1.5
119.06037	1.7
119.08572	2.5
120.08118	7.7
122.05968	2.5
125.09598	4.1
127.03935	2.0
135.08058	2.7
135.11690	96.2
139.03883	2.3
140.07043	6.2
145.02705	1.7
147.04391	3.9
153.07932	2.2
153.09119	44.0
153.12680	2.0
158.99571	2.7
163.03897	1.6
164.07053	1.6
167.15265	1.5
171.10159	100.0
175.03931	2.3
177.00633	1.5
189.05449	3.3
191.08597	1.8
207.06549	2.0
207.11284	4.1
214.06844	2.4
229.05521	7.4
233.16600	1.5
238.05914	2.3
239.08609	5.9
260.09125	4.6
286.17685	2.6
290.12103	2.9
319.12872	2.3
324.44907	1.7
341.11804	2.2
351.15543	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05503	4.6
57.03433	0.8
57.07067	1.4
58.58725	0.5
63.73042	0.6
64.82217	0.6
67.05512	4.9
69.07069	9.4
70.98819	1.1
71.04970	0.7
79.05492	3.6
79.38495	0.5
81.07047	7.6
83.04980	0.6
83.08615	4.0
85.06515	1.0
91.05473	2.7
93.07064	5.0
95.08600	7.0
97.06505	1.5
97.10140	0.9
97.27214	0.6
99.08062	0.7
105.07024	2.8
107.08583	5.3
109.06534	7.6
109.10161	3.4
111.08070	2.4
119.08575	3.5
121.10148	2.8
123.08069	60.0
123.11694	1.5
131.08586	0.8
133.10127	2.0
135.08043	3.6
135.11714	1.7
136.08752	0.9
137.09616	3.1
137.13245	0.7
145.10196	0.9
147.11700	1.7
149.09660	1.2
149.13263	1.8
159.11694	0.9
161.13248	1.1
163.11174	0.7
165.12732	0.8
177.12669	0.9
179.14311	5.1
203.14256	0.7
233.18956	1.1
275.20129	2.4
289.25168	0.8
293.21115	14.7
303.22971	0.6
303.26703	1.0
307.22672	0.9
331.26291	2.3
349.27368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.02802	0.7
55.05498	2.1
57.03440	0.7
57.07081	5.1
61.95818	0.6
63.45218	0.6
67.05499	2.9
69.07083	3.4
69.87598	3.6
71.08624	1.9
72.88226	0.7
75.56458	0.6
79.05489	3.2
81.07057	6.3
83.04988	0.6
83.08600	1.2
85.06538	2.4
88.46567	0.6
91.05480	2.1
93.07037	2.3
95.08624	4.7
97.10161	0.8
98.17130	0.6
99.08086	1.4
105.07027	3.1
107.08583	3.2
109.06528	18.1
109.10155	2.2
119.08585	2.3
121.06548	0.9
121.10111	1.9
122.07307	2.3
123.07207	1.3
123.08080	22.2
131.08604	0.7
133.10152	1.1
135.08055	2.2
137.09589	1.2
142.16734	0.6
145.10107	1.1
147.11652	1.4
159.25687	0.6
175.33968	0.7
179.14323	100.0
193.15901	2.4
235.83820	0.7
249.18390	0.7
269.39276	0.7
275.20026	0.9
331.26382	2.5
349.27408	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05512	3.9
57.02131	0.4
57.07060	1.1
59.04993	0.5
61.38918	0.4
67.05502	4.5
69.03467	0.4
69.07071	8.6
69.21873	3.9
71.04980	1.0
71.08633	0.8
71.12968	0.4
79.05496	2.3
81.06605	0.5
81.07059	6.1
83.04999	0.4
83.08619	3.1
85.06526	0.9
91.05480	1.3
93.07043	3.6
95.08619	5.3
97.06525	1.3
97.10186	0.6
98.20786	0.7
99.08076	0.6
105.07020	2.5
107.08604	4.7
109.06527	9.3
109.10166	2.8
111.08070	1.5
117.06985	0.5
119.08591	2.9
121.06510	0.4
121.10161	2.6
122.07315	0.5
123.08071	52.4
123.11702	1.6
125.09602	0.5
131.08502	0.7
133.10129	2.4
135.08052	3.4
135.11685	1.7
137.09610	2.7
137.13260	0.4
145.10124	0.9
147.06374	0.4
147.11699	1.7
149.09636	0.8
149.13254	1.5
151.11189	0.6
157.09839	0.4
159.11690	1.1
161.13191	0.8
163.11194	0.5
165.12720	0.9
167.14326	0.6
169.65022	0.5
175.14824	0.4
177.12698	0.5
179.14322	15.6
195.29056	0.4
212.95361	0.5
230.42711	0.5
233.19009	0.6
265.28427	0.4
275.20084	1.5
289.25119	0.6
293.21109	12.8
303.26721	0.5
307.22833	0.5
331.26297	2.7
349.27377	100.0
350.27536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	5.3
55.05502	13.7
57.03427	4.3
57.07063	6.7
64.95254	3.3
65.03941	3.5
67.05502	35.4
69.07073	21.8
69.39342	10.4
69.39753	15.5
71.04999	3.6
73.35272	3.3
79.05496	30.7
81.07059	48.3
83.04961	6.4
83.08622	10.2
85.06460	4.2
91.05480	46.4
93.06480	5.2
93.07042	75.4
95.04992	19.5
95.08600	46.0
97.06537	13.4
103.05457	4.0
105.07030	100.0
107.08602	59.9
109.06516	12.0
109.10156	40.8
117.07021	19.6
119.08585	93.3
119.09380	3.0
121.10145	74.7
123.08018	19.2
123.11686	11.7
128.06235	7.7
129.07005	11.0
130.07758	5.2
131.08577	52.7
133.10118	44.4
135.08009	12.7
135.11693	15.9
137.09583	3.7
141.07005	4.4
142.07773	20.6
143.08545	31.4
144.09319	7.4
145.10127	56.7
147.08051	8.5
147.11714	17.3
149.09630	8.3
155.08565	13.3
156.09367	8.9
157.10135	41.4
158.10895	7.6
159.11667	23.1
161.09593	24.4
161.13264	11.7
169.10118	20.4
170.10921	4.9
171.11694	21.6
172.12312	5.9
173.09628	5.0
173.13245	20.4
175.14825	11.5
179.08548	9.7
179.14330	19.3
181.10095	11.1
182.10832	5.1
183.11653	17.4
185.13239	12.9
187.11159	3.8
187.14850	27.7
194.10927	6.0
195.11661	13.8
197.13258	18.5
199.14828	13.7
201.12750	3.9
201.16359	6.5
207.11696	4.7
209.13275	16.9
210.13988	6.5
211.14795	8.7
213.16458	7.6
223.14796	7.0
225.16373	4.3
227.14326	9.6
239.17928	7.9
251.17883	4.7
253.19576	5.4
254.70813	3.3
265.19629	6.9
275.20059	5.0
289.08423	7.5
349.10803	8.1
349.24744	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	349.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
54.49401	3.3
55.05506	22.4
56.96548	3.8
57.03445	4.5
57.07062	5.3
57.77050	3.9
63.08471	3.2
65.03934	5.1
67.05506	42.0
68.79533	3.1
69.03437	6.6
69.07064	24.9
70.89083	4.2
70.89412	6.7
71.04991	4.9
73.64364	3.4
79.05493	37.7
81.07058	52.0
83.08601	7.1
89.06050	4.7
91.05479	62.1
93.06480	6.4
93.07041	78.3
95.04942	28.2
95.08601	62.5
97.06521	13.4
103.05511	7.5
105.07029	100.0
105.89058	3.3
107.08588	79.2
109.06509	15.0
109.10156	48.0
109.54337	3.6
116.06235	3.4
117.07004	20.5
119.07703	4.8
119.08574	99.2
121.06493	9.5
121.10140	89.9
121.50729	3.2
123.08035	13.3
123.11678	16.7
128.06224	9.1
129.06990	14.6
130.07784	8.3
131.08549	64.4
133.10129	55.8
135.08047	12.6
135.11696	23.9
139.73112	4.0
141.06966	10.2
142.07780	18.6
143.08537	36.5
144.09311	8.7
145.00221	3.5
145.10112	73.0
147.08028	8.5
147.11659	25.9
149.09558	10.3
149.13226	3.9
155.08559	11.9
156.09315	11.9
156.40260	3.7
157.10115	53.0
158.10861	5.1
159.11656	32.3
161.09641	21.1
161.13260	14.9
163.11171	4.4
165.07004	7.0
167.08592	5.1
169.10149	23.0
170.10866	7.8
171.11665	27.7
173.09636	6.6
173.13254	20.0
175.14809	14.9
179.08545	7.1
179.14343	9.9
180.09250	5.6
181.06595	4.4
181.10095	13.7
182.10806	5.8
183.11699	21.3
184.12550	4.0
185.09589	5.0
185.13206	20.1
187.14799	33.3
189.12796	4.2
189.16702	4.0
193.10173	5.3
194.10866	12.0
195.11630	19.8
197.13280	21.5
199.14851	17.4
200.15521	6.2
201.12730	4.9
201.16327	9.2
204.63789	4.8
207.11578	3.6
209.13237	20.4
209.93102	3.5
211.14838	9.6
213.12755	5.7
223.14767	7.7
225.16354	6.8
227.14284	16.2
233.39226	3.6
237.16412	6.5
239.18036	6.0
251.17960	4.4
255.17453	5.2
265.15732	4.2
265.19498	8.6
293.18878	6.2
331.24121	6.1
349.24860	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72581	1.1
53.03946	2.9
55.01871	2.6
55.05516	7.4
57.03444	34.7
59.04970	1.4
61.11597	1.2
65.03953	1.5
67.05183	2.1
67.05508	25.0
67.74588	1.1
69.07082	7.6
69.66639	8.0
71.04997	1.3
79.05074	2.0
79.05501	25.1
81.03414	1.4
81.07065	23.9
83.04958	2.6
83.08619	4.9
85.06555	8.7
91.05491	35.4
93.07051	30.3
93.07632	1.7
95.04966	3.6
95.08615	19.0
97.06532	3.3
97.10136	1.4
99.04457	5.2
103.05525	1.6
105.07043	24.3
107.04952	3.1
107.08605	14.7
109.06515	10.2
109.10166	6.3
111.08101	3.6
117.07026	11.0
119.08596	22.0
121.06523	1.7
121.10155	10.4
123.08054	3.8
128.06322	1.2
129.07018	2.8
131.08582	17.5
133.10144	14.5
135.08058	4.2
135.11705	4.6
137.09616	1.5
143.08542	2.0
145.10149	11.3
147.11682	6.2
149.09608	4.0
153.12782	2.2
157.10118	2.9
159.11719	7.2
161.13239	2.4
163.11209	2.4
171.11655	1.6
173.13231	3.6
175.14781	2.6
185.13251	5.0
201.16382	5.2
203.14362	4.5
209.15591	1.6
217.15929	1.3
219.17456	100.0
220.17831	2.0
248.94769	1.5
257.19104	2.6
275.20078	15.1
289.08786	1.4
349.23773	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01868	13.2
55.05513	50.2
56.96564	2.6
57.03434	15.6
57.07068	2.3
59.04992	2.3
65.03948	3.0
67.05505	58.2
69.03413	4.7
69.07072	20.6
70.70113	3.4
70.70453	2.4
70.91162	1.5
71.04980	5.9
71.33624	1.6
79.05492	100.0
81.03430	7.6
81.06593	3.2
81.07057	47.3
83.04980	30.6
83.08215	1.5
83.08630	14.3
85.06526	2.0
91.05482	41.8
93.07047	63.5
93.07639	3.0
95.01321	3.0
95.04984	13.7
95.08619	25.0
97.06525	7.3
97.10167	16.3
99.08076	1.9
102.65560	1.7
103.05412	2.0
105.07033	39.4
107.04946	31.1
107.08595	58.6
109.06493	5.5
109.10156	23.6
111.08077	4.3
117.07018	17.1
119.06107	2.1
119.08573	29.6
121.06495	5.7
121.10144	22.8
122.28957	1.5
123.08062	3.9
123.11704	4.6
125.09629	16.9
129.07004	3.5
131.08577	17.2
133.06529	2.3
133.10129	23.8
135.08031	9.3
135.11647	7.4
137.09618	3.3
143.08498	3.7
144.08334	1.5
145.10115	12.7
147.11679	14.8
149.09619	55.5
149.13196	2.7
153.09047	2.7
155.08591	1.8
157.10135	2.3
159.11702	8.9
161.09595	1.6
161.13303	7.5
163.11185	4.1
163.14780	4.8
169.10104	3.0
169.12302	4.3
171.10150	4.0
171.11632	3.1
173.11746	5.4
173.13281	6.5
177.12764	2.6
179.14330	4.0
183.11598	3.0
187.11218	3.5
189.11217	7.7
191.14334	1.9
197.35686	1.7
205.12282	1.9
209.15382	5.9
211.14973	2.1
215.17934	1.9
229.06496	3.4
229.19481	4.4
233.15598	1.6
239.18016	4.0
247.20570	3.3
254.94620	2.1
256.95383	1.6
257.06006	1.8
257.18970	10.7
275.20053	52.5
285.05444	2.3
289.08572	3.8
290.09229	2.1
317.08029	1.7
342.14395	1.8
349.10754	2.3
349.20016	3.8
349.23734	59.6
349.27292	2.8
350.23526	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	15.8
54.30985	2.5
55.01872	19.8
55.05514	34.3
57.03436	17.4
59.25336	3.1
65.03941	3.8
67.05509	77.6
69.07072	76.8
69.52327	4.4
69.52734	14.9
71.04997	3.8
79.05077	4.2
79.05499	59.1
81.03433	34.2
81.07061	95.2
83.04974	11.8
83.08631	15.1
85.06571	3.4
91.05489	77.5
93.07048	72.8
95.01343	23.6
95.04964	23.4
95.08617	65.7
97.02887	3.1
97.06544	23.3
97.10177	7.0
98.21531	5.5
103.05495	4.0
105.04523	3.1
105.07039	100.0
107.04971	39.9
107.08604	30.3
109.06531	10.6
109.10140	15.4
111.08057	5.2
113.65847	2.9
117.07020	29.5
119.08593	59.6
121.06523	8.0
121.10116	16.1
123.04425	4.4
123.08083	12.7
129.06995	4.8
131.08575	42.4
133.10129	66.2
135.08051	5.5
135.11688	14.2
137.09625	6.3
141.06979	3.6
143.08551	8.4
145.06470	3.9
145.10132	32.6
147.11699	26.2
147.43875	2.5
149.09642	10.0
149.13289	12.3
151.11212	3.3
151.98059	3.4
157.10109	7.1
158.23222	3.1
159.11705	31.5
161.13278	9.9
163.11205	5.9
164.97681	2.8
169.10104	4.8
171.11688	6.1
173.13249	7.6
175.11108	2.7
177.12737	13.3
179.14307	31.2
183.11728	3.8
187.11194	9.0
193.12326	3.6
197.13220	3.8
205.12236	4.5
219.17487	3.9
223.13271	3.4
233.15552	2.9
239.17989	4.7
247.20532	4.3
257.19000	14.2
275.20093	86.9
305.15991	3.2
349.23740	72.2
371.56476	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43170	1.4
53.03935	3.9
55.01876	10.4
55.05244	1.9
55.05514	37.6
57.03439	26.0
61.02914	1.7
65.03916	3.9
67.05511	44.8
69.07075	19.7
69.57233	10.2
71.04969	3.1
77.03911	1.5
78.04668	1.4
79.05496	77.8
80.89223	1.4
81.03399	5.0
81.06606	2.4
81.07058	43.0
83.04971	6.3
83.08611	15.1
85.02879	1.7
85.06540	3.9
91.05485	61.0
93.07048	44.4
95.04938	6.0
95.08616	27.2
97.06535	8.4
97.10168	11.9
99.08083	2.2
105.06319	3.0
105.07035	72.4
107.04961	13.7
107.08596	89.6
109.06509	5.5
109.10162	15.6
111.08061	3.5
117.06351	1.8
117.07018	18.4
117.81281	1.7
119.06094	2.8
119.08582	34.1
121.06495	3.7
121.10141	15.1
123.08054	4.0
123.11701	2.9
125.09631	15.7
128.06210	1.8
129.07021	8.2
129.07811	1.5
131.08578	27.2
133.10144	34.9
135.08031	5.7
135.11665	8.5
137.09634	2.9
141.06947	3.8
143.08580	11.7
145.10136	79.2
147.11682	32.2
149.09627	15.5
149.13252	3.1
153.09177	1.9
155.08510	4.6
157.10126	6.9
159.07948	1.7
159.11691	23.2
161.09596	2.9
161.13248	8.6
163.11162	5.9
169.10130	4.3
171.10339	2.3
171.11652	11.6
173.11893	1.8
173.13205	8.6
175.14795	2.3
177.12733	3.7
183.11676	9.3
185.13295	10.1
187.11053	2.1
187.14861	2.7
189.11217	15.1
194.14449	2.1
197.13278	5.3
200.06247	3.2
201.06961	5.5
202.07790	10.6
203.08476	3.3
203.14336	8.6
205.06436	3.3
207.43370	1.7
218.07195	2.9
219.08083	2.3
219.17430	6.1
229.06461	25.0
229.19539	3.8
230.07170	9.3
231.08022	2.7
239.17886	18.5
245.09360	1.8
246.06686	4.4
247.20532	2.7
257.05942	19.4
257.16302	3.1
257.19016	60.4
258.06711	3.5
261.09094	3.7
263.06918	2.3
275.20078	68.7
285.05493	17.1
289.08636	25.1
290.09302	2.7
317.08078	16.6
331.22510	8.2
349.10794	26.9
349.19781	22.1
349.23700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58447	0.5
56.41530	0.5
57.07064	0.5
67.05509	0.8
69.07037	0.9
70.50257	1.7
79.05470	0.7
81.07061	0.7
82.05251	0.5
91.05479	0.8
93.07049	1.0
95.08608	0.8
96.86538	0.5
102.65819	0.5
107.08579	0.7
107.99654	0.5
119.08557	0.8
121.10184	0.6
135.11720	0.5
149.13417	0.5
152.85136	0.5
159.11702	0.6
208.69354	0.5
235.13120	1.2
237.83768	0.6
249.14590	0.5
266.17612	0.5
345.96393	0.5
349.23502	100.0
350.23828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.9
64.58440	0.5
67.05505	1.6
69.07084	0.8
69.46271	1.4
69.46674	4.1
79.05479	0.6
81.07040	1.7
86.59493	0.6
89.06038	0.6
91.05451	0.6
93.07038	1.0
95.04987	0.6
95.08617	1.0
98.21514	0.8
105.07015	1.0
107.08594	1.1
109.06525	0.8
112.99980	0.6
119.08579	0.9
121.10146	0.8
123.08072	2.4
123.58092	0.7
133.10168	0.8
145.10184	0.9
158.28499	0.6
179.14316	2.1
194.39737	0.6
203.65285	0.7
214.78766	0.5
228.61484	0.6
229.06326	0.8
265.51343	0.6
349.23514	100.0
349.27020	4.1
350.23712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.9
53.03935	11.3
55.01871	18.0
55.05282	3.3
55.05514	47.2
56.96548	11.3
57.03439	26.2
57.07080	3.6
59.04986	2.8
61.02928	2.9
65.03942	3.2
67.05506	74.1
69.03422	6.8
69.07063	36.1
71.04967	7.1
71.54967	4.8
71.92505	2.5
73.02895	3.6
77.03912	2.8
79.05495	100.0
81.03431	16.0
81.06595	5.0
81.07056	78.9
83.04990	27.4
83.08617	17.3
85.02880	4.1
85.06510	4.9
88.46655	2.4
91.05482	71.8
93.07047	76.5
95.01315	10.8
95.04973	18.4
95.08599	48.4
97.06524	16.0
97.10152	11.0
105.07034	82.2
107.04955	35.9
107.08596	65.0
108.84856	2.3
109.06505	14.4
109.10161	31.4
111.08055	5.5
117.07010	23.2
119.08585	44.5
121.04222	2.7
121.06471	7.8
121.10142	25.0
123.08069	8.2
123.11676	5.7
125.09608	10.3
129.07014	8.2
130.18909	2.4
131.08569	27.3
133.10129	53.7
135.08034	6.3
135.11685	12.8
137.09607	4.4
141.06995	4.2
143.08549	5.7
145.06473	5.6
145.10129	26.3
147.11699	25.8
149.09610	48.0
149.13254	8.9
153.09032	3.2
157.10133	9.8
159.11717	23.5
161.13237	10.2
163.11188	7.7
163.14912	3.8
169.10046	3.4
171.11705	5.7
173.09654	2.8
173.11777	5.1
173.13289	8.5
177.12656	6.1
179.14293	12.4
183.11642	3.7
185.13200	2.8
187.11154	5.8
187.14778	3.1
189.07011	3.4
189.11261	6.0
195.13782	3.0
197.13188	3.2
201.07021	12.0
202.07742	27.9
203.08284	3.6
205.06444	3.7
205.12244	3.5
209.15240	4.5
218.07219	7.9
219.07967	7.3
229.06415	39.3
229.19553	7.0
230.07237	12.4
231.08134	7.7
233.06012	4.4
239.17860	4.5
243.08971	3.4
245.09508	3.3
246.06747	7.1
247.07623	5.6
247.20523	6.8
255.08989	4.6
257.05930	30.8
257.18991	18.1
258.06808	6.6
261.09171	7.6
263.07162	4.6
269.10504	7.0
275.07117	5.7
275.20071	80.1
285.05420	24.5
285.10150	6.7
287.11609	4.5
289.08603	65.8
290.09146	14.5
301.45508	2.6
303.06430	9.3
317.08081	44.5
331.15714	6.0
349.10693	54.3
349.16794	8.8
349.23724	89.4
350.11121	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64537	2.6
53.03922	5.0
55.01882	15.8
55.05519	39.9
56.43137	2.4
56.96563	6.1
57.03443	32.0
61.02920	3.6
67.05186	4.3
67.05507	62.2
69.06793	2.5
69.07078	27.7
71.04974	3.9
73.02905	3.1
78.65615	2.4
79.05499	89.3
80.05807	2.8
81.03403	10.3
81.07065	47.7
83.04978	6.5
83.08609	16.4
85.02925	5.3
85.06549	4.3
85.95708	3.4
91.05484	73.8
93.07050	53.7
95.04983	13.4
95.08608	32.1
97.02888	5.1
97.06551	15.2
97.10194	14.6
105.07039	84.2
107.04947	18.8
107.08599	92.8
109.06522	5.7
109.10166	15.5
111.08063	6.3
117.07021	20.4
119.08588	45.5
121.06422	2.8
121.10140	19.2
123.08073	4.1
123.11709	3.3
125.09608	17.2
129.07013	9.1
130.07761	3.5
131.08572	35.9
133.10130	45.6
135.08096	8.7
135.11690	10.7
137.59645	2.7
141.07039	3.1
143.08549	16.7
145.10127	94.6
147.08054	4.2
147.11696	29.3
149.09639	22.1
149.13257	4.2
154.82526	2.6
155.08588	5.4
157.10141	13.8
159.11707	33.8
161.09579	5.1
161.13266	12.4
163.11203	11.2
165.06868	3.9
169.10117	7.8
171.10347	3.0
171.11641	13.3
173.13257	11.3
175.11104	3.9
175.14796	2.9
177.12813	3.7
179.14320	4.6
181.12199	3.3
183.11665	10.7
185.13220	12.7
189.06940	5.7
189.11258	12.9
191.08537	3.5
193.12204	4.3
195.11740	5.4
197.13216	6.2
200.06366	3.8
201.07025	9.5
201.16455	3.0
202.07777	35.1
203.08525	5.2
203.14275	7.7
205.06288	6.0
211.14856	4.4
213.16261	3.9
215.08673	3.5
217.10130	8.7
218.07288	7.9
219.08112	4.8
219.17383	8.0
229.06477	66.1
229.19524	5.9
230.07191	22.1
231.08054	7.9
233.05933	5.3
239.17909	20.5
245.09616	8.8
246.06737	6.4
247.07567	4.2
251.11272	3.7
257.06003	54.9
257.19022	63.5
258.06702	8.0
261.09183	13.1
267.09003	11.1
268.09326	4.1
269.12335	12.4
273.09045	4.5
275.20084	74.0
285.02679	3.9
285.05524	50.6
285.10083	9.0
286.05893	5.5
286.10614	6.1
289.08594	45.8
290.09180	5.2
300.09561	2.6
303.06534	17.0
317.08093	30.3
331.22659	9.0
349.10779	42.5
349.14966	3.9
349.15741	4.5
349.19907	35.7
349.23691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31171	1.0
53.03937	2.5
55.01863	4.0
55.05514	15.3
56.37318	1.0
56.96535	1.2
57.03440	38.4
57.07069	1.7
65.03931	1.7
67.05508	34.4
69.03426	1.9
69.06730	1.3
69.07077	12.9
69.90685	5.2
69.91004	1.0
71.04988	2.5
77.13316	1.2
79.05499	43.4
81.03430	2.2
81.07059	44.4
83.04975	4.8
83.08630	9.3
83.56346	1.3
85.06556	6.5
91.05487	56.5
93.07048	50.8
95.04977	7.6
95.08611	29.6
97.06525	7.2
97.10156	3.5
99.04512	1.4
99.08102	2.4
103.04014	1.3
103.05456	2.5
105.04553	1.9
105.07034	65.3
107.04942	4.8
107.08600	31.2
109.06510	10.2
109.10163	8.2
111.08054	2.4
111.82872	1.1
113.09567	1.2
115.05452	1.7
117.06229	1.7
117.07024	24.6
117.07848	1.3
119.08591	46.5
121.06516	3.0
121.10160	14.4
123.08058	4.2
125.09625	1.4
127.07584	1.5
128.06215	2.2
129.07014	13.1
130.07799	2.1
131.08574	29.8
133.06516	1.7
133.10139	31.2
135.08092	3.6
135.11694	6.7
137.09575	2.6
141.06985	3.1
143.08556	12.5
144.09322	1.2
145.10130	45.5
147.07962	2.2
147.11690	23.7
149.09642	8.3
149.13206	3.5
151.11140	1.6
153.12778	1.2
155.08568	4.4
156.09309	1.0
157.05940	1.2
157.10168	13.4
159.11703	44.8
161.09624	3.6
161.13254	12.1
163.11160	6.1
165.12759	1.4
169.10136	7.2
171.11714	7.9
173.09734	1.0
173.11804	1.7
173.13264	13.1
175.11206	3.3
175.14799	6.2
177.12788	2.3
179.14284	1.5
183.11693	5.5
185.13258	20.8
187.11134	1.4
187.14857	2.8
189.07123	1.4
189.11200	2.3
189.12737	1.8
190.07773	1.8
191.14343	2.0
197.13306	5.5
199.14996	1.7
201.07022	8.5
201.12755	2.2
201.16414	3.9
202.07758	13.3
203.08528	3.1
203.14360	9.6
205.06480	4.5
205.15836	1.6
211.14876	1.7
215.08577	1.5
215.18065	1.8
217.10161	3.0
218.07307	3.7
219.08035	2.7
219.17435	18.3
220.05284	1.2
221.15398	2.8
229.06482	20.6
229.19502	5.8
230.07265	6.9
231.08118	3.9
233.05995	1.8
233.09579	1.3
233.43860	1.1
239.18007	15.6
245.09651	2.0
246.06792	5.0
257.05942	19.4
257.19031	34.2
258.06644	1.9
259.07538	1.5
261.09247	2.5
263.07028	3.9
274.06342	1.1
275.06766	1.3
275.20068	50.3
277.17981	3.3
285.05496	14.9
285.10410	2.4
287.07089	1.5
289.08612	29.8
290.09183	4.8
291.19763	1.1
303.06516	3.7
317.08109	23.0
331.22684	4.2
349.10757	31.2
349.23761	100.0
350.11029	1.5
350.24091	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.2
56.96551	0.7
57.03433	1.0
58.99876	0.5
61.02923	1.0
67.05508	2.5
69.03418	0.6
69.07063	0.6
70.71477	0.7
70.71832	0.9
79.05496	2.3
81.03413	1.1
81.07074	2.3
82.07403	0.5
83.04974	0.5
85.02895	0.8
91.03989	0.5
91.05485	2.9
93.07049	2.0
95.04992	0.7
95.08607	2.1
97.06501	0.5
99.04478	0.5
105.07046	2.3
107.08590	2.0
109.06512	0.8
113.97577	0.5
115.03877	0.5
117.06994	1.4
119.08599	2.3
121.10150	1.2
129.29523	0.5
131.08591	1.8
133.10117	1.7
137.05750	1.2
143.08594	0.6
145.10114	1.9
147.11748	0.6
159.11711	1.0
162.89525	0.5
163.11234	0.5
173.13387	0.5
177.06970	1.2
187.08008	0.5
189.07001	1.1
190.07727	1.3
191.08614	0.6
200.06313	1.3
201.07027	4.4
202.07751	10.3
203.08456	2.7
204.09502	0.6
205.06525	2.1
215.08638	0.7
217.06491	0.7
217.10141	1.6
217.31160	0.6
218.07274	2.4
219.08051	1.7
220.05128	0.6
229.06479	13.8
230.07227	5.2
231.08052	3.0
233.06062	1.5
233.09708	0.9
245.09683	2.3
246.06714	2.3
247.07599	1.0
251.11374	0.9
252.11601	0.7
257.05966	10.9
257.18845	0.9
258.06747	1.8
259.07553	2.6
261.09137	2.3
261.14618	1.2
263.07053	3.0
269.12405	1.5
270.12582	2.1
271.12097	1.0
274.06281	1.6
275.07016	1.0
275.20029	1.8
285.05469	8.5
289.08591	20.1
290.09415	3.8
303.06580	2.1
317.08109	11.8
343.82718	0.5
349.10818	15.5
349.19867	100.0
349.23352	3.9
350.20258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01867	0.7
55.05517	2.2
56.96560	0.8
57.03429	1.6
58.70586	0.4
61.02924	0.8
61.64728	0.4
67.05507	4.8
68.95531	0.4
69.07063	2.5
70.72417	0.7
70.72800	0.7
71.04998	1.0
79.05495	4.4
81.03387	0.7
81.07057	5.1
82.78065	0.4
83.04984	0.7
83.08614	1.9
84.14143	0.4
85.02911	1.2
91.03938	0.5
91.05472	5.5
93.07037	4.4
95.04940	1.0
95.08614	3.0
95.09139	0.6
97.02892	0.5
97.06549	1.0
105.07031	5.8
107.04939	0.9
107.08607	3.8
109.06535	1.0
109.10146	1.1
117.07021	2.0
119.08584	3.7
121.10159	1.4
129.06987	0.8
131.08571	1.9
133.10149	3.4
135.11699	1.3
137.05742	1.0
137.09621	0.7
145.10114	3.6
147.11679	1.7
149.09624	1.2
149.13275	0.6
151.11148	0.5
156.03624	0.4
157.10091	0.5
159.11703	1.9
161.13292	0.7
163.11197	0.9
169.10172	0.5
171.11510	0.5
173.13271	1.0
183.11665	0.9
185.13286	0.5
189.07056	1.1
190.07805	0.6
197.13214	0.5
200.06134	0.9
201.07028	2.3
202.07777	4.3
203.08643	0.7
205.06540	1.5
206.07323	0.5
217.10103	0.9
218.07300	1.3
219.08055	1.3
219.17366	0.5
229.06464	6.4
230.07269	2.7
231.07938	0.9
233.06117	0.8
245.09631	0.6
246.06793	1.4
247.20564	0.5
252.81039	0.4
257.05969	6.1
257.19037	1.9
258.06647	1.1
259.07526	1.0
261.09186	1.5
261.14655	1.2
263.06918	1.4
269.12372	1.5
270.12671	1.6
271.12250	1.3
274.06290	0.8
275.06982	1.1
275.20120	4.0
285.05502	4.2
289.05627	0.3
289.08600	9.6
290.09253	1.7
303.06369	0.6
317.08017	5.4
349.10928	7.9
349.19870	100.0
349.23654	7.4
350.20166	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01862	2.7
55.05513	6.6
56.96556	1.8
57.03441	5.4
61.02930	1.3
62.58534	0.8
62.96770	0.8
64.31097	0.7
65.03938	1.0
67.05510	13.1
69.03428	1.1
69.07077	10.1
69.07630	0.8
69.50414	3.5
69.50819	1.2
71.04970	0.9
77.61348	0.7
79.05072	1.3
79.05498	18.0
81.03421	1.7
81.07059	13.8
83.04989	1.9
83.08605	2.3
85.06565	0.9
91.03983	0.7
91.05479	13.7
93.07055	12.0
94.89405	0.8
95.04961	2.7
95.08065	1.0
95.08615	10.2
97.02934	0.8
97.06547	4.2
97.10143	1.7
98.20734	1.0
98.97580	0.9
105.04527	0.7
105.07034	14.1
107.04935	3.0
107.08597	15.1
109.06529	3.4
109.10142	4.3
111.08091	0.8
113.00037	2.1
117.07065	4.9
119.08593	8.3
121.06478	1.7
121.08630	0.7
121.10155	4.9
123.08106	1.0
123.11777	1.0
125.09650	1.5
129.06999	2.1
131.08562	5.3
133.10146	7.1
135.08080	1.2
135.11671	4.3
137.05751	2.7
141.06946	1.1
143.08560	1.6
145.06622	1.0
145.10136	8.5
147.11726	4.7
149.09619	2.9
149.13249	1.7
157.10179	2.5
159.11714	6.0
161.09680	1.4
161.13277	1.9
163.11185	3.2
169.02690	1.4
171.11765	1.8
173.13275	2.1
175.11115	0.8
175.14806	0.7
177.07063	1.7
177.12756	1.0
178.07794	1.3
179.14316	1.2
183.11568	1.2
185.13303	1.4
187.11243	0.8
188.42679	0.7
189.07059	3.2
189.11208	1.1
190.07779	3.1
191.08594	1.7
193.06464	0.8
197.13245	1.4
197.45564	0.7
200.06221	2.7
201.07018	13.1
202.07779	21.6
203.08514	6.0
205.06458	6.0
205.10229	1.4
215.08638	2.5
216.09297	1.0
217.10170	2.6
218.07320	5.3
219.08073	4.4
219.17477	1.5
220.05203	1.2
229.06483	33.7
229.19395	0.9
230.07251	9.4
231.08037	7.8
232.08925	0.9
233.06047	1.9
233.09744	1.5
234.06813	1.2
235.07611	1.5
235.13007	0.9
237.08685	0.7
239.18010	2.1
245.05960	1.1
245.09637	4.4
246.06805	6.5
247.07610	2.2
247.20711	1.4
249.09230	0.9
255.08969	1.4
257.05978	27.0
257.08670	1.6
257.19046	5.5
258.06717	5.8
259.07648	3.5
261.05502	1.1
261.09189	6.5
263.06979	5.8
269.12341	0.8
273.09192	1.7
274.06320	3.3
275.07016	3.8
275.20078	12.8
276.07816	1.8
285.05469	26.9
285.10107	1.1
286.05740	1.2
287.07074	2.2
289.08600	49.3
290.09286	6.0
293.08142	2.0
295.15631	1.7
295.65698	1.1
303.06616	4.5
317.08102	28.8
319.09695	1.2
321.07724	1.1
331.22733	1.2
334.08304	1.8
335.09033	1.2
349.10757	54.3
349.19910	100.0
349.23846	22.6
350.11005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01862	2.7
55.05513	6.6
56.96556	1.8
57.03441	5.4
61.02930	1.3
62.58534	0.8
62.96770	0.8
64.31097	0.7
65.03938	1.0
67.05510	13.1
69.03428	1.1
69.07077	10.1
69.07630	0.8
69.50414	3.5
69.50819	1.2
71.04970	0.9
77.61348	0.7
79.05072	1.3
79.05498	18.0
81.03421	1.7
81.07059	13.8
83.04989	1.9
83.08605	2.3
85.06565	0.9
91.03983	0.7
91.05479	13.7
93.07055	12.0
94.89405	0.8
95.04961	2.7
95.08065	1.0
95.08615	10.2
97.02934	0.8
97.06547	4.2
97.10143	1.7
98.20734	1.0
98.97580	0.9
105.04527	0.7
105.07034	14.1
107.04935	3.0
107.08597	15.1
109.06529	3.4
109.10142	4.3
111.08091	0.8
113.00037	2.1
117.07065	4.9
119.08593	8.3
121.06478	1.7
121.08630	0.7
121.10155	4.9
123.08106	1.0
123.11777	1.0
125.09650	1.5
129.06999	2.1
131.08562	5.3
133.10146	7.1
135.08080	1.2
135.11671	4.3
137.05751	2.7
141.06946	1.1
143.08560	1.6
145.06622	1.0
145.10136	8.5
147.11726	4.7
149.09619	2.9
149.13249	1.7
157.10179	2.5
159.11714	6.0
161.09680	1.4
161.13277	1.9
163.11185	3.2
169.02690	1.4
171.11765	1.8
173.13275	2.1
175.11115	0.8
175.14806	0.7
177.07063	1.7
177.12756	1.0
178.07794	1.3
179.14316	1.2
183.11568	1.2
185.13303	1.4
187.11243	0.8
188.42679	0.7
189.07059	3.2
189.11208	1.1
190.07779	3.1
191.08594	1.7
193.06464	0.8
197.13245	1.4
197.45564	0.7
200.06221	2.7
201.07018	13.1
202.07779	21.6
203.08514	6.0
205.06458	6.0
205.10229	1.4
215.08638	2.5
216.09297	1.0
217.10170	2.6
218.07320	5.3
219.08073	4.4
219.17477	1.5
220.05203	1.2
229.06483	33.7
229.19395	0.9
230.07251	9.4
231.08037	7.8
232.08925	0.9
233.06047	1.9
233.09744	1.5
234.06813	1.2
235.07611	1.5
235.13007	0.9
237.08685	0.7
239.18010	2.1
245.05960	1.1
245.09637	4.4
246.06805	6.5
247.07610	2.2
247.20711	1.4
249.09230	0.9
255.08969	1.4
257.05978	27.0
257.08670	1.6
257.19046	5.5
258.06717	5.8
259.07648	3.5
261.05502	1.1
261.09189	6.5
263.06979	5.8
269.12341	0.8
273.09192	1.7
274.06320	3.3
275.07016	3.8
275.20078	12.8
276.07816	1.8
285.05469	26.9
285.10107	1.1
286.05740	1.2
287.07074	2.2
289.08600	49.3
290.09286	6.0
293.08142	2.0
295.15631	1.7
295.65698	1.1
303.06616	4.5
317.08102	28.8
319.09695	1.2
321.07724	1.1
331.22733	1.2
334.08304	1.8
335.09033	1.2
349.10757	54.3
349.19910	100.0
349.23846	22.6
350.11005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.107
Annotation	Defucogilvocarcin V
Peak:m/z	Relative Intensity
52.39750	0.9
52.69359	1.0
53.03955	2.1
53.05429	0.9
55.01865	2.8
55.05516	6.3
56.96545	1.6
57.03422	4.2
61.06076	0.9
65.94096	0.9
67.05505	9.5
69.07059	7.1
69.95961	3.0
71.04990	1.2
79.05494	11.5
81.03411	2.8
81.07057	12.7
83.04979	2.1
83.08601	2.1
85.02903	1.8
85.06519	1.1
91.03959	1.6
91.05483	9.8
93.07040	9.4
95.04949	1.9
95.08607	6.0
97.06525	3.9
97.10147	2.0
105.07026	13.6
107.04945	2.1
107.08595	11.9
109.06579	1.6
109.10179	2.6
117.07012	4.6
119.08571	6.5
121.10147	3.3
121.97647	1.0
125.09632	2.1
129.06963	1.2
131.08548	6.4
133.10139	7.3
135.06364	0.9
135.08052	1.3
135.11665	3.1
143.08511	1.5
145.10107	10.0
147.11685	6.3
149.09622	4.4
155.08481	1.0
157.10156	1.2
157.90631	1.0
159.08105	1.1
159.11684	4.4
161.13251	2.3
163.11221	1.9
169.10211	1.3
171.11656	2.0
173.13287	2.5
177.06905	4.8
178.07736	1.3
181.12201	1.1
183.11642	1.3
189.07022	4.2
189.11224	1.6
190.07780	2.8
191.08595	1.3
195.08047	1.1
197.13326	1.9
200.06242	3.2
201.06984	22.2
202.07776	39.6
203.08548	4.7
204.05827	1.1
204.09328	2.4
205.06470	16.3
206.07315	2.0
213.06981	2.6
215.08647	2.2
216.09340	2.2
217.06537	1.8
217.10124	4.5
218.07324	5.0
219.08109	8.7
228.05751	1.1
229.06485	66.8
230.07265	51.9
230.09602	1.6
231.08099	4.6
232.08766	1.2
233.05949	12.7
233.09578	1.4
234.06776	1.6
239.17993	3.3
244.08855	1.2
245.09599	7.0
246.06815	6.4
247.07533	10.1
257.05957	49.0
257.18942	6.9
258.06802	18.9
259.07495	1.2
261.05487	3.0
261.09082	7.6
263.07059	4.6
269.12421	3.2
270.12668	2.9
271.12131	1.7
273.05475	1.5
274.06287	3.9
275.06995	11.9
275.20038	13.3
276.07843	2.3
285.05463	20.8
288.07748	1.2
289.08591	100.0
290.09366	22.8
308.06934	1.1
317.08078	44.0
321.11188	5.9
334.08417	1.5
349.10703	88.9
349.19772	15.0
349.23773	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	349.107
Annotation	Defucogilvocarcin V
Peak:m/z	Relative Intensity
55.01862	0.9
55.05513	1.6
56.53445	0.7
57.03429	1.2
67.05500	3.2
68.28490	0.7
69.03391	1.2
69.07070	2.3
71.53840	1.7
79.05496	4.0
81.03463	0.9
81.07051	4.2
83.04982	1.7
83.08564	1.0
85.02913	1.2
91.05483	3.7
93.07042	3.4
95.08611	2.8
97.06542	1.8
97.10187	0.8
98.97584	1.2
105.07048	4.3
107.04983	1.6
107.08593	4.7
109.10158	0.9
111.08086	0.9
116.40324	0.7
117.07046	0.9
119.08584	3.7
121.10136	1.4
123.08163	1.0
131.08606	1.8
133.02725	0.9
133.10112	3.0
135.04454	1.1
135.08006	0.8
145.10132	5.3
146.39964	0.8
147.11678	1.4
149.09630	1.7
153.07024	0.9
155.95419	0.9
159.11632	1.5
163.03908	3.1
165.07091	1.1
173.13300	1.0
176.06241	0.8
177.06989	2.4
178.07837	1.8
183.11691	0.9
189.07014	5.0
189.10956	1.1
190.07794	3.7
191.08546	3.4
194.07399	1.1
195.08121	1.1
199.07622	1.1
200.06140	8.5
201.06995	8.3
202.07785	52.2
203.08551	7.4
205.06487	14.3
205.09956	1.1
206.07237	1.9
213.07243	0.9
215.08611	5.4
216.09332	3.1
217.06493	2.6
217.10101	10.6
218.07262	8.0
219.08080	10.3
229.06485	100.0
230.07269	28.0
231.08058	10.3
232.05313	1.1
233.06078	5.1
233.09752	1.8
234.06757	6.5
242.07361	2.3
245.05901	1.7
245.09633	19.6
246.06781	12.0
247.07596	3.2
249.05461	1.6
257.05981	91.2
257.19009	2.9
258.06735	14.1
259.07581	3.9
261.06137	1.1
261.09116	12.6
262.06323	1.4
262.09683	1.0
263.07217	1.8
273.06189	1.2
273.09036	5.7
274.06210	2.2
275.07092	2.7
275.20148	3.6
285.05466	87.4
289.08591	65.7
289.11951	1.3
290.09308	2.5
299.53864	0.8
302.05923	1.1
303.06534	29.8
317.08093	46.9
335.09210	3.6
343.17630	1.0
349.10721	57.0
349.23889	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	349.0896
Annotation	Pibocin B
Peak:m/z	Relative Intensity
54.67234	0.4
55.05502	1.4
56.96585	0.5
57.01578	0.5
57.03431	0.8
58.99590	0.5
67.05510	0.6
69.03419	1.6
69.07069	0.7
70.06580	0.7
70.35168	0.6
70.35523	1.4
71.04981	0.6
81.03421	0.6
81.06670	0.4
81.07071	3.3
83.04993	0.6
83.08597	0.6
84.04520	2.6
85.02906	2.3
85.06535	0.5
86.09688	1.1
87.02671	0.9
91.05451	0.6
97.02879	1.0
99.08084	0.7
105.07033	0.6
107.08587	0.8
109.02860	0.6
109.10155	0.7
111.08060	0.6
116.92771	0.5
119.01855	0.4
119.04926	0.7
122.02720	1.6
125.09571	0.5
127.03933	0.9
127.11259	0.5
129.09106	0.6
130.05029	0.6
140.07027	0.6
146.06026	0.8
147.04413	2.1
163.03877	0.8
164.07036	0.8
164.41422	0.5
169.12300	0.7
185.04272	1.3
187.03703	1.8
187.13315	2.0
190.05022	0.9
202.08957	2.4
247.04503	1.3
265.05597	1.1
270.23743	0.5
287.14096	0.5
331.12949	0.7
349.08945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61124	1.2
53.03941	1.6
55.05508	6.2
57.03442	9.8
67.05508	9.7
69.07065	5.9
79.05492	14.2
81.07063	15.2
83.04955	1.4
83.08590	3.5
85.06515	1.4
91.05478	15.4
93.07046	13.7
94.30959	1.2
95.04939	1.5
95.08601	9.5
97.06529	1.6
98.20722	2.5
103.33496	1.0
105.07028	20.8
107.04936	1.2
107.08588	9.2
109.06516	1.8
109.10133	3.5
117.07014	10.5
117.84803	1.5
119.08581	15.7
121.06449	1.7
121.10133	3.4
129.07007	3.8
131.08566	9.4
133.10129	9.7
135.11743	1.2
143.08534	4.2
145.10124	12.8
147.11690	5.4
149.09587	1.9
153.68390	1.3
155.08580	1.3
157.10127	5.3
159.11688	11.5
161.09642	1.8
161.13254	3.7
163.03874	2.0
163.11142	1.3
169.10146	2.8
173.13268	5.3
175.14789	1.1
177.06989	4.0
178.07799	1.8
183.11707	2.5
185.13220	4.5
189.06931	7.7
190.07761	6.0
191.08530	2.7
191.14410	1.2
197.13162	1.7
200.06197	6.0
201.06998	23.9
202.07765	41.8
203.08551	11.1
203.14290	3.8
204.09279	1.7
205.06448	11.4
205.10150	1.4
206.07217	1.9
209.51324	1.1
215.08559	4.3
217.06610	1.5
217.10083	6.9
218.07262	13.6
219.08069	9.3
219.17407	3.8
220.05153	3.0
229.06476	82.6
229.19453	1.7
230.07231	23.4
231.04312	1.3
231.08047	12.7
233.06044	5.5
233.09653	3.0
234.06769	1.9
235.07555	2.7
239.17978	4.1
245.06009	2.5
245.09579	10.9
246.06770	12.5
247.07541	4.2
249.09148	1.6
251.12543	1.8
257.05963	77.9
257.18997	12.6
258.06741	9.7
259.07526	2.3
261.09085	13.4
263.07004	12.9
273.05688	2.3
273.09131	3.7
274.06241	4.9
275.06940	5.9
275.20053	11.4
285.05463	70.2
289.08582	100.0
290.09311	11.3
303.06485	12.7
317.08069	65.1
318.08368	1.1
335.09253	1.6
349.10696	74.1
349.19791	18.3
349.23792	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	1.6
55.05468	2.5
56.96543	1.0
57.03423	3.4
61.02899	1.1
65.03903	0.5
66.61893	0.5
67.05502	6.7
68.05773	0.8
69.07076	3.6
70.44013	0.9
70.44347	1.3
71.04949	0.8
73.02862	0.6
78.31207	0.5
79.05497	6.6
81.02159	0.5
81.03391	1.3
81.07061	10.4
83.04937	0.9
83.08601	1.2
85.02881	1.1
85.06501	0.5
88.96465	0.5
91.05482	6.2
93.07043	5.8
95.04958	1.3
95.08606	4.3
96.77853	0.5
97.02859	1.1
97.06501	1.6
97.74383	0.6
98.20068	0.5
101.00844	0.6
105.07037	5.7
107.04906	1.6
107.08592	4.4
109.06463	1.7
109.10100	1.8
112.99962	2.3
115.05390	0.5
117.06967	1.5
119.08587	4.9
119.22834	0.6
121.10165	2.9
123.08096	0.5
123.11681	0.7
129.06982	1.0
131.08583	2.8
133.03513	0.7
133.10115	3.2
135.08035	1.0
135.11671	2.9
137.09642	0.7
141.06934	0.8
143.08578	1.2
145.10135	3.5
147.11697	3.1
149.09595	1.2
149.13161	0.9
151.11099	0.9
157.10115	1.2
159.11687	3.5
161.13287	0.8
162.94797	0.6
163.03894	1.4
163.11140	1.4
165.06931	1.1
169.02541	2.6
169.10106	0.8
173.13177	1.5
176.06143	0.9
177.06975	3.8
178.07733	1.0
179.08545	1.3
179.14255	0.6
185.13261	1.3
189.06989	6.6
190.07790	4.2
191.08574	3.9
192.05699	0.9
193.06505	0.9
195.08034	1.2
200.06201	7.7
201.05144	1.1
201.06998	23.0
202.07776	49.1
203.08542	10.1
203.14238	0.9
204.05739	1.0
204.09294	2.0
205.06488	14.0
205.10066	1.2
206.07237	1.1
207.08005	0.7
213.07022	1.1
215.08536	4.9
216.09282	1.6
217.06508	2.6
217.10114	7.3
218.07271	10.7
219.08037	8.6
220.05243	2.8
222.06622	0.9
226.07820	0.8
229.06468	82.3
230.07268	23.6
230.09599	1.1
231.04485	1.1
231.08051	13.6
232.05095	0.9
232.08783	1.4
233.05963	5.9
233.09439	2.8
234.06824	3.6
235.07507	2.5
242.07323	1.7
243.08176	1.2
244.08791	0.7
245.05894	2.0
245.09607	11.1
246.06760	13.6
247.07571	4.5
249.09151	1.6
250.06274	1.0
255.08896	1.2
257.05975	70.1
257.18988	2.3
258.06720	10.2
259.07437	4.3
261.05548	1.8
261.09131	12.5
262.06198	1.2
263.07019	15.9
267.08789	0.7
273.05579	1.8
273.09128	3.7
274.06262	5.0
275.07007	6.1
275.20065	6.1
276.07800	3.1
285.05472	61.8
286.05817	1.0
287.07095	1.9
288.07675	0.7
289.08591	100.0
290.09317	11.5
291.06720	1.0
293.08008	1.3
302.05783	1.3
303.06558	18.7
317.08090	64.5
318.08405	0.8
331.22745	0.7
334.08347	2.1
335.09125	2.7
349.10709	92.2
349.19858	17.7
349.23801	7.3
349.31268	0.9
350.11133	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.6
55.05513	23.0
55.56757	1.6
56.96550	1.9
57.03426	6.7
57.07063	2.8
59.04997	2.2
67.05506	64.3
69.03426	3.5
69.07079	11.0
70.02132	3.8
70.02543	5.8
71.04996	2.0
71.08624	7.7
79.05499	17.2
81.03422	4.2
81.07057	36.7
83.04975	3.6
83.08624	15.4
84.04484	3.1
85.02908	2.5
85.06560	3.5
87.25579	1.8
91.05469	10.7
93.07050	16.7
95.04976	4.3
95.08618	13.8
97.06554	6.0
97.10151	15.0
99.08098	7.1
105.07047	9.2
107.08600	15.3
109.06525	1.8
109.10159	56.9
111.08086	5.7
117.07030	6.7
119.08604	9.9
121.10165	4.6
123.11705	4.5
125.09638	10.8
127.03915	1.9
129.07034	2.3
131.08545	3.7
133.10124	8.6
135.11688	5.2
137.09625	6.2
145.10115	3.2
147.11722	2.2
149.13277	9.0
151.11185	4.4
153.12717	2.3
155.10669	27.0
159.11682	4.1
161.13252	6.7
163.11203	3.9
173.11736	100.0
177.12779	1.8
179.14319	4.8
189.11192	12.7
195.13812	20.6
200.06230	2.6
201.06984	3.4
202.07805	18.0
202.67691	1.7
203.08466	3.3
205.06378	2.3
213.14825	11.8
217.10091	3.9
218.07251	3.3
219.08054	4.3
227.67169	2.2
229.06494	34.2
230.07327	10.8
231.08118	2.4
233.06020	2.3
233.09909	2.0
234.06734	2.1
245.09628	5.3
246.06844	3.2
257.05994	25.3
258.06729	5.5
259.20474	3.0
261.09094	3.8
269.12323	7.1
277.21594	29.5
285.05453	32.6
289.08527	23.9
290.09033	2.7
295.22632	22.9
303.06555	8.8
317.08118	18.7
349.10718	21.2
349.19821	2.7
349.23773	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	347.2192
Annotation	Cortexolone
Peak:m/z	Relative Intensity
53.68953	0.4
56.64794	0.4
56.96559	0.9
57.07069	0.7
69.03432	0.5
69.98644	1.3
69.99043	0.9
73.02905	0.7
81.07055	0.5
97.02900	0.9
98.20829	0.7
98.97559	0.9
118.02847	0.5
124.39158	0.4
131.00151	1.4
142.83484	0.4
147.03168	1.0
149.01247	1.1
156.03629	1.5
167.54440	0.5
172.24156	0.5
181.25116	0.4
187.84227	0.4
249.14612	0.6
266.14471	1.5
347.17285	6.3
347.21902	100.0
347.67343	1.9
348.22208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.96557	1.8
57.07059	2.0
64.90195	1.0
70.06601	1.5
71.56551	1.9
79.05481	1.6
81.07069	1.9
87.61340	1.0
88.07661	1.8
93.07042	1.5
95.08601	1.9
102.09185	1.2
105.07035	1.6
107.08597	1.0
109.06539	1.0
121.10143	1.3
135.08078	1.7
137.05969	2.4
143.08600	1.0
145.10129	1.0
158.43771	1.2
167.17949	1.0
178.13573	1.0
192.77054	1.0
193.05070	1.0
224.65744	1.0
285.29816	4.2
319.22580	1.6
319.26355	1.3
347.21930	100.0
347.25687	6.5
347.33408	11.4
348.22293	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0706
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
50.53927	0.2
55.01868	0.2
56.96553	0.3
57.03434	0.6
61.02923	0.3
63.71286	0.2
69.03432	1.3
71.06983	0.2
71.55177	0.3
72.08155	0.2
73.06564	0.2
77.23814	0.2
84.04524	0.3
85.02911	6.5
86.09676	0.5
91.05498	1.4
94.04026	0.3
95.04995	0.4
97.02908	2.3
98.97590	3.5
98.98474	2.3
105.11312	0.2
105.27443	0.2
107.04979	0.3
115.03938	0.5
116.98633	0.9
119.01861	0.3
119.03615	1.1
119.04968	1.3
121.06499	0.2
123.04446	0.8
127.03958	0.3
129.03319	0.2
131.68875	0.2
133.06519	0.3
135.04408	0.3
136.06194	100.0
137.00002	0.4
137.04597	0.7
137.06624	0.2
139.03854	0.3
143.01910	0.5
144.02066	0.3
147.04416	2.4
147.51691	0.2
155.04668	0.8
158.99684	1.7
161.02950	0.3
163.03949	0.3
164.99496	2.7
165.05498	0.6
169.04955	0.4
174.90030	0.2
175.03954	1.3
177.00745	0.7
179.07074	0.3
189.05559	1.3
193.04945	0.2
204.04150	0.4
207.06631	1.3
211.06004	0.5
213.01608	0.8
219.01782	0.5
225.07635	0.8
227.06798	0.3
236.07304	2.3
237.02792	0.6
258.07651	0.8
291.07529	1.4
309.08566	3.0
330.06030	0.7
348.07062	10.2
348.13065	0.4
351.09641	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1339
Annotation	3,4,5-Trimethoxyphenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03944	2.6
55.01870	2.3
55.05496	2.2
56.96556	4.5
57.03437	2.7
60.80251	2.0
65.03959	2.2
67.05511	3.7
69.03419	5.3
69.07050	4.2
70.06594	4.3
71.05003	3.8
71.54090	3.3
72.08137	5.8
73.02928	2.5
73.08494	3.3
75.04474	3.2
79.05474	6.5
81.03421	3.1
81.07067	9.9
83.04961	3.1
84.04502	3.7
84.08120	3.8
85.02901	9.3
86.09705	6.9
89.03934	2.9
91.05491	11.2
93.07037	20.1
95.01295	2.3
95.04949	4.5
95.08582	5.9
97.02892	5.4
98.97594	7.7
99.04452	2.3
100.66011	1.8
105.06984	2.4
107.08581	4.9
109.02879	3.0
109.10178	2.7
110.03635	8.0
110.97519	2.2
111.04454	3.7
111.08093	3.1
119.04933	6.4
121.06500	3.5
121.10175	12.7
123.11718	2.2
125.05996	31.8
127.03914	1.9
131.08519	3.2
135.04422	3.5
137.06004	9.6
137.09584	3.2
138.05424	2.4
139.03909	5.5
139.11172	2.0
145.02832	3.1
145.04893	2.3
147.04416	5.7
149.05980	4.4
149.09613	7.4
150.38022	2.2
153.05481	53.3
154.06226	14.2
155.03261	2.4
163.03873	15.2
165.05574	1.9
167.07082	3.3
167.10695	19.1
168.08907	3.1
169.53668	2.0
170.05719	14.3
181.04884	2.8
182.05748	3.2
185.08118	100.0
185.11713	24.1
190.05786	2.4
194.05882	2.6
210.09967	2.7
210.36778	2.3
219.01976	2.5
221.76169	1.8
224.07880	2.5
238.09682	4.0
273.62784	2.3
284.09894	3.3
301.12769	13.8
329.10522	2.2
347.12589	8.3
347.22562	3.0
358.08047	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	347.1699
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
54.12605	0.7
55.01851	0.6
55.05507	0.9
57.03428	1.6
67.05491	2.6
69.03410	1.8
69.07059	2.7
69.38355	5.4
71.04978	1.0
72.08140	0.6
72.71581	0.6
79.05499	7.3
81.03416	0.8
81.07056	40.4
83.04964	0.9
83.33971	0.6
85.02901	4.3
91.05468	2.2
93.07043	13.9
95.04906	0.7
95.08605	7.3
97.02882	1.9
97.06515	1.2
97.10107	0.8
98.21492	0.9
98.97554	1.8
105.07027	2.0
107.08571	2.5
109.02837	0.7
109.06507	1.2
109.10150	5.0
111.08115	0.6
111.11692	0.8
112.02464	0.7
121.06473	1.4
121.10145	18.7
123.08134	0.7
123.11716	4.3
124.07523	0.7
125.05988	4.6
125.09610	0.8
131.08582	0.9
133.10124	1.0
136.07620	0.8
137.05948	1.9
137.09607	1.0
138.05531	0.7
139.11194	8.0
149.05942	0.7
149.09610	2.4
155.10664	0.8
167.10683	5.7
185.11732	100.0
226.08540	0.9
241.09576	1.0
245.03433	0.7
267.09006	1.4
287.10361	0.8
299.08954	0.9
301.11884	1.1
329.10800	0.7
347.12375	5.2
347.15952	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1702
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
55.05516	5.1
57.03437	7.7
61.55939	3.6
67.05501	9.4
69.03423	13.0
69.07059	13.9
70.06588	9.7
71.49261	6.2
72.08163	7.1
73.02930	4.8
75.04482	10.4
79.05497	13.7
81.03409	5.1
81.07070	35.3
83.04984	6.9
85.02892	16.4
86.09695	6.4
91.05484	16.5
93.07046	62.2
95.05024	4.7
95.08610	16.5
97.02898	7.3
98.97604	11.1
105.07036	8.9
107.04951	6.0
107.08592	9.9
109.06546	4.4
109.10141	6.5
111.08073	19.6
115.03912	5.0
116.98673	5.3
119.04934	5.7
119.08599	5.2
120.08135	5.8
121.06483	5.7
121.10149	52.9
123.11746	11.3
127.03957	6.6
131.08574	7.8
137.05949	14.7
137.09645	4.9
139.11197	13.8
143.00189	3.9
147.04434	7.8
149.06006	6.6
149.09604	11.5
157.01860	3.6
167.07164	4.8
167.10689	72.7
169.06396	4.3
185.11729	100.0
192.89548	3.7
193.05098	4.8
226.07867	10.4
237.02950	4.1
278.77957	3.7
288.50235	3.5
298.68643	4.0
301.85928	4.5
347.12036	14.1
347.16306	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	347.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51398	0.5
59.60200	0.4
69.03420	0.8
70.06582	0.4
71.52126	0.4
72.08139	1.2
73.02917	0.6
79.31450	0.4
82.99876	0.5
84.04521	0.7
84.08147	1.3
85.02901	1.3
86.09701	1.0
87.01115	0.5
87.53329	0.4
88.63253	0.4
91.05476	0.8
92.77356	0.4
97.02882	0.5
98.97596	1.3
101.00896	1.5
113.00877	0.9
116.98865	0.6
119.01892	2.2
119.04962	0.8
122.97846	0.7
129.10260	0.6
131.01929	0.9
134.99869	1.1
136.06219	0.5
140.98819	1.0
143.01929	1.8
144.98247	0.7
145.03380	0.6
147.04385	1.9
149.02991	0.5
155.01878	0.6
157.03477	1.4
158.99876	2.4
161.02946	1.7
161.05956	0.6
162.99384	1.6
163.02702	0.5
164.98936	0.6
173.02954	0.8
175.04042	0.7
175.24651	0.5
177.00964	12.4
177.02359	0.5
182.99841	2.8
185.02974	1.3
185.06422	0.5
185.09927	0.5
186.99409	0.6
187.00989	0.4
189.05501	2.0
195.01918	0.5
197.01445	0.6
199.04424	0.4
201.00951	35.6
202.01285	0.6
203.02480	4.7
203.04077	1.1
205.00452	0.9
205.02145	0.6
205.05455	0.5
207.06593	0.6
209.03099	0.7
209.20328	0.4
211.03053	0.7
213.00815	1.0
215.02498	5.5
215.04364	0.5
217.04028	0.9
219.02011	42.9
220.02176	0.8
221.01701	0.5
223.06667	0.8
225.01039	1.9
227.02390	11.7
229.04010	2.5
231.01984	1.9
233.03551	0.6
239.02458	5.5
243.02000	15.3
244.02092	0.5
245.01543	1.1
245.03630	1.6
245.05504	1.0
257.03583	26.4
261.03024	4.3
263.02911	0.5
269.03616	2.0
275.04645	3.6
285.36804	0.5
287.04633	15.5
305.05688	100.0
306.05865	2.3
323.06754	3.6
328.07324	2.1
347.06985	5.8
347.13025	1.1
347.23019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53957	2.3
55.01864	2.7
56.96572	3.4
57.03444	3.6
61.52668	2.5
65.03949	3.7
67.05486	6.0
67.38515	2.3
69.03421	7.9
69.28773	2.6
70.06589	4.5
71.52682	3.6
72.08147	12.3
73.02895	4.1
73.08490	2.9
79.05483	3.1
82.99858	3.5
84.07651	3.5
84.08150	47.0
85.02911	17.1
85.08482	13.8
86.09689	4.3
91.05483	31.8
92.05753	3.0
97.02848	8.4
98.97579	9.1
101.00892	11.8
102.00924	3.0
108.08124	19.1
109.02864	4.5
112.07581	2.9
116.98661	3.5
118.04195	3.7
119.01933	13.5
119.04944	37.8
120.05273	4.5
121.06670	2.5
123.04399	4.5
127.03943	3.8
129.03337	6.4
129.10242	31.7
130.08649	2.8
130.10585	10.4
133.06540	7.5
135.04411	5.2
136.07597	5.4
138.05473	3.2
141.91649	2.8
143.01903	86.5
144.02057	9.4
145.02817	3.1
145.04962	4.3
147.04414	51.4
148.03899	41.9
152.07024	6.6
158.99673	3.7
160.06389	2.6
161.02968	85.3
161.05933	12.3
162.03108	8.4
163.03874	4.3
165.05478	11.2
166.05000	89.6
173.02939	4.7
175.03893	17.7
179.07027	5.8
183.14893	3.4
184.06067	100.0
185.02953	4.7
189.05481	32.8
190.05797	3.1
192.04790	3.3
193.04947	7.9
201.05209	6.8
203.04015	48.9
204.04138	4.7
207.06538	18.6
211.06012	5.3
225.07600	9.1
239.04405	3.2
245.05069	4.8
255.57957	3.8
257.02890	3.8
263.06152	4.4
282.07684	4.2
283.13391	3.6
287.09802	40.2
287.35422	3.0
288.09946	8.5
345.25037	3.1
346.11029	5.0
346.15280	15.1
346.25540	15.3
347.11917	13.9
349.07632	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24197	2.6
50.67757	2.4
51.26246	2.3
55.05505	19.0
57.03425	5.2
58.84921	2.4
59.04999	2.6
67.05505	68.4
69.07082	16.4
70.05511	12.5
70.89333	2.6
71.04984	6.5
79.05501	21.1
81.07056	29.9
83.08603	12.8
87.70812	3.0
90.13496	2.5
91.05470	11.4
93.07049	17.1
95.08615	23.1
97.06519	3.9
97.10156	11.3
98.20889	3.2
105.07045	12.6
107.04979	5.3
107.08585	26.1
109.06522	3.7
109.10162	52.4
111.08102	3.1
112.69955	2.4
117.07072	3.6
119.08579	13.3
120.81015	2.8
121.06561	2.6
121.10151	6.3
123.08058	2.7
123.11707	4.2
125.09610	13.1
131.08583	5.3
133.10129	13.7
135.11722	5.0
137.09625	3.8
147.11684	5.8
149.09625	3.8
149.13246	7.4
155.10657	41.9
159.11700	5.8
171.10141	3.2
173.11745	100.0
173.61661	3.0
174.56471	2.5
177.12698	3.4
189.11183	14.5
195.13774	20.2
197.12985	2.7
213.14865	9.1
257.18903	4.3
275.20071	49.3
293.21121	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	345.2424
Annotation	(+/-)-10-HDoHE
Peak:m/z	Relative Intensity
51.34789	1.1
53.03948	2.0
55.05513	8.3
56.29420	1.0
56.96558	2.4
57.03435	1.2
57.07066	2.1
67.05505	20.7
69.07070	7.3
71.04990	1.8
71.54975	1.8
79.05496	20.6
81.06597	1.7
81.07059	30.4
83.04977	1.3
83.08597	3.4
85.02892	1.9
85.06547	1.8
86.66978	1.2
88.07634	1.2
91.05479	20.0
93.06491	2.3
93.07046	32.9
95.04953	3.4
95.08604	42.0
97.06493	3.5
97.10152	2.6
99.04430	2.4
101.02356	1.4
104.99246	3.1
105.07036	36.3
107.08595	50.1
109.06511	6.4
109.10158	27.1
117.07043	8.4
118.97710	1.2
119.08586	29.8
121.06548	5.6
121.10150	32.4
123.08066	6.4
123.11687	7.1
125.05981	5.8
125.09617	1.9
126.96251	1.3
128.06238	2.4
129.07022	7.0
131.08557	14.6
133.10139	25.8
135.08040	3.1
135.11676	9.1
137.09593	1.3
141.06955	2.4
142.07811	2.3
143.08543	14.1
144.09323	1.7
145.10121	22.2
147.04376	1.4
147.08061	4.8
147.11690	19.5
149.09619	3.5
149.13237	9.1
153.09077	2.7
155.08521	3.5
157.10126	20.3
158.99619	1.2
159.08113	3.0
159.11705	23.9
161.09616	3.5
161.13245	15.4
163.07510	1.4
163.11179	2.9
163.14809	5.0
165.09131	3.0
167.07047	8.7
167.10712	1.7
169.08580	3.6
169.10118	6.3
171.11708	13.0
172.94234	1.2
173.09631	2.4
173.13266	13.6
175.11238	2.7
175.14857	6.4
177.09114	4.0
177.12744	1.8
179.10664	5.1
181.08672	2.0
181.12248	1.7
183.11644	7.5
185.09578	3.0
185.13206	8.7
187.11217	2.5
187.14804	3.5
189.12706	3.3
189.16312	2.5
190.95407	1.6
191.10669	2.1
193.12256	2.6
195.11711	4.0
197.13254	4.9
199.11119	2.4
199.14865	8.2
201.12721	2.7
201.16426	1.6
203.10764	1.8
205.12262	3.7
207.13750	3.3
209.13321	1.8
211.14838	3.5
213.12675	1.9
213.16386	11.4
217.12234	4.6
219.13892	5.6
221.13313	2.0
223.12999	1.4
223.14987	2.0
225.16400	3.7
227.17946	4.6
229.07503	3.0
231.13759	4.4
231.17325	6.4
233.15428	2.8
235.14874	1.9
239.18050	1.5
245.15425	2.2
249.14685	1.5
253.15880	2.6
257.15366	1.7
262.98117	3.5
265.19540	1.9
267.21024	5.6
271.16913	4.0
271.32117	1.3
273.18475	2.6
284.29504	2.0
285.18655	1.6
285.22012	2.2
287.20166	6.1
291.21085	2.2
299.20230	1.8
299.23804	3.1
309.22095	10.8
315.05246	1.7
315.23416	1.8
327.23181	63.9
345.09845	3.9
345.24240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
61.02913	0.6
69.03429	2.1
70.06591	0.5
70.10993	1.1
72.08156	1.0
73.02914	1.0
75.10999	0.4
81.03397	0.8
84.08121	0.3
85.02912	3.4
87.04430	0.5
91.03915	0.4
91.05469	0.8
97.02876	1.4
109.02885	0.4
111.27688	0.4
116.64662	0.4
119.04951	0.9
120.04446	0.7
127.03931	0.9
129.10176	0.4
138.05515	2.2
143.01915	0.6
147.04405	0.7
148.03935	42.0
157.03493	0.4
157.08170	0.4
166.05006	83.4
172.23708	0.4
174.03761	0.6
184.06059	100.0
185.06572	0.4
189.05501	1.0
205.05472	0.5
207.06560	0.4
219.01862	0.7
223.06660	0.4
257.03238	0.4
264.57831	0.5
305.05725	1.7
305.11108	0.5
346.11264	5.1
346.15009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78608	0.5
53.03935	0.7
55.01865	0.5
59.28727	0.5
65.03948	0.6
67.05511	2.2
67.05793	0.4
68.05029	0.7
69.07064	4.5
69.33316	2.1
69.33751	1.8
80.04996	1.1
81.07082	0.5
84.08098	0.6
85.02879	0.4
89.03905	0.8
93.05769	1.0
94.06570	14.1
95.04958	2.0
97.06520	1.0
108.08109	1.5
110.06029	1.7
112.07635	2.3
116.04977	5.8
122.06028	27.1
122.69094	0.4
123.04446	0.8
124.07592	0.9
136.07547	0.5
137.06006	3.4
140.07069	39.1
141.07819	1.1
144.04443	12.2
146.06000	8.3
148.07599	0.7
158.72842	0.4
162.05493	5.4
172.03932	58.8
173.04568	0.6
174.05530	4.1
178.08620	1.1
179.35025	0.5
190.05003	2.7
192.06720	0.4
204.06560	100.0
205.07172	1.1
206.08128	18.2
237.00102	0.5
286.10052	0.5
300.12299	1.2
313.11823	3.2
317.55911	0.5
327.13226	1.6
328.11743	0.6
331.12769	2.6
345.10391	0.7
345.14423	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	345.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.3
60.96981	1.6
61.02922	1.8
67.05503	3.7
69.03429	2.6
69.07073	11.1
69.71792	3.4
69.72203	6.1
70.06585	1.8
71.04999	2.2
72.08169	1.8
73.02921	8.4
79.05483	4.7
79.94902	1.5
81.07053	12.5
83.08622	6.4
84.66193	1.4
85.02895	3.1
85.06538	3.9
91.05478	2.6
93.07037	9.6
95.08598	21.9
97.10176	3.8
98.20800	2.5
99.08089	22.4
105.07014	3.4
107.08598	30.1
109.10118	8.7
111.08101	8.0
117.83717	1.5
121.10144	49.0
125.09635	5.6
125.15358	1.8
131.78728	1.5
135.11678	8.6
137.05978	4.4
137.13237	6.0
141.98260	1.5
149.13312	3.9
159.04460	1.8
160.52403	1.5
177.16386	100.0
183.08038	2.7
190.54872	1.5
195.17453	20.2
204.06584	2.5
213.18501	45.3
263.38339	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
55.07958	0.4
65.03929	1.0
67.05505	3.1
68.05016	1.0
69.03437	0.9
69.07065	4.3
69.77677	2.7
70.06589	0.8
70.32921	0.4
79.05479	1.6
80.05000	1.1
81.07052	1.0
84.08144	1.1
85.02919	0.7
85.06508	0.6
86.09705	1.5
86.65450	0.4
89.03901	0.9
91.05462	1.1
93.07043	1.1
94.06574	13.4
95.04966	1.8
95.08581	0.5
96.04464	0.7
97.06519	1.0
97.83701	0.4
98.20766	0.9
105.07039	0.5
107.04942	2.7
107.08585	0.8
108.08101	1.4
110.06033	2.3
112.07597	2.5
116.04980	5.9
118.06545	1.5
122.06030	26.2
123.04401	1.2
123.08076	0.4
124.07526	0.6
134.06010	0.5
137.05971	2.7
140.07065	37.0
141.07747	0.8
144.04448	14.9
146.06007	9.0
147.04361	0.4
148.07571	0.5
149.06049	0.7
162.05499	6.3
167.07042	2.1
172.03935	56.7
174.05511	4.1
178.08650	1.2
179.08568	0.4
183.10144	0.6
190.05006	2.0
192.06459	0.6
195.12914	0.5
204.06561	100.0
205.06912	1.1
206.08121	18.5
262.09705	0.5
285.11334	0.5
300.12344	1.3
313.11893	2.4
327.13446	1.4
328.11603	0.6
331.12897	2.9
345.14490	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.05502	0.9
56.96562	3.8
67.05517	3.3
68.05001	1.9
69.03425	0.8
69.07069	6.3
69.41655	3.4
71.04968	1.0
79.05485	1.1
80.05001	1.1
81.07043	1.3
84.08092	0.5
84.96023	0.5
85.02908	0.9
86.09697	0.7
89.03908	2.6
91.05486	0.6
93.07056	0.8
93.99764	0.6
94.06575	14.6
94.07136	0.6
95.04952	2.0
95.08601	1.6
97.06478	0.7
98.97604	2.9
99.08122	0.5
101.00761	0.5
107.08582	1.0
108.08096	1.5
109.02873	0.6
109.10150	0.8
110.06038	2.1
112.07590	2.2
116.04974	6.7
117.03379	3.1
117.05639	0.5
118.06514	1.1
121.10120	1.9
122.06033	27.1
123.04434	1.6
134.06029	0.6
135.04425	2.6
137.02303	0.8
137.05975	1.3
140.07068	38.3
141.07832	0.6
144.04448	14.6
145.02847	8.4
146.06018	9.8
147.06837	1.0
148.07520	1.1
149.05978	1.4
149.13252	0.6
162.05515	7.5
163.07471	0.7
172.03934	56.3
173.04634	0.7
174.05562	3.9
177.05475	17.8
177.16379	4.8
178.05823	0.8
178.08578	1.4
190.04930	1.4
192.02235	0.5
192.98090	1.5
195.06439	0.9
195.17531	0.9
204.06561	100.0
205.07039	0.8
206.08131	18.9
210.99191	2.2
213.18463	1.8
229.00209	2.5
234.99074	0.6
240.10304	0.6
247.01192	0.5
250.01608	0.7
251.02274	1.9
253.00246	2.4
269.03394	0.7
271.01303	3.3
275.04926	1.4
283.04672	1.0
293.03281	1.1
295.06549	1.4
300.12283	2.1
304.07108	2.1
304.57123	0.9
307.04755	0.7
311.04291	1.4
313.11673	2.5
327.13013	1.0
331.12866	2.4
335.04401	1.0
345.05997	0.8
345.14395	4.8
353.04813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.0
55.01868	4.7
55.05515	7.0
57.03446	9.3
67.05507	26.7
69.03410	3.5
69.07068	34.8
71.05003	11.4
71.56129	1.8
73.02912	2.9
79.05493	27.5
81.03418	11.5
81.07054	24.7
83.04984	6.5
83.08622	3.9
91.05477	15.1
93.07045	22.9
95.04967	16.9
95.08614	14.7
97.06531	100.0
97.10199	1.6
99.08099	3.6
105.07024	13.3
107.04950	4.7
107.08601	13.0
107.79471	1.2
109.06510	9.9
109.10165	7.3
111.08098	1.5
113.06004	1.6
114.62149	1.5
115.07571	24.4
117.07028	7.6
119.08609	8.9
121.06517	4.3
121.10160	5.4
123.08060	1.8
125.09615	1.5
129.07025	2.6
131.04987	1.2
131.08574	10.0
133.06667	1.5
133.10150	11.3
135.08046	3.6
135.11674	5.1
143.08563	2.7
145.10144	6.1
147.08113	1.3
147.11722	4.6
149.09656	2.0
149.13245	4.7
151.11230	2.9
155.08612	1.6
157.10181	3.8
159.11678	7.9
161.09634	3.1
163.11250	1.8
165.08954	1.3
169.10094	1.6
171.11678	2.1
173.13182	2.3
175.11308	1.6
175.14801	1.4
177.12729	6.7
183.11736	1.5
187.11133	1.4
189.12791	1.4
195.12119	1.2
195.13834	7.7
201.12683	1.9
217.15912	1.6
219.13715	1.7
223.13295	4.5
245.19038	1.9
263.20123	1.6
273.18521	4.0
291.19617	6.4
344.22665	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59253	3.0
53.03946	4.0
53.05865	2.9
55.01866	5.9
55.05505	13.7
56.96561	6.0
57.03438	23.9
67.05504	56.0
69.03423	6.1
69.07075	80.1
69.18208	35.7
71.04989	33.7
73.02910	5.7
79.05501	54.4
79.05932	6.8
81.03419	42.7
81.07059	64.3
83.04987	11.2
83.08623	11.6
85.06519	6.7
91.05487	36.0
93.07052	42.4
95.04974	49.4
95.08598	30.3
97.02892	4.8
97.06528	100.0
97.10162	3.9
98.97604	4.9
99.08096	11.4
105.07024	27.9
107.04952	14.1
107.08599	28.4
109.06529	27.1
109.10154	10.6
111.08124	4.8
113.06058	5.1
115.07579	38.9
117.07032	21.2
117.92327	3.2
119.08579	21.8
121.06522	11.7
121.10152	18.2
125.09645	5.5
129.07030	10.0
131.08571	18.9
133.06514	4.3
133.10150	20.1
135.08093	12.0
135.11690	13.6
143.08565	7.6
145.10083	17.5
147.08032	5.8
147.11694	6.7
149.09587	5.3
149.13306	8.4
157.10121	12.0
159.11693	13.7
160.67412	3.4
161.09647	6.4
163.11185	6.1
163.13220	3.3
169.10197	4.3
173.13246	8.3
175.11072	4.8
177.12794	8.6
183.11670	3.8
195.13828	10.1
205.12280	4.9
217.15822	6.1
223.13348	12.7
229.10460	3.9
233.15305	4.9
245.18886	4.1
263.19983	4.7
273.18481	15.0
291.19513	11.8
322.79654	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.9
55.01855	14.1
55.05513	85.3
57.03425	21.1
61.38006	7.5
66.24331	6.8
67.05499	75.1
67.50288	7.5
68.05006	8.6
69.03438	18.5
69.07059	28.4
69.24921	49.0
69.25325	19.8
70.88304	8.4
71.01404	8.5
71.04989	19.6
71.60639	7.3
74.09554	8.0
75.00965	6.8
79.05511	91.0
79.74558	7.2
81.03407	27.9
81.07061	62.2
83.08610	35.5
85.06545	9.0
88.07623	10.8
91.05460	38.7
93.07045	100.0
95.04961	34.0
95.08623	43.1
96.08125	11.7
97.06519	14.7
97.10164	61.3
105.07016	32.3
107.04947	13.9
107.08591	46.2
109.06512	15.3
109.10161	16.5
112.07642	9.3
113.06017	44.9
117.07063	9.0
119.08582	21.6
121.06452	8.9
121.10159	42.3
123.08079	28.1
125.09638	48.3
131.08553	11.3
133.10141	9.0
135.08046	17.2
135.11658	17.6
145.10109	9.8
147.11731	13.3
149.13333	9.5
159.11682	9.8
161.09639	10.6
187.11183	9.3
189.11182	60.1
204.52805	9.3
212.16435	25.2
221.15385	14.6
223.13304	38.7
224.02078	8.0
273.18533	20.2
291.19611	44.0
308.22153	14.9
309.20663	16.2
326.23325	19.6
344.24203	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46486	4.2
55.05515	20.9
56.96570	10.3
57.07062	16.0
67.05524	27.3
69.03391	5.6
69.07074	44.3
69.43619	14.9
69.44030	16.6
71.08633	9.4
78.60863	4.6
79.05478	16.8
81.07062	100.0
83.08612	17.1
91.05495	12.7
93.07056	29.6
95.04942	7.2
95.08611	92.3
97.06557	7.1
97.10164	18.7
105.07037	14.2
107.08611	30.9
109.06573	5.9
109.10157	46.0
111.08086	5.5
111.11726	7.6
119.08587	14.0
121.10181	25.7
121.10959	4.0
123.08086	4.8
123.11706	25.9
133.10062	5.2
135.11707	11.2
137.13271	10.8
145.10120	9.8
147.11620	5.0
149.13245	19.2
151.14716	7.3
158.25891	4.8
161.13289	5.2
163.14803	10.6
187.14775	5.3
191.18086	6.3
235.44757	4.3
240.23293	6.3
261.25742	8.7
279.26807	8.2
289.25467	8.1
307.26364	30.4
325.27481	11.2
343.22559	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	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55641	0.3
54.69181	0.3
55.01868	0.5
56.23493	0.3
57.03440	1.0
61.02927	1.5
65.84000	0.4
69.03432	3.4
69.79047	1.0
69.79448	1.2
70.06608	0.6
73.02939	0.8
80.39509	0.3
81.03432	1.4
85.02908	18.1
91.03986	0.8
91.05476	4.3
97.02887	3.5
99.04471	0.8
102.96885	0.4
109.02882	1.8
116.07095	1.0
119.04942	16.0
123.03629	0.4
123.04411	2.1
127.03918	2.9
145.04941	4.4
145.05888	0.5
147.04410	100.0
148.04703	0.4
165.05478	59.2
167.71254	0.4
180.08705	2.0
182.08102	1.2
309.09521	0.4
330.12140	0.4
344.13501	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01871	9.5
55.05513	28.3
57.03440	31.6
57.07067	4.5
64.19289	2.6
67.05174	5.2
67.05507	56.4
69.03424	13.2
69.07072	49.5
69.31853	24.5
71.05001	41.1
73.06531	2.8
79.05065	5.2
79.05498	61.4
81.03420	30.1
81.07062	100.0
83.04996	18.3
83.08626	9.7
85.02898	11.1
85.06538	10.6
91.05489	32.8
93.07050	55.0
95.04968	30.3
95.08618	42.8
97.06548	30.3
97.10168	11.3
98.20738	5.5
99.08094	31.9
105.07046	25.2
105.51878	3.0
107.04944	7.3
107.08603	36.6
109.06533	39.5
109.10146	12.3
111.04445	3.6
113.06004	8.9
115.05463	3.6
115.07565	7.2
117.07033	13.6
119.08597	25.3
121.06522	15.8
121.10166	32.9
123.08074	39.8
123.11767	3.6
125.06002	5.1
125.09637	20.2
127.07568	17.9
129.06987	5.5
131.08595	22.3
133.10121	13.3
135.08034	4.6
135.11697	9.5
137.09627	4.1
139.11203	15.9
141.09102	4.7
143.08514	6.6
145.10110	13.5
147.08014	5.4
147.11681	13.8
149.09596	11.6
149.13388	3.6
151.07515	4.5
153.09152	8.3
153.12718	3.5
157.10179	4.3
158.99692	5.5
159.11743	16.4
161.09608	7.7
163.11157	8.9
167.10689	8.2
173.13313	4.6
175.11154	3.8
177.12775	10.8
183.11598	3.1
185.11678	4.2
187.11208	10.0
201.12628	4.2
203.12755	5.3
205.12245	8.3
211.16969	3.8
221.15370	13.2
223.13277	3.6
237.14790	6.5
265.24432	3.1
273.18585	8.1
275.72855	3.3
291.19568	10.9
344.23260	5.6
365.33823	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	343.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.4
53.94206	2.0
55.01868	2.8
55.05522	11.4
56.96556	4.9
57.03428	7.0
57.07090	4.1
59.04995	4.9
60.20437	2.2
65.03936	3.2
67.05511	23.0
69.03422	10.1
69.07062	7.3
69.91744	2.1
69.96363	2.6
71.05009	17.6
71.05349	4.1
79.05504	18.3
79.87731	2.1
81.03405	2.8
81.07072	23.5
83.04971	4.1
83.08621	4.1
85.06573	3.6
91.04991	2.5
91.05497	27.4
93.07055	57.6
95.04974	40.2
95.08611	67.1
97.06554	12.7
98.21574	3.7
105.07037	59.7
105.59422	2.4
107.08598	46.0
109.06509	9.5
109.10157	6.7
115.05447	4.4
116.98754	2.2
117.07023	28.5
119.08601	25.8
121.06513	13.9
121.10128	13.7
123.08069	20.0
126.33733	2.1
128.06207	3.5
129.07045	3.4
130.07784	10.4
131.08586	8.7
131.34810	2.8
133.06516	6.0
133.10156	12.0
135.08043	19.2
135.11697	14.2
137.09634	3.9
142.07832	3.3
143.08578	7.7
145.10130	56.9
147.08035	10.5
147.11716	3.8
149.09631	3.9
151.07544	34.1
153.09103	3.2
157.10110	8.3
159.08023	2.5
159.11679	7.6
161.09628	10.2
163.11186	54.1
165.09082	14.1
171.11653	3.7
173.09630	3.3
173.13266	3.3
177.09117	7.8
179.07013	4.7
181.12268	3.7
183.11588	2.7
187.11121	4.4
189.12752	7.7
197.13309	4.1
203.14391	6.1
207.13766	5.7
209.15565	2.7
215.14397	2.4
221.15363	26.4
227.14384	2.4
240.23152	3.1
241.16031	2.6
263.16547	7.2
286.19174	3.1
287.20212	2.5
323.60120	2.7
325.21582	11.6
343.22672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01874	2.3
55.05495	2.2
57.03426	4.5
57.07084	1.6
57.09939	1.1
61.02927	6.9
69.03086	1.8
69.03436	22.2
70.85921	2.4
70.86239	1.7
71.04999	2.1
73.02910	2.9
79.05486	3.9
81.03411	11.4
81.07050	5.1
83.04993	11.1
83.08581	1.1
85.02908	52.8
87.04475	3.2
91.03952	4.2
91.05484	3.1
93.07050	6.3
95.04966	26.6
95.08595	1.4
95.85178	1.1
97.02890	17.3
97.06544	5.5
99.04430	4.5
105.06995	5.6
107.04953	1.6
107.08596	13.4
109.02879	5.3
109.06507	3.9
117.07043	2.9
119.08575	3.7
121.06516	4.0
121.10146	10.5
125.05999	29.0
127.03931	11.3
130.07742	1.7
135.08046	4.5
135.11693	5.5
136.24265	1.2
137.06058	1.5
145.04968	16.6
145.10127	14.5
147.11676	2.1
163.06062	1.7
163.07492	3.4
163.11183	100.0
165.12733	7.8
167.07101	1.6
181.04956	4.9
181.08601	8.8
181.12233	34.8
183.10287	1.4
223.13300	2.4
307.15460	2.3
343.13702	2.2
343.17471	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03951	4.0
55.01866	2.4
55.05507	10.4
57.03424	4.8
57.07068	8.0
59.04979	2.5
67.05231	1.8
67.05513	21.1
67.31931	2.0
69.03416	6.1
69.07061	5.4
71.05011	13.0
79.05499	17.8
81.03384	1.8
81.07066	24.4
83.04993	4.9
83.08636	3.3
85.06540	4.7
91.05483	24.0
93.06487	3.4
93.07050	46.3
95.04976	41.6
95.08617	58.8
96.97553	1.7
97.06529	10.3
100.90932	1.6
103.05461	2.6
105.07039	58.1
107.04968	4.3
107.08604	38.3
109.06514	11.9
109.10156	3.9
111.08044	2.5
115.05463	4.5
117.07024	23.2
119.08588	19.8
121.06515	10.2
121.10168	14.8
123.08071	18.8
125.06026	3.1
128.06232	2.4
129.06972	4.5
130.07823	11.0
131.08575	9.0
133.06468	4.5
133.10153	15.2
135.08069	19.9
135.11688	9.3
137.05936	2.2
137.09634	3.4
142.07745	3.7
143.08585	8.3
145.10136	64.8
147.08037	9.4
147.11720	5.0
149.09586	3.9
151.06447	3.3
151.07556	35.2
152.46265	1.7
153.09108	2.9
156.09367	2.9
157.10144	7.0
159.08061	2.6
159.11722	7.2
161.09616	6.4
161.13268	3.9
163.11197	53.9
164.50146	1.9
165.09114	12.1
169.10118	2.2
171.11768	4.1
173.09654	3.1
173.13239	3.6
175.11237	5.3
177.09154	3.6
179.07062	3.2
181.12294	2.2
182.10847	1.9
183.11754	3.8
185.13336	2.2
187.11118	2.5
189.12718	10.2
195.11615	2.0
197.13322	3.9
201.12776	2.3
203.14395	9.0
207.11819	2.3
207.13771	4.6
209.15349	2.0
215.14372	3.0
217.12177	2.1
221.15408	27.4
225.12614	2.0
225.16620	2.1
233.15540	2.1
237.36371	1.7
245.15359	2.4
257.15390	1.6
263.16498	6.2
269.15482	2.7
282.11453	1.8
286.19153	3.4
287.16693	2.8
287.20035	2.1
287.81699	2.4
307.20923	2.0
325.21631	10.8
343.22699	100.0
367.83908	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.43100	1.3
53.03929	4.0
55.01851	4.0
55.05309	1.2
55.05513	12.3
56.96548	1.6
57.03437	7.2
57.07057	5.5
59.04990	5.5
61.35777	1.2
64.85755	1.4
67.05510	20.8
69.03418	7.5
69.07060	6.6
69.63859	7.8
71.04993	13.3
77.03938	1.5
79.05492	16.4
81.03408	3.3
81.07066	20.6
81.50707	1.7
83.04984	7.2
83.08611	3.7
85.06535	3.0
91.05483	26.4
93.07049	53.8
95.01565	1.3
95.04382	2.6
95.04973	44.9
95.08607	61.6
97.06524	13.3
103.05448	2.5
103.45941	1.5
105.07036	64.0
107.04964	1.8
107.08595	39.3
109.06522	13.7
109.10161	7.5
115.05453	5.3
117.07025	23.6
119.08576	21.0
120.61191	1.3
121.06510	12.3
121.10161	15.8
123.08068	21.4
125.05957	3.1
128.06200	2.5
129.06995	5.8
130.07773	11.4
131.08568	10.6
133.06490	4.1
133.10133	15.4
135.08061	18.0
135.11716	10.1
137.05959	2.4
137.09596	4.4
141.06985	1.9
142.07794	3.5
143.08508	7.7
145.10121	65.4
147.08055	11.3
147.11699	5.1
149.09598	5.4
151.06464	2.4
151.07559	37.3
153.09102	2.9
155.08527	3.5
155.10677	3.2
156.09390	2.7
157.10159	10.5
159.07983	3.4
159.11697	7.9
161.09599	7.7
161.13280	2.8
163.07420	1.5
163.11179	49.1
165.09103	11.1
166.12920	1.4
167.08542	2.1
169.10121	4.8
171.11685	6.5
173.09627	3.9
173.13295	2.6
175.11150	6.6
177.09138	4.1
179.07082	3.8
181.12251	2.7
182.10957	1.8
183.11684	3.9
185.13260	2.9
187.11169	5.7
187.14769	1.7
189.09184	2.3
189.12738	9.8
189.16438	2.6
191.10597	1.7
191.14304	3.4
193.10159	1.9
197.13242	4.7
199.11223	1.7
201.12831	2.0
203.14384	8.3
203.16028	1.3
207.10069	3.2
207.11818	3.3
207.13853	5.3
209.13374	2.6
209.15384	5.0
215.14288	3.7
217.12239	1.8
221.15363	26.3
223.14816	3.2
225.16360	1.6
233.15367	3.6
241.16074	2.5
243.13812	2.5
247.16995	1.7
263.16452	9.1
267.17264	1.8
269.15405	2.8
286.19379	3.8
295.38104	1.6
307.20459	2.9
325.21500	13.3
343.22690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.75607	1.4
53.03941	3.1
55.01869	3.7
55.05510	12.5
57.03423	5.1
57.07061	5.3
59.04998	4.2
65.03942	3.0
67.05510	17.4
69.03434	7.8
69.07064	5.8
69.73360	7.9
71.04993	16.5
77.03897	1.6
79.05487	22.2
81.07051	22.2
83.04974	4.8
83.08617	3.4
85.06560	3.6
91.05483	29.5
93.07040	60.9
95.04966	43.4
95.08605	54.6
97.06534	16.7
103.05485	2.6
105.04626	1.7
105.07032	70.4
107.08591	48.3
109.06516	16.0
109.10147	4.8
115.05470	4.3
117.07016	24.6
119.08572	23.6
121.06501	12.3
121.10146	15.3
123.08067	23.3
125.06004	2.6
125.09615	2.3
128.06221	3.7
129.06982	4.5
130.07767	10.4
131.08560	7.0
133.06479	3.8
133.10114	15.3
135.08043	21.3
135.11670	10.7
137.09593	3.7
142.07742	2.5
143.08540	12.1
145.10124	64.5
147.00192	1.6
147.08017	10.4
147.11691	5.9
149.09578	3.9
151.07536	39.2
153.09123	4.5
155.08528	2.1
156.09402	3.4
157.10126	11.7
159.08051	2.7
159.11713	9.1
161.09619	7.4
161.13234	4.1
163.07520	2.0
163.11188	54.1
165.09117	12.7
169.10112	5.7
171.11667	7.2
173.09593	4.8
173.13234	3.3
175.11180	5.3
175.14729	2.3
177.09119	4.2
179.07048	3.7
181.10152	2.9
181.12195	2.9
183.11604	4.6
185.09775	2.0
185.13231	2.8
187.11177	5.2
189.12732	7.3
191.14314	4.1
193.10056	1.8
195.11716	3.7
197.13306	4.1
203.14291	7.4
207.10117	2.1
207.13824	6.0
209.13429	2.3
209.15375	6.2
215.14177	2.9
217.12231	4.0
221.13341	1.7
221.15358	28.3
223.14813	2.7
225.16278	1.9
227.14070	1.8
233.15405	3.3
237.92612	1.6
241.15834	4.3
249.16347	1.9
252.22147	1.6
263.16431	6.2
266.38138	1.8
267.17542	1.9
269.15387	5.2
274.18881	2.0
286.19324	3.3
287.16391	2.0
287.19919	2.3
307.20529	2.4
325.21573	11.4
343.22668	100.0
344.22604	2.1
361.74020	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94168	5.6
53.03938	11.8
55.05507	48.7
57.03442	41.7
62.95084	5.6
67.05181	9.0
67.05508	90.2
67.50240	6.9
69.03427	8.4
69.07067	48.1
69.70164	30.6
71.04990	22.8
72.90083	5.9
79.05502	83.4
80.57946	5.7
81.03424	9.3
81.07057	89.9
83.05011	30.8
83.08626	34.2
85.06525	8.8
91.05487	54.5
93.07045	96.3
95.04971	19.3
95.08611	63.1
97.06535	33.2
97.10158	28.4
98.20747	7.8
98.83603	7.1
105.07051	59.4
107.04975	9.4
107.08605	100.0
109.06528	14.7
109.10159	37.0
111.08038	14.8
117.07027	25.1
119.08593	44.0
121.10161	52.9
122.49385	6.1
123.11674	7.1
125.09626	24.7
129.06969	8.2
131.08554	34.2
133.10130	34.7
135.08057	12.7
135.11697	18.1
137.09598	7.3
139.11188	21.6
143.08586	8.0
145.10121	27.9
147.11667	23.0
149.09605	18.7
149.13289	9.3
149.79057	5.5
153.09138	6.6
155.08650	5.7
159.11655	22.1
161.13307	13.6
163.11166	14.6
171.11681	7.8
173.11783	7.1
173.13216	14.8
175.14856	8.6
181.12254	9.8
185.13307	7.6
187.14763	8.1
189.11142	6.9
189.12747	9.6
195.13770	13.7
203.12750	13.5
203.14413	8.0
211.37207	5.6
213.88596	5.5
219.17407	10.9
233.15350	6.8
238.19569	5.8
239.17909	9.3
243.00269	9.0
257.19049	8.5
275.20123	56.4
285.33655	5.8
300.52057	6.8
307.52618	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	342.3005
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
53.26973	1.0
55.05515	7.6
57.03433	1.6
57.07081	6.6
62.06093	100.0
65.06096	1.0
67.05508	14.6
69.07074	8.3
70.06596	1.2
70.11551	1.4
71.08624	5.0
79.05479	4.8
81.07066	14.2
83.08609	5.2
85.10175	1.3
91.05468	2.2
93.07049	3.2
95.08619	10.9
97.10167	3.2
98.97585	1.4
105.07008	1.8
107.08580	2.4
109.10141	5.6
116.98633	1.2
119.08586	2.4
121.10145	1.6
133.10115	2.6
135.11603	1.4
137.05977	2.1
175.14870	1.3
198.14851	3.2
200.16449	3.7
216.16093	2.8
229.38914	1.7
233.05917	1.9
245.22552	1.8
263.23785	1.6
264.11157	1.4
286.87747	1.3
292.10464	1.7
306.27750	1.2
307.26276	1.8
324.28973	46.0
325.27402	4.4
342.30042	14.6
343.18677	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.0
57.07079	6.2
58.06596	1.0
61.42353	0.2
61.55602	0.3
61.66947	0.3
61.71080	0.3
62.05850	0.2
62.06092	2.9
63.14505	0.3
67.05499	1.5
69.07064	1.0
70.94431	0.5
71.04981	0.8
71.08636	3.8
72.08153	1.3
77.00852	0.3
78.79877	0.3
79.05479	0.9
81.07050	1.6
83.08616	0.9
85.10182	0.5
91.05482	1.0
93.07056	1.6
95.04971	0.5
95.08615	1.4
97.06520	0.6
98.97639	0.3
102.95962	0.3
105.07047	1.2
107.08582	1.0
109.06501	0.8
109.10135	0.5
111.08084	0.4
117.07020	0.3
118.06712	0.3
119.08585	0.9
121.10153	0.9
123.08054	0.3
129.07066	0.4
131.08565	0.6
133.10095	0.6
137.06001	0.4
137.09587	0.3
139.11171	0.3
143.08562	0.3
145.10135	0.6
147.11687	1.3
149.09619	0.5
156.17447	1.7
159.11792	0.3
161.13260	0.4
161.27403	0.3
171.11594	0.3
173.64951	0.3
174.18542	4.5
189.12854	0.4
202.21735	0.3
206.19667	0.2
207.13895	0.3
212.23741	1.3
230.24844	4.2
268.37927	0.3
275.19861	0.6
298.34888	0.4
324.13144	0.3
324.36270	1.0
342.37320	100.0
343.37595	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1727
Annotation	Sorbistin C
Peak:m/z	Relative Intensity
55.05504	0.4
56.59663	0.4
69.03420	0.6
69.07070	0.5
70.06590	0.7
70.20752	1.2
70.76067	0.4
81.03411	1.3
81.07082	0.7
81.12885	0.4
85.02903	1.3
86.09701	0.9
91.05455	1.3
93.03382	0.5
93.07091	0.6
95.04990	0.5
97.02853	0.7
98.21394	0.5
98.97575	0.5
105.07045	0.6
109.02867	0.4
116.07083	0.9
119.04945	0.8
125.06028	0.5
137.05972	0.6
140.04683	0.6
140.39339	0.5
147.04420	5.9
153.05525	0.4
155.07120	0.4
163.11154	0.5
179.06956	0.6
181.04953	6.9
181.08614	1.0
253.03896	1.2
271.04810	1.4
281.06860	0.6
295.04962	1.1
299.14590	2.3
325.09299	0.5
325.12469	0.5
325.16217	9.7
343.17291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26099	1.0
57.03440	5.3
61.02908	1.5
62.10412	1.0
69.03419	3.4
71.04975	2.3
71.08627	6.0
71.55430	1.6
79.05479	1.5
81.03414	2.0
81.06657	1.1
81.07060	13.9
82.29915	1.0
85.02906	13.2
85.06537	1.1
91.03983	1.1
91.05457	2.0
96.50558	0.8
96.74345	1.0
97.02887	4.6
98.97591	1.4
99.08098	17.2
109.02862	0.9
109.06520	19.5
111.47635	0.9
117.09129	100.0
119.04924	1.5
127.03907	2.2
127.07548	41.4
145.04936	3.8
145.08629	1.7
147.04390	2.0
152.68242	1.2
163.03879	4.3
163.09648	28.7
179.03371	1.5
180.03706	1.0
180.06578	1.0
180.08626	4.9
180.12311	5.7
189.05521	1.9
207.06477	1.3
266.99731	1.0
321.47266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.6
55.01861	14.9
55.05508	66.4
55.38839	6.9
56.96556	19.1
57.03426	21.8
59.02613	7.6
60.09415	6.6
61.02907	12.1
62.08585	7.2
65.03936	8.2
67.05505	67.6
69.03419	18.0
69.07054	32.8
71.04983	13.6
71.35426	9.9
71.35762	6.0
79.05137	5.9
79.05497	54.1
81.03396	29.3
81.07057	41.9
83.04980	15.1
83.08630	38.0
85.02892	23.6
85.06540	8.1
90.39095	6.8
91.05473	43.3
93.07043	34.5
95.01316	14.1
95.04955	38.6
95.08595	21.7
97.06507	31.2
97.10174	45.9
105.07008	36.3
106.96122	7.2
107.04921	27.3
107.08585	26.6
109.02841	13.8
109.06512	18.8
109.10130	12.3
111.04449	9.9
115.05473	7.8
115.07526	7.3
117.07036	9.4
119.08547	29.3
120.08088	6.8
121.02885	33.2
121.06471	18.3
121.10151	11.8
123.04436	11.7
125.09637	43.9
129.06975	10.6
131.04860	9.3
131.08574	16.7
132.05193	10.7
133.06471	8.4
133.10167	12.8
135.04393	19.8
135.08035	23.8
136.04758	11.5
137.05930	17.4
144.05562	7.4
145.10109	11.8
147.08064	10.4
147.11662	22.1
157.10146	16.6
159.08046	100.0
159.11647	9.2
161.09686	7.0
163.07581	12.1
173.09589	12.2
175.11124	13.7
185.09541	13.3
189.11273	49.7
193.12209	30.1
197.09660	7.9
211.13293	14.0
212.66885	6.8
221.11687	46.3
237.14798	24.4
239.12672	25.0
247.13263	22.8
253.15884	14.8
255.08955	14.6
264.11124	7.9
267.08908	7.7
271.16931	22.2
285.09879	17.2
289.17834	40.0
292.10556	16.9
324.12909	11.2
331.62393	7.2
342.13962	32.5
342.21411	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	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.6
55.01860	11.7
55.05518	18.0
56.96560	6.4
57.03423	10.0
61.02929	2.8
63.15265	2.7
67.05507	68.4
67.14777	3.1
69.03421	8.4
69.07071	22.9
69.60673	7.6
69.61108	10.5
71.04992	14.4
79.05498	35.1
81.03399	8.1
81.07058	54.3
83.04963	11.3
83.08619	5.3
85.02914	4.7
85.06535	14.2
91.04974	4.4
91.05485	48.2
93.07049	35.7
95.04980	13.9
95.08601	17.0
97.02919	2.7
97.05924	4.7
97.06530	87.5
97.10148	4.1
99.04427	5.9
99.08067	3.5
105.07030	53.2
107.04942	6.6
107.08591	46.3
109.06541	14.9
109.10149	73.7
111.04384	3.5
111.08086	21.8
113.05994	9.1
116.98500	2.8
117.07014	5.8
119.08567	11.6
121.06491	4.0
121.10124	6.8
123.08042	3.4
123.11711	12.9
125.09622	4.1
125.37022	2.5
126.16210	2.5
127.07556	5.9
129.07010	4.6
131.04848	3.6
131.08575	11.0
133.06490	5.6
133.10132	100.0
135.08055	4.6
135.11658	5.7
137.06007	8.6
137.09534	4.2
145.10147	7.5
149.09619	8.6
151.11188	45.7
157.10117	3.8
159.08034	4.8
161.09605	5.2
163.11179	3.2
169.10046	4.5
169.12212	10.5
173.09599	3.6
173.13242	6.4
174.12044	2.6
175.11240	4.5
191.10643	3.5
217.15556	2.6
221.11671	5.4
225.12910	2.9
233.15376	4.7
240.23325	6.7
249.14812	4.8
255.08926	7.2
261.18527	4.9
267.09091	3.0
271.16876	5.6
280.68173	2.6
285.09903	4.5
289.17886	17.4
292.10544	5.3
307.18961	9.0
307.22443	2.7
310.52893	2.7
324.12897	3.2
325.20108	2.5
342.14151	4.5
342.21359	3.1
342.24936	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	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46092	4.2
53.03908	4.6
55.01869	15.6
55.05507	27.5
55.76536	4.0
56.96549	5.9
57.03437	17.4
66.75496	3.5
67.05516	27.9
69.03441	4.6
69.07075	9.8
71.01381	4.4
71.05017	5.4
71.53599	6.0
74.39427	3.7
79.05495	20.8
81.03426	16.4
81.07055	35.1
83.01343	9.4
83.04987	24.7
83.08626	23.0
85.02914	9.2
91.05485	15.5
93.07049	26.3
94.87791	4.0
95.04974	10.5
95.08595	10.8
97.06548	21.1
97.10157	11.6
98.97591	4.1
99.04474	4.7
104.40942	3.9
105.07040	9.3
107.04962	11.3
107.08624	14.7
109.06533	7.6
109.10178	12.8
111.04472	25.4
111.08083	9.1
117.07037	6.2
119.08628	13.2
119.34453	3.6
121.06519	6.1
121.10151	13.2
123.08072	7.1
125.09638	7.0
128.06216	4.4
131.08565	10.7
133.10085	7.0
135.11694	16.9
137.06009	12.1
138.06313	8.1
145.09126	5.5
145.10109	26.0
147.08054	4.7
153.12758	11.8
155.08615	5.4
159.08138	4.8
161.01082	5.3
163.11185	50.9
173.09648	7.8
181.12204	26.8
189.11256	5.2
191.10680	27.1
209.11720	97.3
227.12781	100.0
237.64972	5.0
260.88934	3.9
285.10095	6.4
289.18030	28.3
293.08542	5.0
307.19067	46.3
310.11597	4.9
314.63440	5.2
324.12973	5.4
342.13962	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	340.2845
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
55.05275	0.9
55.05510	11.8
56.05029	1.0
57.07074	4.4
60.04523	25.6
62.88382	0.5
65.95775	0.5
67.05188	0.6
67.05504	8.1
69.07066	16.2
70.07402	0.5
71.04965	1.2
71.08627	2.8
71.56072	1.0
79.05470	2.0
81.07052	12.5
83.08151	0.8
83.08613	11.8
85.10168	0.8
91.05459	3.2
93.07046	3.0
95.08601	9.4
97.06519	1.2
97.10159	7.1
105.07041	3.6
107.08602	3.6
109.09484	0.6
109.10156	6.9
111.08071	1.1
111.11706	2.0
113.09576	0.6
119.08579	3.0
121.10109	2.1
123.08049	1.1
123.11691	2.4
125.13227	1.0
127.11108	0.7
128.14345	0.9
133.10130	3.8
135.11679	1.6
137.05992	1.2
137.09610	2.2
137.13229	1.2
142.15906	7.8
147.11668	2.5
149.13257	0.8
151.11133	1.6
153.12787	0.6
154.12219	3.7
161.13257	1.6
163.14751	1.0
165.12769	0.8
165.16406	0.6
168.17535	0.7
172.13324	2.2
175.14824	0.9
179.17935	0.6
189.16368	0.6
196.13388	0.7
197.08195	0.6
201.75269	0.5
245.22598	1.8
263.23730	3.5
280.26324	9.3
298.27429	11.3
314.94406	0.6
322.27405	2.6
323.12518	0.7
339.77847	1.3
340.28458	100.0
341.28958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94703	0.9
55.01861	1.3
55.05521	8.0
57.07075	2.6
62.06094	100.0
65.96002	0.8
67.05174	1.2
67.05508	14.5
69.07076	11.2
71.41544	0.8
71.41890	1.2
74.60597	0.8
79.05495	11.5
81.06588	1.1
81.07056	15.0
82.06565	1.1
83.04967	1.0
83.08615	4.2
85.75395	0.8
91.05463	1.7
93.07056	7.4
95.08613	10.5
97.06561	1.2
97.10137	2.4
98.06057	1.4
107.08601	6.4
109.10167	6.4
111.08118	1.0
117.07026	1.3
119.08517	0.8
121.10157	2.7
123.11698	1.0
124.11217	4.7
125.09602	1.1
131.08566	1.5
135.08006	1.0
135.11691	4.7
137.13222	0.8
145.10107	1.1
147.11673	0.8
153.12793	1.1
168.13914	1.0
170.11722	1.0
177.12970	1.0
193.04953	2.3
196.13359	14.2
214.14392	15.6
243.21211	1.2
261.22134	3.0
279.23154	2.5
290.17999	1.1
322.27411	49.6
323.25793	7.1
339.77896	6.7
340.28467	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.05508	7.2
56.96556	1.5
57.03449	1.8
57.07063	2.6
58.26501	1.0
62.06092	100.0
65.03917	1.1
66.44633	1.0
67.05508	16.1
67.13522	1.1
68.05852	2.0
69.07064	5.6
69.49645	7.8
71.04984	1.4
71.08634	18.8
79.05491	8.9
80.07693	0.9
81.07063	21.6
82.07403	1.9
83.04977	1.8
83.08615	4.7
86.43613	1.1
91.05485	6.5
93.07034	8.4
94.07384	2.4
95.08607	15.8
96.08934	1.3
97.06540	2.2
97.10178	1.7
98.06093	2.0
98.20770	2.1
98.97607	1.4
99.04487	1.1
99.08096	11.2
105.07030	4.5
107.08595	6.1
109.10148	4.3
110.10478	1.6
117.06955	2.7
119.08576	4.5
121.10134	5.4
122.10460	1.7
123.11731	1.8
131.08553	3.3
132.08887	1.3
133.10051	2.1
135.11694	4.2
137.05971	2.6
145.10139	3.2
147.11688	8.0
149.09665	1.9
149.13269	2.1
159.11726	1.7
163.14857	1.5
165.12794	2.2
173.13235	2.1
187.07523	1.2
189.16530	1.3
193.04979	1.6
224.20100	4.9
230.19908	2.0
240.19637	1.4
242.21144	8.7
243.21115	2.0
248.21007	6.8
251.10788	1.0
261.22183	2.1
279.23199	4.4
318.43945	1.4
322.27411	76.8
323.25568	5.4
339.77768	2.6
340.24890	2.0
340.28540	35.7
350.36777	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0868
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.06886	0.2
55.55920	0.2
61.02925	0.4
67.05547	0.2
69.03423	1.1
69.46964	0.2
69.65337	1.4
71.17456	0.2
74.41622	0.2
75.21954	0.2
81.03419	0.4
85.02905	1.7
87.04461	0.3
91.05492	0.3
95.04993	0.3
97.02874	0.5
98.20856	0.3
107.04992	0.2
109.02888	0.2
111.04478	0.2
117.03375	0.3
119.04945	0.3
123.04427	7.9
127.03936	0.3
133.02844	7.7
135.04385	2.1
137.05954	0.5
138.23442	0.3
145.04913	0.4
147.04414	0.3
151.03912	3.5
161.06053	0.3
163.03987	0.3
175.07584	0.3
179.03391	100.0
180.03735	0.3
271.09708	0.3
291.10193	0.4
309.08008	0.5
323.12726	0.5
341.08423	1.8
352.07300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	CHEBI:67434
Peak:m/z	Relative Intensity
51.02376	0.8
53.03940	1.8
55.01864	1.4
67.05511	0.8
69.29138	1.8
69.29544	4.7
75.01129	0.6
77.03913	1.5
78.04713	2.4
79.05491	4.6
80.05006	0.7
81.03433	1.0
81.07052	1.0
91.05478	3.8
93.07024	1.8
95.04982	2.2
100.11266	2.5
103.05490	5.3
105.03383	2.2
105.04521	1.1
105.07036	7.1
106.04185	2.6
107.04971	2.8
107.08627	0.8
109.06520	0.9
109.10085	0.7
115.05470	2.4
117.07046	1.5
119.08603	0.9
121.06514	2.7
123.04426	2.9
128.06233	2.3
129.07002	1.9
130.07771	0.8
131.04924	14.0
131.08553	0.8
133.06494	23.4
134.03638	13.5
135.04417	100.0
137.05971	10.8
141.07016	0.8
143.04906	1.2
143.08601	1.0
145.06462	3.5
147.04404	0.7
147.57584	0.7
149.05984	13.9
151.07628	0.8
157.06471	1.7
159.04471	1.1
160.05200	0.9
161.05977	19.6
163.07576	2.1
165.07004	1.0
166.42513	0.8
169.06493	0.9
171.08063	1.8
173.06004	3.9
174.06813	0.8
175.07544	4.7
179.08585	0.8
182.15408	2.0
183.08081	0.7
185.06033	1.6
186.06764	1.0
187.07538	8.3
189.05476	1.4
193.06595	0.8
197.05984	1.1
199.07597	0.9
201.09157	1.1
201.83757	0.7
203.07031	1.8
210.14908	2.6
219.08070	0.9
220.08960	0.8
221.09822	0.7
229.08640	1.2
235.07706	0.8
235.11038	0.8
248.08374	1.3
249.09103	0.9
251.10744	1.5
263.10794	2.1
279.10086	1.3
281.11584	1.2
291.10040	1.1
293.11737	2.9
295.13315	1.1
308.10538	0.8
309.11011	1.7
311.12863	2.0
323.12799	10.2
326.11511	1.0
328.36087	0.7
338.52402	0.8
341.13834	47.8
341.21078	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10993	0.9
67.05487	2.7
69.07053	2.2
69.90970	2.1
69.91371	2.0
71.11959	0.9
76.59454	1.1
79.05491	2.4
81.03387	1.1
81.07042	4.0
85.02883	0.9
86.09653	0.9
93.07022	3.0
95.08582	3.7
98.20837	1.4
105.07015	1.5
107.08565	3.0
109.10146	3.3
111.15691	0.9
117.67793	0.9
121.10139	1.3
133.10077	1.4
135.11685	1.5
146.11801	1.0
153.06985	0.9
165.06978	5.8
174.18692	1.0
176.06229	1.2
177.05569	1.1
177.06976	4.2
178.07797	6.9
179.08543	7.2
189.05420	2.9
189.06996	11.3
190.06160	2.0
190.07773	23.9
191.08548	100.0
192.09326	9.6
193.10118	1.6
195.08014	2.0
201.07018	1.5
202.07806	7.5
203.08548	4.0
205.06450	18.9
205.10057	1.1
207.08127	5.0
213.05490	2.9
218.07237	7.8
219.08029	86.2
220.08794	7.3
231.07959	2.3
236.08244	1.2
237.09100	7.0
246.06787	1.5
247.07532	62.4
247.20528	3.8
248.08267	2.2
251.10666	1.8
275.07037	13.7
279.10159	28.9
279.21436	1.3
283.16931	1.4
289.08560	1.2
307.09625	69.1
339.12329	8.8
339.19266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01857	1.1
55.05512	3.6
56.96564	5.2
57.03439	6.8
57.07071	2.1
58.99591	2.8
60.04538	1.2
61.02927	3.9
61.49068	1.1
65.03939	1.3
67.05189	1.3
67.05512	16.8
69.03436	6.7
69.07047	2.1
70.06581	4.0
70.75526	3.5
71.04996	50.7
72.05875	1.1
73.02920	15.0
79.05492	6.1
81.03419	3.5
81.07056	35.0
83.04976	1.9
83.06116	1.1
83.08600	1.7
84.04531	1.8
84.08130	1.6
84.96021	2.2
85.02907	6.9
85.06552	7.5
86.00668	1.7
86.99041	1.8
87.04488	1.2
88.02211	1.2
89.03922	5.6
91.05476	12.0
93.07039	3.3
94.06548	1.9
95.04950	2.7
95.08594	4.7
97.02905	3.8
97.06480	1.4
98.06894	1.7
98.97608	2.6
99.04472	1.1
101.12974	1.1
101.31533	1.1
103.05477	2.9
105.07029	3.9
107.04940	2.8
109.02889	2.7
109.06508	2.1
110.97575	2.2
111.04456	1.4
112.07571	1.3
115.03935	1.9
115.05474	2.3
116.01697	7.4
116.26772	1.1
116.98627	2.2
117.03369	7.9
119.04937	23.5
120.08133	1.5
121.06553	2.2
122.06035	11.7
123.04456	1.1
123.11713	9.3
124.99107	1.6
129.03368	9.0
130.06529	2.9
131.04916	4.3
132.08096	3.7
133.06494	2.8
135.04404	10.6
136.04745	1.4
136.07591	3.0
137.05986	1.3
138.05536	1.9
138.09116	1.3
140.07072	2.4
141.12743	52.3
143.00215	2.1
144.01151	1.5
145.02847	15.2
145.05028	1.1
146.06017	1.7
147.04416	81.9
148.04774	2.1
148.07527	2.0
149.05977	4.2
150.05524	6.3
152.07031	1.6
154.08643	1.4
158.06021	3.1
158.99643	1.9
159.04413	2.8
159.06790	1.7
159.13820	24.5
160.07588	14.6
161.01256	1.4
161.05963	4.4
163.03912	40.5
164.04240	3.9
164.07109	2.6
165.05479	1.3
168.06566	1.8
169.06435	1.1
172.09744	1.6
175.02321	1.1
175.03958	2.6
176.07140	1.4
177.05467	23.9
177.14862	23.1
178.08670	6.8
189.05472	100.0
190.05693	2.6
191.07002	3.5
193.04979	2.1
203.03516	2.6
207.06541	2.4
218.06361	2.0
221.01123	1.6
223.02737	1.9
231.02832	2.0
236.07431	1.7
238.05330	1.8
243.11513	1.4
261.12390	1.4
281.03244	2.0
293.08136	1.4
303.13431	3.3
321.09344	7.0
321.14255	6.7
339.10150	57.6
339.15414	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	340.1029
Annotation	6-GlcO-I3CO2H
Peak:m/z	Relative Intensity
50.03425	0.4
53.03931	1.4
54.00467	0.5
54.80363	0.4
55.01875	4.6
56.96548	1.0
57.03406	0.5
59.84418	0.5
61.07025	0.4
65.03922	1.3
67.05502	7.5
69.03419	1.0
70.06568	1.2
71.01339	1.0
71.04964	1.0
71.54949	0.8
73.02915	1.7
79.05485	0.8
81.03413	1.4
88.04000	0.7
89.03912	0.7
91.05476	2.0
95.04974	21.6
96.08612	0.5
97.02885	0.8
98.97589	1.4
99.00858	0.6
100.04012	0.5
103.05450	0.6
105.03341	0.7
106.06532	1.3
107.04969	1.0
108.04488	0.6
117.03393	0.8
117.05753	0.6
118.06550	3.5
119.04941	2.0
119.07349	0.5
120.05277	0.6
121.06433	0.5
123.04433	15.5
129.03337	0.8
130.03749	0.6
130.06500	1.3
131.04900	0.8
132.04431	2.7
133.05194	0.9
134.06023	2.2
135.04434	1.1
136.06168	1.0
136.07597	1.2
137.07927	0.8
138.05467	1.4
142.13118	0.6
143.10670	1.2
144.08038	1.2
145.02834	1.2
146.06010	7.4
147.04424	4.0
148.04794	3.2
148.07590	0.6
149.04649	0.8
152.07056	0.9
153.07440	0.6
158.99617	0.7
160.07590	0.9
161.06007	0.6
162.05458	1.2
163.03934	5.4
163.06351	0.6
163.85368	0.4
164.04190	0.7
164.07080	6.8
165.07590	0.8
166.04933	0.9
172.07584	1.8
174.05484	3.3
175.03860	0.8
176.06995	0.6
178.07240	0.5
178.08647	2.4
179.03395	2.6
180.06544	0.9
182.08076	0.5
186.03970	0.7
188.07060	1.6
189.05472	7.4
190.05872	5.3
190.08575	2.5
192.06551	1.6
200.07071	1.0
202.04970	0.8
204.06532	1.8
205.07327	1.5
206.08136	2.4
207.06586	1.2
216.06644	1.3
218.08141	1.9
220.06027	0.7
222.07594	2.4
224.05505	1.1
224.09149	2.7
225.07613	0.6
226.05164	0.6
232.09662	0.6
234.07648	5.2
236.09164	3.7
241.05846	2.2
244.06119	1.3
246.07547	0.5
248.05566	1.3
249.02768	0.5
249.06297	2.7
250.06998	3.0
250.10768	2.0
252.08795	2.2
258.02875	0.5
262.07147	6.9
266.06488	0.9
276.08713	2.2
278.06635	0.7
280.08173	12.0
281.08908	0.7
290.06506	4.3
294.09674	6.7
296.11142	0.7
308.07697	9.0
310.09366	1.2
322.09213	5.9
340.10278	100.0
341.11145	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.05501	0.6
57.03424	1.1
63.15891	0.5
67.05499	0.6
69.03432	8.3
69.07058	1.0
69.29855	2.7
69.30278	1.9
71.04984	1.1
73.02923	1.0
74.01740	0.5
77.03976	0.6
79.05476	0.7
81.03421	16.2
81.07047	0.9
83.04963	1.1
85.02908	5.2
86.09707	0.6
89.03915	6.2
91.05499	1.4
93.07022	1.1
95.08602	0.9
97.02884	2.2
99.04443	2.4
105.07014	0.9
107.08592	0.8
109.02870	6.7
117.03384	20.1
117.07066	0.5
119.04943	1.0
121.06499	1.1
123.11691	0.7
127.03920	2.5
129.05453	1.0
130.69661	0.6
133.10107	0.7
134.03653	1.6
135.04430	1.8
145.02853	55.0
147.04408	1.6
149.06001	7.6
149.13274	0.6
149.23201	0.6
163.03923	1.6
167.10692	0.6
175.03899	0.9
177.05476	100.0
178.07776	0.6
186.05602	1.0
189.07056	1.1
191.08575	1.4
195.06570	3.1
205.06450	0.9
207.06516	2.5
218.07236	0.6
219.08055	1.8
247.07518	2.7
267.07065	0.5
275.07019	1.1
281.04681	0.6
293.08206	1.3
301.35214	0.6
307.06378	0.6
307.09467	2.6
321.09711	23.6
339.11417	3.4
339.17267	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	3.7
69.07059	1.8
69.26295	10.5
71.76727	1.1
73.49348	1.2
74.94496	1.1
79.05466	1.6
81.07051	4.7
86.09712	1.8
91.05470	1.4
93.07061	2.5
95.08604	4.1
96.38874	1.1
98.20798	2.7
105.07008	1.1
107.08578	2.1
109.10174	2.5
119.08533	1.3
121.10155	1.7
131.08516	1.4
133.10081	2.1
147.11754	1.3
160.46674	1.2
165.07031	4.4
176.06184	2.7
177.05551	1.4
177.06992	5.2
178.07787	7.7
179.08551	9.9
189.05460	2.8
189.07016	11.1
190.07785	25.3
191.08565	100.0
192.09315	7.9
193.10141	1.7
195.08003	2.7
199.07512	1.6
201.07010	2.8
202.07808	6.3
203.08504	4.2
205.06487	18.4
207.08046	6.0
209.09511	1.3
213.05502	4.1
216.64709	1.2
218.07195	6.2
219.08055	91.2
220.08784	9.9
221.09618	1.6
231.08180	1.6
237.09120	7.1
246.06747	2.3
247.07562	68.8
247.20581	3.4
248.08154	2.7
251.10634	3.3
261.09113	1.6
265.08533	1.6
275.07019	13.6
279.10178	28.0
283.16705	1.7
307.09650	81.8
339.12262	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	339.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21096	0.5
53.03931	2.2
55.01875	0.7
56.96567	0.5
57.03434	1.0
63.02360	0.6
67.05492	0.9
68.94704	0.4
69.03429	7.1
69.07017	0.5
71.04976	0.7
71.29697	0.4
71.56091	0.5
73.02924	0.5
79.05484	0.6
81.03421	15.1
81.07033	0.6
83.04989	0.7
85.02915	5.1
89.03905	6.7
91.05479	1.6
93.07066	0.6
95.04916	0.6
95.08598	0.5
97.02878	1.9
98.97587	0.5
99.04443	1.9
103.05460	0.6
105.07004	0.7
107.50341	0.5
109.02872	4.8
117.03382	23.7
119.04983	0.5
121.52686	0.5
127.03919	1.7
129.05495	0.7
130.40305	0.5
134.03638	1.4
135.04414	1.2
137.05977	0.6
145.02849	54.6
147.04407	0.7
147.08096	0.6
149.05975	7.9
159.08292	0.6
162.03171	0.7
163.03972	1.1
177.05473	100.0
195.06493	2.5
199.79391	0.5
207.09283	0.5
219.08115	0.5
243.30675	0.4
321.09692	21.0
339.10986	3.5
354.70462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
65.03936	0.8
69.03423	0.5
69.57678	1.3
73.05986	0.2
83.04990	0.5
86.09677	0.5
91.05486	8.3
92.75862	0.3
96.15689	0.2
97.02933	0.2
97.14857	0.3
98.21439	0.5
98.97605	0.3
111.04421	0.6
117.03342	0.6
119.04946	22.1
145.02852	1.8
147.04413	100.0
149.05962	0.5
163.03943	0.5
165.05563	0.4
177.05466	2.8
237.05438	0.3
274.13626	0.2
293.04517	0.7
321.03934	0.8
321.09708	0.6
339.05002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.47134	0.4
50.97871	0.5
53.03938	1.7
53.37632	0.4
55.01871	0.7
57.03428	1.4
57.90725	0.4
58.89341	0.5
60.58220	0.5
63.02398	0.8
69.03440	6.1
69.98261	0.5
69.98535	2.2
71.04997	0.6
78.04725	0.5
81.03426	14.0
81.07058	0.5
85.02905	4.5
89.03928	6.6
91.05499	1.2
93.07049	0.5
95.05006	0.6
97.02906	2.4
98.09703	0.9
99.04459	2.0
102.37405	0.5
103.05466	0.5
106.04174	0.5
107.05006	0.6
109.02889	6.0
117.03392	21.4
127.03927	1.9
134.03636	1.7
135.04404	0.9
145.02859	55.0
149.04947	0.8
149.06010	7.5
162.03102	0.5
163.03912	1.0
170.71774	0.6
177.05486	100.0
181.27477	0.5
186.05479	0.9
195.06537	2.8
216.74130	0.5
220.34663	0.4
279.08783	0.7
321.09726	21.5
339.10977	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	339.1081
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.23251	1.1
52.88351	1.2
53.03941	1.2
54.19207	1.0
55.05504	1.7
56.96560	2.3
57.03440	6.9
58.99589	2.3
59.77572	1.1
61.02916	2.4
65.03932	2.7
67.05512	8.9
69.03432	10.3
69.64935	3.4
69.65363	4.5
70.06577	4.7
71.04995	32.3
73.02923	6.5
79.05480	4.3
81.03413	5.4
81.07059	22.2
83.08574	1.0
84.08097	1.3
85.02908	9.0
85.06526	5.0
86.99030	1.5
87.04460	4.1
89.03905	4.6
91.03970	1.3
91.05492	13.5
93.07013	1.8
95.04968	2.2
95.08649	2.3
97.02885	7.5
97.06518	1.4
98.20766	2.0
98.97575	2.7
99.04424	1.2
99.08130	1.3
103.05457	4.1
105.03369	2.1
105.07005	4.1
107.04958	2.5
109.02892	1.7
111.04427	1.4
115.03930	3.5
115.05478	2.2
116.01673	1.8
117.03362	4.3
119.04140	1.5
119.04943	23.1
121.06477	2.6
122.06052	7.9
123.11746	5.8
124.07599	2.6
127.03902	1.8
129.03358	8.7
129.07030	1.7
130.06485	1.8
131.04936	5.0
132.08051	3.5
133.04893	1.2
133.06500	3.0
133.40434	1.2
135.04413	7.8
136.07587	2.1
137.05914	2.2
138.05452	2.2
139.03882	1.2
141.06961	1.7
141.12747	35.1
145.02852	10.0
145.06459	2.3
147.04419	76.8
148.07478	1.4
149.05981	4.3
150.05460	1.8
152.07068	3.6
154.08647	1.7
158.06009	1.5
158.99657	1.3
159.04420	3.3
159.13817	13.4
160.07549	5.6
161.05923	6.8
163.03918	24.4
164.04233	2.8
164.06996	1.5
165.05475	1.9
168.06474	1.8
171.04282	1.2
172.09657	1.6
173.02373	1.3
175.03938	3.0
177.05486	17.2
177.14868	12.8
178.08604	3.6
179.07040	2.4
180.06506	3.9
182.08046	1.3
185.06064	1.8
187.03864	1.7
189.05469	100.0
191.07007	2.5
193.04915	2.1
195.06444	1.5
203.03427	1.4
207.06512	3.3
217.04985	2.8
218.06348	1.2
231.06523	2.5
243.06442	2.7
261.07578	1.7
271.05820	1.7
289.06839	1.6
303.13376	1.9
307.08163	4.8
321.09497	9.3
321.14352	3.3
330.51093	1.4
339.10263	33.3
339.15427	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	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03937	5.9
55.01878	4.5
56.96555	10.0
57.03422	10.4
59.29052	2.3
61.02919	7.6
65.03957	3.2
65.86293	2.1
67.05476	3.3
69.03093	2.9
69.03437	39.6
71.01353	2.7
71.04978	5.1
72.04519	36.3
72.31100	2.3
73.02905	6.0
79.05485	9.0
80.54070	3.1
81.03423	18.2
81.07066	4.8
83.04987	6.2
84.08145	5.7
84.96019	3.1
85.02912	30.3
87.04462	4.6
91.05490	30.5
93.07059	18.1
95.04955	8.8
97.02897	16.3
97.06522	2.9
98.97575	19.5
99.04459	5.3
101.88929	2.5
103.03948	3.2
103.05477	16.1
105.07037	12.2
107.04974	3.9
109.02878	4.4
115.05436	5.8
115.07561	5.5
116.98642	6.2
117.07010	3.9
119.04955	22.9
120.51181	2.4
121.06528	17.6
122.06033	2.9
123.04480	4.4
127.03935	18.6
128.98610	2.7
129.03400	2.7
129.07033	3.0
130.04987	4.8
131.04927	17.5
131.08582	3.8
133.06508	13.5
134.05977	3.2
135.04440	5.1
136.07579	5.4
137.16238	2.5
141.07045	5.8
143.04919	3.9
145.02870	4.7
145.04968	2.7
145.06473	5.1
146.06023	9.2
147.04411	28.3
149.05988	43.6
152.07037	3.6
158.99675	11.5
159.04428	31.6
160.07590	2.6
161.05965	12.3
163.03938	6.6
164.07069	16.5
165.05486	7.3
165.06911	2.6
167.07091	5.0
170.99580	3.0
173.05937	3.9
174.05571	5.1
175.03891	34.3
177.00696	9.5
177.05481	88.3
178.08620	5.1
189.00557	2.9
189.05473	41.6
190.08652	5.6
191.07095	3.6
192.06544	5.4
193.04971	8.5
194.97411	4.4
195.06531	28.6
197.05888	3.9
200.07094	2.6
201.05510	4.1
203.03307	3.8
205.04890	3.2
206.08151	3.3
207.06511	9.8
210.11182	3.6
213.05457	2.7
217.04971	2.9
217.09868	3.6
219.01802	5.2
219.06450	6.3
224.09160	25.7
227.03143	3.2
232.09480	2.9
250.10829	6.4
271.09515	4.9
277.11667	4.3
291.00162	3.0
293.11423	12.2
295.12866	14.9
297.02734	4.1
307.09033	3.2
307.12085	3.1
321.09979	24.5
321.14520	8.1
322.09210	13.4
339.11542	100.0
339.15680	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	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.40412	0.6
53.03944	1.2
57.03411	0.7
60.59973	0.5
65.03942	0.9
69.03431	5.6
70.06564	0.8
71.05007	0.7
71.53529	1.0
71.53910	0.6
79.05482	1.0
81.03426	5.5
81.07072	0.7
83.04987	2.1
85.02903	2.2
89.03888	2.9
91.05473	10.6
91.30543	0.7
93.07037	1.3
94.76852	0.6
95.04981	0.7
97.02871	1.8
98.97599	1.4
99.04456	1.4
103.05503	0.6
105.07049	1.4
107.04997	0.7
109.02860	2.7
111.04449	1.0
117.03381	8.8
119.04942	25.7
119.05796	1.3
121.06501	1.2
123.04452	1.9
127.03893	0.9
129.05428	3.4
135.04369	0.9
145.02850	19.3
147.04411	100.0
149.06003	4.7
163.04012	0.8
175.58466	0.6
177.05470	38.8
189.05412	0.9
195.06531	2.1
218.97597	0.6
266.66669	0.6
321.09677	7.1
321.13748	0.7
339.08694	2.8
339.11591	0.9
340.02542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03931	1.5
55.01848	0.7
55.05491	1.2
55.11889	0.6
57.03419	0.8
57.21338	0.6
60.79292	0.6
67.05496	2.0
69.03428	6.1
69.22404	0.7
69.73343	0.7
71.04992	1.0
71.55565	1.0
73.02905	0.8
78.04707	0.7
79.05486	1.1
81.03416	14.6
81.07055	2.5
82.20166	0.6
83.04954	0.7
83.08589	0.7
84.46448	0.8
85.02917	4.6
89.03898	5.4
91.05469	2.2
93.07043	2.5
95.04967	1.2
95.08598	1.9
97.02881	3.5
97.06478	0.9
98.97575	1.1
99.04440	1.7
103.05490	0.7
105.07033	1.2
107.04981	0.7
107.08583	1.4
109.02901	5.1
110.52317	0.8
111.08028	0.7
117.03381	19.7
119.04938	1.6
119.08612	1.1
121.06512	0.7
121.10129	1.8
123.11725	0.8
127.03912	1.7
133.10130	0.7
135.04372	1.8
137.05968	1.4
145.02846	51.8
145.10129	1.1
147.04396	2.2
149.05983	9.4
149.13364	0.9
163.03899	2.2
175.03920	2.0
177.05470	100.0
178.07881	0.6
182.84839	0.8
186.05440	1.7
189.06990	1.1
190.07787	1.0
191.08513	3.5
192.09447	1.0
195.06476	3.5
205.06519	2.3
207.06519	2.7
207.08180	0.8
219.08025	4.8
220.08859	0.9
237.09157	0.8
237.87251	0.8
247.07596	3.7
248.08415	1.1
249.05333	0.8
275.06955	1.6
277.08551	1.1
279.10199	3.3
293.07666	0.7
307.09558	5.1
311.12811	1.6
321.09659	19.8
325.06088	0.8
334.64792	0.8
339.11697	6.0
339.17944	1.4
339.23160	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2689
Annotation	Melophlin J
Peak:m/z	Relative Intensity
51.79324	2.0
55.05499	4.2
56.96551	6.5
57.03426	8.7
62.06093	100.0
67.05507	13.8
69.07063	5.4
69.48985	2.2
71.54958	2.8
75.94643	2.2
77.51749	2.4
79.05478	9.5
80.67289	2.2
81.07063	13.1
85.02885	2.8
85.06559	2.4
91.05500	11.3
93.07020	11.0
95.08592	8.2
98.06095	3.8
98.97602	11.3
105.04562	2.3
105.07014	7.7
107.08594	5.7
109.10175	3.8
111.08066	2.9
116.98618	4.3
118.96469	2.3
119.08587	7.6
121.10133	8.0
131.08563	3.2
133.10086	4.6
135.11685	5.3
147.11775	2.4
149.13255	2.3
157.10165	3.1
159.11633	3.0
161.13266	4.8
182.07263	2.2
187.14771	2.9
191.08537	3.3
205.15933	3.4
219.07947	2.6
260.10294	2.4
264.23166	6.5
274.97574	10.7
282.24249	8.3
292.98480	2.7
320.25870	57.6
338.14783	3.3
338.23376	3.3
338.26877	24.6
339.12201	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	338.2689
Annotation	Melophlin I
Peak:m/z	Relative Intensity
53.71236	1.4
54.53884	1.2
55.01864	4.2
55.05519	6.6
62.06093	100.0
67.05509	19.3
69.03445	1.8
69.07063	10.4
71.08632	4.9
71.55037	1.6
75.95110	1.3
79.05501	9.6
81.06598	2.0
81.07052	15.0
83.04989	2.0
83.08623	5.0
91.05480	7.0
93.07058	10.3
95.04948	2.3
95.08614	10.7
97.02991	1.4
97.06551	4.6
97.10198	2.2
98.06062	2.1
99.08102	4.9
105.07041	6.0
107.08602	10.3
109.06504	2.5
109.10181	7.8
111.08131	2.2
119.08622	6.4
121.10123	4.6
123.11733	1.9
124.11257	1.7
131.08519	1.9
133.10130	5.1
135.07973	1.9
135.11713	5.0
145.10156	1.9
147.11728	1.9
149.13254	1.7
151.11180	1.3
157.10103	1.4
159.11725	1.8
161.13199	3.0
171.11647	1.6
175.14790	3.0
179.14346	2.3
196.13344	8.9
214.14423	10.4
222.18546	4.8
224.20087	1.8
236.16573	1.3
240.19638	5.3
241.19574	2.4
259.20734	3.0
277.21609	5.7
320.25867	64.7
321.24274	5.0
338.23077	1.3
338.26886	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	339.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00340	0.6
57.03442	2.3
58.99890	0.8
61.02930	5.4
61.28168	0.6
69.03433	3.9
71.55228	1.0
73.02916	3.8
77.00948	0.9
82.99828	3.0
83.06351	0.7
84.08144	1.6
85.02902	5.0
87.43925	0.6
97.02904	2.0
98.97623	0.9
101.00885	30.4
102.00888	0.9
103.00623	0.7
103.02447	0.9
113.00894	2.1
115.02434	3.2
115.43187	0.6
117.04048	0.9
119.01923	41.1
121.01692	1.6
127.02416	3.3
127.03923	2.4
129.02139	0.7
129.04010	0.8
130.08676	1.4
131.01903	3.2
133.02570	0.6
133.03438	3.6
135.04387	0.6
137.02979	2.7
139.02396	6.5
143.01897	15.4
145.03476	12.0
145.04773	0.8
145.05058	0.8
147.03259	1.5
155.01888	3.4
157.03467	36.3
161.02953	13.1
163.04462	5.9
167.01900	1.5
169.03517	2.2
173.02972	5.9
175.02953	1.0
175.04532	17.7
176.02489	0.8
179.05489	0.7
181.05612	3.5
183.05095	1.8
185.02972	1.9
187.04529	2.4
188.02457	1.0
192.05608	0.8
197.02994	2.6
197.53001	0.7
203.04037	1.3
205.02075	0.9
205.05566	22.3
215.03886	1.1
218.03534	1.9
219.01799	2.4
223.06630	100.0
224.06854	0.8
227.03979	2.5
228.06973	0.9
241.07692	23.9
245.05057	2.8
246.05775	0.6
246.08263	2.9
249.08272	13.5
263.06183	1.3
265.07666	1.6
267.09290	2.2
275.06158	1.9
277.07703	39.1
279.05576	2.9
293.07175	2.1
303.05573	9.6
305.07028	0.8
321.06671	42.2
339.07703	40.1
340.07693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03955	1.5
55.01879	0.4
57.03445	0.8
61.02939	0.4
69.03435	4.3
69.74845	1.4
70.56571	0.3
71.05004	0.7
71.08511	0.3
73.02898	0.5
81.03425	12.0
85.02913	4.5
89.03922	6.4
91.05470	1.8
93.07065	0.4
97.02915	1.2
98.97587	0.7
99.04469	1.2
103.05490	0.5
105.03308	0.3
106.04175	0.5
109.02891	3.9
117.03387	19.3
119.04972	3.4
122.06087	0.4
127.03922	1.8
134.03650	1.1
135.04436	1.1
137.06029	0.4
145.02856	53.5
147.04411	13.7
149.05981	6.9
162.03125	0.4
163.03914	1.8
177.05479	100.0
185.26614	0.4
195.06557	3.1
264.07663	0.4
265.05209	0.5
265.08194	0.3
316.82657	0.4
321.09695	16.7
339.10953	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	337.1101
Annotation	Firocoxib
Peak:m/z	Relative Intensity
52.98790	1.8
53.32250	1.8
55.78497	1.8
101.00826	3.1
104.81097	2.0
105.54549	2.7
114.23403	1.9
131.74246	2.0
202.18536	2.0
212.49329	2.1
236.28867	2.2
337.08780	98.1
337.11130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
56.96560	7.4
60.85852	1.7
61.02921	2.7
65.03923	2.6
67.05502	7.9
69.03432	23.4
69.69412	11.5
70.06573	7.5
70.40853	1.7
71.05005	2.4
79.05499	7.7
81.03406	5.7
81.07062	2.3
83.04987	12.1
85.02898	18.2
86.09709	2.9
91.05487	35.0
93.03384	4.0
93.07072	2.9
95.04970	26.3
97.02892	7.5
98.97588	17.6
99.04467	9.7
101.00877	22.6
103.02425	3.5
103.03942	11.7
103.05441	3.8
103.82323	2.4
105.07018	2.3
107.08587	3.4
109.02889	4.2
111.04460	16.8
112.07590	2.1
116.98639	4.9
119.01931	25.3
119.04942	30.2
121.02828	2.9
121.06469	4.2
123.04427	7.9
127.02425	18.5
127.03886	14.6
129.03320	3.7
129.05495	14.7
131.01889	8.9
133.06459	5.7
135.04385	3.0
137.05959	2.6
139.03883	6.7
143.01909	18.2
145.01694	3.4
145.02437	3.4
145.03479	60.0
145.04747	3.5
147.04422	35.7
147.06479	14.1
148.04799	2.7
149.05989	6.3
151.06348	2.3
155.01894	18.9
157.03505	5.3
157.04961	12.9
158.99666	3.4
161.01604	3.4
161.02954	20.1
161.05963	6.9
163.02753	3.6
163.03903	5.3
165.05489	6.6
171.01408	10.3
171.06645	2.0
173.02977	36.2
175.02661	2.9
175.03938	19.8
175.06104	4.9
177.00688	5.1
177.05518	3.1
179.06992	2.3
181.03409	2.5
187.06480	2.2
189.00923	2.5
189.02438	10.5
189.05476	20.0
189.07869	2.8
193.04962	11.4
193.07091	17.9
199.00891	7.7
203.03966	9.5
207.03419	2.8
207.06566	8.6
217.01939	100.0
217.07025	11.4
217.09030	2.0
223.06506	3.0
229.01915	3.6
235.02969	27.6
237.02904	2.4
239.04355	2.3
277.03864	12.2
287.04388	2.6
287.09790	3.7
295.10645	4.5
311.04382	2.1
319.07162	2.2
337.05536	2.6
337.10629	23.4
337.14703	17.2
337.17587	8.9
347.12021	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86176	9.7
52.59122	7.0
53.20481	7.0
55.05504	23.8
57.40364	8.4
67.05505	44.3
69.07080	52.6
71.04995	33.1
71.55473	9.6
76.79882	10.0
79.05505	21.0
81.07067	75.7
83.08620	12.2
91.05486	38.5
93.07040	62.9
95.04992	26.1
95.08627	95.6
97.10186	8.8
100.58945	8.1
105.07025	80.3
107.08595	50.3
107.46855	7.9
109.10162	38.5
117.07019	19.6
119.08601	97.2
121.10143	100.0
123.08080	8.5
123.11732	66.0
128.06213	9.0
129.06956	13.3
131.08557	43.5
131.16412	8.7
133.10138	42.7
135.08051	29.3
135.11739	13.1
142.07832	23.3
143.08582	18.1
144.09364	10.3
145.10136	75.6
147.11681	31.5
149.09569	10.1
153.07045	10.8
155.08600	13.1
156.09354	12.8
157.10104	53.8
159.08011	8.3
159.11723	36.4
161.09630	30.5
161.13264	13.7
168.09286	10.3
169.10158	27.8
171.11748	31.5
173.13197	13.8
175.11353	11.8
175.14844	18.9
177.16399	13.3
181.10300	10.3
182.10912	12.3
183.11723	29.6
185.13350	16.7
187.14882	13.5
195.11627	16.9
197.13264	50.9
209.13260	12.3
210.88942	8.4
211.14793	20.8
215.14337	29.4
223.14890	20.5
225.79897	8.1
253.19510	11.1
279.21149	11.6
294.23569	11.4
305.11761	17.3
306.12396	9.5
337.14349	53.6
337.24686	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
56.96568	0.6
59.08015	0.4
67.05508	1.0
69.03432	1.3
69.07066	0.5
70.06608	0.9
71.03448	0.4
71.03768	0.9
72.08156	13.7
74.06084	1.0
79.05488	0.9
80.31982	0.5
81.03374	0.5
81.07076	1.0
85.02898	1.3
91.05474	7.2
92.05814	1.2
93.07026	0.7
95.04979	1.4
95.08604	0.8
97.06525	7.9
103.05473	0.6
107.04955	0.7
115.07561	2.8
118.08645	6.5
119.04938	7.7
120.05285	0.6
120.08104	1.6
121.06519	0.7
122.06028	0.9
123.04513	0.5
123.93319	0.4
124.07615	0.6
126.93833	0.5
127.03918	0.5
130.06657	0.5
134.06049	0.5
135.04402	1.1
136.07574	100.0
141.09117	1.9
145.02861	1.2
145.09737	0.7
146.03178	0.8
147.04428	3.7
148.04767	1.3
149.05988	0.5
152.07062	1.8
158.06032	0.9
159.10187	1.3
163.03912	4.9
164.04234	5.3
164.07074	1.5
173.09337	0.6
175.03897	1.1
176.04245	2.0
176.07079	0.9
177.05539	0.7
182.08206	0.5
189.05435	1.3
189.19362	0.5
193.09724	61.7
194.05656	0.5
194.10149	0.6
199.03719	0.5
221.09203	16.7
250.07230	0.5
278.06790	0.7
281.15033	1.5
303.13461	0.6
338.09149	4.8
338.12561	1.4
338.17740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
53.03941	0.6
55.05498	1.2
57.03428	2.0
61.48694	0.4
66.82848	0.4
67.05505	7.4
69.07058	1.7
79.05496	3.5
81.07056	6.9
83.08612	0.7
91.05470	2.0
91.05965	0.4
92.32243	0.5
93.07047	3.8
95.05004	0.6
95.08611	4.3
105.07024	2.0
105.36084	0.4
107.08586	1.8
109.10167	1.7
112.54562	0.4
117.07015	0.7
119.08570	1.2
121.10140	1.5
131.08539	0.9
133.10136	0.8
135.11661	0.8
145.10051	1.1
147.11678	0.6
149.13304	1.0
161.13292	0.6
168.74957	0.4
173.13319	0.6
177.16397	0.5
185.13225	0.4
227.93454	0.4
243.21045	0.5
248.12056	0.5
259.96072	0.4
261.22101	0.8
317.24847	0.6
335.21948	100.0
335.25726	9.2
336.22342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
50.35523	2.5
52.81770	2.6
53.29430	2.2
58.94295	2.6
66.10435	2.4
68.08660	2.4
70.33208	10.8
76.27460	2.6
98.21437	3.3
101.00880	3.0
110.12292	2.5
125.32176	2.7
131.44398	2.3
133.46870	2.7
205.50948	2.7
266.23425	2.8
337.08865	100.0
337.11230	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	337.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50530	0.8
50.61443	0.9
53.03951	6.1
55.01866	3.4
57.03445	8.8
61.02938	1.9
65.03947	5.4
67.05508	13.5
69.03433	34.9
69.61014	6.0
71.01350	4.2
71.04996	4.1
73.02911	2.5
79.05504	12.7
81.03425	17.4
81.07066	4.3
83.01334	1.9
83.04964	1.9
85.02910	20.9
87.71011	1.0
89.15158	1.0
91.05487	68.0
93.03431	1.0
93.07042	4.8
95.04980	18.4
97.02905	15.3
98.20818	2.1
99.00815	2.0
99.04469	9.8
101.02406	1.3
103.04001	0.9
103.05468	5.7
105.03399	2.2
105.07039	2.2
107.04953	3.7
109.02890	5.9
109.06523	3.7
111.04444	1.6
115.05467	2.3
117.03439	1.1
117.07067	1.6
119.04950	66.8
121.06506	4.2
123.04436	19.5
127.03932	24.5
128.06255	1.2
129.03357	2.3
129.05486	1.2
129.07024	2.8
131.04955	5.5
133.02837	1.3
133.06522	1.7
135.04402	2.9
137.05995	3.9
141.06955	1.3
145.02859	1.2
145.04968	3.4
145.06439	3.0
147.04419	100.0
149.05983	10.9
153.06950	1.2
157.06532	2.3
159.04514	2.3
161.05974	2.9
163.03949	3.6
165.05495	16.8
168.82260	0.9
171.04547	1.1
171.08128	1.3
173.05966	1.4
175.03922	81.3
177.05479	2.2
181.06511	1.3
185.05937	1.6
189.05499	2.4
189.07050	2.0
191.03334	1.2
193.04979	31.7
199.07562	1.2
201.05527	1.1
203.08629	1.3
227.07114	1.1
229.04970	1.3
267.08804	2.4
273.07593	1.5
277.08630	3.7
284.94031	1.0
291.08734	3.2
301.07394	1.3
305.08047	3.2
319.08112	6.9
337.09570	11.5
337.14441	2.0
355.10370	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06715	1.0
53.03933	4.1
55.01860	1.6
55.05495	1.5
57.03436	6.6
61.02924	1.5
65.03940	4.6
67.05506	13.6
69.03430	32.2
70.06589	2.7
71.01337	3.7
71.04983	2.7
71.53422	2.3
73.02935	1.9
79.05486	8.3
79.44051	1.5
79.57926	1.4
81.03423	12.6
81.07058	4.6
83.05001	2.2
84.08123	1.3
85.02905	21.0
87.16589	1.3
91.05484	61.1
93.07028	3.6
95.04977	15.0
97.02898	12.6
99.04439	6.0
100.98854	1.3
101.02378	2.7
103.05448	3.2
105.03378	2.5
105.07039	2.1
107.04959	4.5
109.02871	6.4
109.06508	3.0
109.10182	1.4
112.83141	1.2
115.05443	2.2
117.07004	1.9
119.04946	52.1
121.06443	2.0
121.10157	1.4
123.04444	15.9
127.03915	14.7
129.03331	3.2
129.06963	1.8
131.04915	5.0
135.04405	4.4
136.07565	4.5
137.05980	3.7
139.11183	1.6
141.06921	1.4
145.02869	2.7
145.04926	2.1
145.73550	1.2
147.04414	97.5
149.02283	2.1
149.05963	7.5
152.07159	1.3
155.06102	1.3
157.06493	1.9
159.04442	2.4
161.05951	2.1
163.03899	9.6
165.05481	13.2
173.05952	1.5
175.03917	100.0
175.91789	1.2
177.05472	1.6
181.06619	1.5
185.06023	1.8
189.05432	2.3
193.03305	1.9
193.04973	21.6
193.09880	1.2
201.05351	1.7
215.07329	1.5
217.04765	1.6
229.04871	1.5
259.10889	1.2
264.29501	1.2
267.08670	2.3
291.08624	2.3
301.07108	2.0
301.11957	1.3
305.11765	2.1
319.08096	8.3
319.12479	1.8
337.09186	13.8
337.14056	5.0
354.13229	1.4
355.10342	2.2
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
53.03956	1.9
54.35199	1.0
59.44440	0.9
59.53550	1.1
61.15775	1.1
65.03935	3.3
67.05514	5.6
69.03432	2.0
69.07070	100.0
71.55484	1.6
74.14002	1.1
79.05497	2.7
81.03421	1.8
81.07050	4.0
82.06572	1.4
84.08119	1.1
85.02887	1.1
91.05465	2.7
92.04983	4.6
93.07068	2.1
94.06551	4.8
95.04961	1.5
95.08606	2.1
96.08131	1.4
97.02885	1.6
97.06536	18.6
99.04571	1.2
105.07004	2.7
107.08599	2.4
109.02872	4.7
109.06505	1.6
109.10160	1.4
119.08564	1.5
121.06528	1.2
122.06023	10.4
124.07597	3.0
125.06039	1.5
129.07100	1.0
130.06564	1.8
131.08554	1.6
135.08128	1.1
137.05937	2.4
138.05504	5.1
140.07074	8.2
145.08942	2.0
145.10126	2.2
145.38696	1.2
146.09644	1.0
148.03972	2.6
150.05505	91.2
152.03377	1.6
157.08858	2.9
157.98358	1.1
159.10481	1.4
160.11215	1.5
161.08386	2.9
162.09169	2.4
166.05011	29.1
168.06577	2.5
172.11267	2.0
173.08299	1.5
174.09204	1.7
174.12804	3.8
175.08662	1.5
176.03407	6.5
178.05029	2.8
185.02911	1.9
185.08461	1.6
186.07568	2.2
186.09129	1.8
188.10678	1.9
190.12257	3.6
191.08534	2.4
191.14297	1.3
194.04501	5.8
198.07892	2.5
199.07481	5.9
200.10838	5.2
202.12285	4.0
213.10266	2.3
215.04120	1.6
216.10187	3.8
218.08177	1.2
218.11761	14.0
219.08087	3.1
225.10117	1.9
226.07347	2.1
227.11804	1.6
228.10338	8.1
229.13237	2.1
234.11139	2.0
241.09702	3.4
243.11267	2.5
246.11285	13.8
247.07587	1.8
254.08188	1.5
255.11234	2.1
256.09665	1.5
257.09073	1.7
259.07355	1.2
269.09271	2.7
271.10733	11.2
272.09146	3.5
273.12405	3.5
274.10739	1.9
275.06778	4.2
286.13196	2.5
287.10272	50.7
289.11850	7.2
289.74640	1.2
299.10156	5.9
300.08582	1.2
303.06555	3.4
317.11298	37.2
317.14880	2.8
335.08936	1.7
335.12317	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	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05521	0.7
65.03935	2.7
67.05499	4.6
69.07067	100.0
70.67084	1.0
70.67406	1.1
76.93020	0.6
79.05495	2.1
80.05042	1.2
81.03422	3.2
81.05785	0.8
81.07057	5.5
86.10661	0.6
89.79441	0.7
91.05504	0.9
92.05000	3.5
93.05776	1.1
93.07051	1.5
94.06565	4.7
95.04936	1.0
96.08144	0.8
97.06525	15.1
105.07037	1.2
106.06546	0.8
108.04478	0.9
109.02912	1.0
109.06503	1.4
110.06075	0.9
112.07610	0.8
117.07018	0.8
119.03671	1.1
120.04416	1.1
120.08096	2.4
122.06030	8.6
124.07614	2.6
125.05993	2.0
131.07303	1.3
131.08542	0.9
133.10152	0.7
135.08170	0.7
137.05951	3.5
138.05501	7.1
140.07076	8.8
142.08588	1.2
143.81125	0.6
144.08092	1.8
145.08856	3.2
145.10028	1.3
146.06036	1.2
146.09634	4.3
147.06758	1.1
148.03909	5.0
148.04912	0.9
148.11200	2.7
149.11632	1.2
150.05504	86.9
152.03445	1.5
157.08829	3.2
157.10066	0.7
158.09599	1.3
160.07530	1.0
160.11244	0.7
161.08354	4.6
162.09117	1.9
163.10971	0.7
164.03439	1.2
164.07100	0.9
166.05000	31.0
168.06544	1.8
172.07578	1.9
172.11212	5.6
173.08360	2.3
174.09122	2.2
174.12767	7.1
176.03413	10.2
178.05017	1.9
184.07446	0.8
185.08400	1.7
186.07666	1.7
186.09203	1.0
187.08618	0.8
188.07150	1.1
188.10783	1.1
190.08597	1.3
190.12291	4.7
192.02890	0.6
193.12184	1.0
194.04468	4.1
194.12537	2.3
198.09241	1.5
199.06180	1.1
200.07114	1.5
200.10698	8.4
202.08698	0.9
202.12283	7.5
213.10245	2.0
215.08116	1.1
215.11877	0.7
216.10237	4.6
218.08353	1.3
218.11757	31.5
225.10168	1.0
226.08607	1.0
227.11732	1.3
228.10204	19.9
229.13438	1.4
234.11247	3.3
241.09389	0.7
243.11397	1.7
244.05998	1.3
244.09651	2.1
245.12885	1.8
246.11275	28.5
254.08064	0.8
255.11238	1.6
256.09781	1.1
257.09222	1.0
261.08722	1.5
261.12433	1.4
268.16269	1.0
269.09219	1.2
271.07886	1.0
271.10678	5.3
272.09210	4.9
273.12402	2.8
274.10840	5.3
286.17291	1.7
287.10284	7.9
289.11795	10.6
290.10187	2.3
291.13489	1.2
299.10275	9.9
317.11285	33.0
318.09705	0.9
335.12390	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
56.21939	0.5
67.05502	0.7
67.63992	0.5
69.35339	3.2
81.07079	0.8
95.08632	0.7
105.07030	0.6
107.08640	0.8
109.65985	0.5
110.86939	0.5
119.08627	0.5
135.11708	0.5
135.59808	0.4
231.89432	0.5
233.15868	0.5
335.21933	100.0
336.22275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05513	3.5
57.03429	3.9
57.07060	0.9
64.21780	0.5
65.03936	0.6
67.05508	14.2
69.07071	2.5
70.04572	1.1
70.04974	1.3
72.04522	0.7
79.05498	7.8
81.06591	0.9
81.07059	14.2
83.08620	1.7
89.01875	0.5
91.05480	3.8
93.07054	8.8
95.04945	0.7
95.08611	11.6
97.10170	0.9
101.07887	0.5
101.10579	0.5
105.07034	3.8
107.08599	5.1
109.10173	4.5
115.54682	0.5
117.07030	1.5
119.08566	2.2
121.10146	4.5
121.73110	0.5
123.11719	2.0
131.08571	2.0
133.10132	3.2
135.11705	3.0
143.08598	0.5
145.10095	1.7
147.11676	1.8
149.09694	0.6
149.13258	1.7
159.11685	1.3
161.13301	1.2
163.14787	1.6
173.13214	1.3
175.14787	0.5
187.14824	0.7
215.38882	0.6
219.08171	0.6
226.44382	0.5
235.12955	0.8
243.21132	2.6
261.22266	2.8
289.08438	0.5
291.50366	0.5
314.40045	0.5
317.24707	0.6
335.21881	100.0
335.25803	24.9
336.22260	0.8
340.04385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13575	1.7
56.96572	17.5
62.43636	1.8
65.03959	2.0
68.98292	2.0
69.03419	5.7
70.06598	2.1
70.95263	4.1
70.98115	5.1
72.08151	3.3
75.58270	1.9
79.05486	2.6
82.99850	4.8
84.08167	2.4
84.96021	2.6
85.02897	5.9
91.05494	14.3
92.05812	4.9
97.02879	3.7
98.97591	42.1
101.00883	31.5
103.02427	2.5
103.05501	2.3
103.89240	2.0
111.82604	2.1
113.00883	8.8
114.10303	2.7
115.02435	6.8
116.98615	11.5
119.01943	34.9
119.04963	14.9
120.05312	2.6
127.02464	2.9
128.98633	3.6
129.03348	3.2
130.06543	4.6
131.00276	2.2
131.01921	22.8
131.05602	9.8
133.01735	3.0
133.03438	4.5
133.06453	3.2
134.99661	3.1
139.02411	2.9
143.00201	4.2
143.01913	85.2
144.98085	6.9
145.03535	11.9
146.99701	4.1
147.01437	3.1
147.04367	24.6
148.04773	5.9
149.01215	4.5
149.06599	8.9
155.01901	24.4
155.05484	3.2
157.03488	6.6
158.99646	8.9
159.05060	4.2
161.01540	3.4
161.02975	92.6
161.05896	2.9
162.73978	1.9
162.99152	3.8
165.05458	2.5
169.03513	8.0
169.07095	2.1
170.99689	2.7
171.05035	6.6
172.97612	4.4
173.01379	3.0
173.02974	25.9
173.06606	27.7
175.04089	8.5
177.00720	5.0
177.05791	3.3
179.02254	2.2
179.07100	3.5
183.05159	2.3
184.04599	2.3
185.02986	6.0
185.06616	33.5
186.99094	2.6
187.04506	7.2
187.08202	4.5
189.00737	3.6
189.02480	2.6
189.05516	18.4
190.05803	4.9
190.98622	4.5
191.07681	8.6
193.05022	2.6
197.03099	6.0
197.06595	2.4
201.06093	2.5
203.03990	11.8
203.07690	15.8
205.00166	11.2
207.06573	8.4
208.06792	3.1
209.06656	2.9
215.04065	7.4
215.07660	16.9
215.11444	2.2
221.03317	3.0
221.05086	18.4
223.01239	11.1
223.06648	7.0
227.07579	2.8
232.99788	3.9
233.03008	2.7
233.05208	2.9
233.08720	5.9
239.04416	12.7
245.05075	2.7
247.01207	3.4
251.01007	2.3
257.08746	7.3
275.06177	20.0
275.09778	41.9
293.01828	2.5
293.10825	100.0
306.01303	1.9
317.07141	3.0
317.12363	3.7
335.02850	3.8
335.06683	12.7
335.12384	78.6
353.07584	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68710	0.6
56.96560	2.3
67.05480	1.0
70.63876	0.7
70.71653	0.7
70.71967	1.5
76.58604	0.8
77.20681	0.8
79.05481	1.1
81.07042	1.0
83.04965	0.7
91.05479	1.2
93.07070	0.7
95.04960	1.0
95.08649	0.8
97.06541	1.3
98.20789	0.8
98.97603	1.8
105.07026	0.9
107.25611	0.7
109.10149	0.8
116.98605	0.7
119.08601	0.7
127.95362	0.6
131.04903	1.0
133.10146	0.7
141.06966	1.0
143.59103	0.7
152.06166	1.2
159.04442	2.1
159.32645	0.7
163.03882	1.0
165.05740	0.5
165.07002	13.0
165.09145	0.7
176.06227	2.4
177.07004	1.8
178.07753	1.9
179.08585	1.5
189.05640	1.6
189.06998	43.5
190.07780	38.6
191.08568	94.4
192.09180	1.3
195.08020	1.7
197.09547	0.8
199.07529	2.0
200.06255	1.1
201.07085	1.5
202.07758	7.4
203.08582	3.0
205.06532	2.4
207.07918	1.0
218.07310	11.8
219.08063	69.8
220.08702	0.8
222.06868	1.2
223.07265	0.7
229.06386	5.0
231.08145	2.3
233.05963	2.0
235.07494	1.0
236.08253	0.8
246.06712	1.9
247.07561	100.0
248.07843	0.7
251.10712	1.5
257.05963	2.0
259.07629	2.4
275.07040	84.9
276.07632	1.4
279.10168	6.7
282.06900	0.8
289.08636	5.5
291.10147	0.9
303.06537	67.0
304.06949	1.1
307.09586	8.2
317.08078	11.7
321.07516	1.3
324.60666	0.7
325.10571	0.7
335.09106	11.4
335.20135	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	335.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75891	0.8
52.30127	0.9
69.07066	1.0
69.16454	7.4
96.11942	0.9
97.96024	0.8
130.53143	0.9
152.06241	1.4
165.06982	11.6
167.08589	1.2
173.63286	0.9
176.06197	2.0
177.06975	1.4
178.07774	1.3
179.08551	1.9
189.06984	45.7
190.07774	39.5
190.09503	2.0
191.08553	96.5
193.84511	1.1
195.08052	1.8
200.06090	1.1
202.07724	7.0
203.08510	3.7
205.06441	2.4
207.08069	1.2
213.64653	0.9
218.07246	13.3
219.08047	74.2
222.06763	1.9
223.07527	1.1
229.06267	4.2
230.07307	1.0
231.07935	1.6
246.06784	3.3
247.07547	100.0
257.05951	1.5
259.07428	1.4
275.07013	86.7
276.07486	2.2
279.10184	5.4
289.08551	5.8
291.10062	1.1
303.06506	71.6
307.09613	7.1
317.08041	12.2
335.09088	8.2
335.29733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58849	1.2
56.96581	2.1
66.27755	1.2
67.05497	3.7
71.54900	2.3
74.06095	1.3
79.05507	2.6
80.69341	1.4
81.07048	4.5
83.08612	1.4
83.49139	1.3
85.02863	1.8
88.07622	4.2
91.05451	2.7
93.07039	3.5
95.08593	3.6
98.97580	3.5
105.07024	2.0
107.08592	3.7
109.10149	2.5
110.97549	2.0
119.08600	3.8
121.10126	6.3
131.08620	1.6
133.10149	3.9
135.08116	1.4
135.11691	4.5
147.11679	1.8
148.11006	1.3
161.13254	2.7
165.06996	13.7
173.13435	1.2
175.14862	1.5
176.06279	2.2
177.07040	1.8
178.07835	1.7
179.08649	1.2
185.13313	1.4
187.14890	2.1
189.06998	39.7
190.07788	38.9
191.08566	92.6
195.08012	1.7
200.06236	1.3
202.07841	7.3
203.08522	2.3
205.06584	2.5
207.08087	1.5
218.07275	10.1
219.01836	1.9
219.08060	69.8
222.06721	2.4
229.06525	3.8
231.08047	2.7
237.02754	2.2
239.97220	1.4
242.24693	2.8
243.25082	2.5
247.07568	100.0
257.22629	2.7
259.07559	1.5
274.92169	1.3
275.07047	94.9
279.03915	1.5
279.10147	5.7
286.27524	1.3
289.08542	5.5
293.13797	1.5
295.52905	1.2
303.06549	70.8
307.09729	6.4
317.08099	13.7
317.24869	3.5
321.07440	1.9
334.29453	5.7
335.09134	6.2
335.21890	78.4
335.29822	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	335.0736
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
52.98027	3.7
54.60802	4.3
69.52902	27.4
69.53310	11.2
82.18688	4.0
97.71301	5.1
131.14032	4.3
180.11790	4.3
223.97752	5.2
335.07413	100.0
335.09515	36.3
335.13354	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	335.074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55530	2.3
55.01886	2.6
56.96556	3.6
57.03425	5.8
61.02921	7.7
69.03417	8.6
69.89976	5.4
69.90367	5.3
73.02918	2.5
85.02906	9.9
88.05648	2.5
91.05467	2.8
93.01884	2.6
97.02887	7.2
98.97584	9.2
101.00871	9.7
113.00861	3.9
113.03501	7.8
119.01909	10.7
119.04935	5.4
122.97104	2.1
127.02440	2.8
127.03906	3.9
131.01880	4.3
133.03438	3.3
141.04082	2.3
143.01913	10.9
145.03484	5.0
148.04680	2.7
155.01895	5.2
157.03462	9.2
161.02985	4.1
173.03053	5.0
185.03008	3.2
185.06577	3.0
187.00827	2.9
189.17706	2.5
203.03865	2.8
205.05499	3.0
206.05367	3.1
206.55377	4.4
214.04034	4.4
215.05998	2.7
219.01828	3.1
221.05042	4.1
223.06638	7.1
224.06848	2.6
233.08527	2.8
244.09648	4.8
283.58447	2.3
291.09277	2.6
303.05640	5.0
335.07434	100.0
335.13132	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	335.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93694	0.8
53.03926	0.7
56.96546	1.3
57.07059	0.9
61.60926	0.8
65.35355	0.8
67.05488	1.3
70.06574	2.8
70.71729	1.7
78.47587	0.6
81.07007	0.8
83.71195	0.7
86.85551	0.9
88.07623	1.5
92.13087	0.7
104.65334	0.8
115.05443	3.0
121.02868	1.6
132.10144	0.9
139.05420	4.2
140.06223	4.0
141.06995	9.4
142.23741	0.8
149.02328	1.0
152.06221	1.1
155.04875	2.2
165.06984	6.5
167.03452	2.2
167.08485	1.0
169.06491	10.2
172.05127	1.7
176.06189	2.3
177.07021	1.6
178.07741	1.7
179.08543	1.1
181.06557	1.0
189.05490	1.6
189.06985	22.9
190.06334	0.6
190.07776	19.9
191.08545	56.4
197.95393	0.7
199.07538	100.0
201.07016	1.3
202.07759	8.9
203.08493	4.5
205.06403	7.3
207.07938	0.9
218.07265	6.8
219.08049	36.5
222.06677	0.9
228.23187	1.9
229.06366	6.0
229.23662	1.2
230.07304	0.9
231.07999	7.8
233.05968	2.7
246.06711	1.5
247.07547	52.2
249.05441	1.2
257.05972	6.7
259.07541	28.4
272.25784	3.3
273.05530	6.1
273.26169	2.9
274.06277	1.2
275.07022	56.3
276.07541	1.0
279.10059	3.0
285.05463	4.2
289.08478	1.7
291.06442	2.0
303.06497	52.6
307.09616	4.3
317.08118	4.4
321.07599	7.1
334.29459	8.8
335.09171	11.7
335.29880	10.2
353.10101	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
55.48680	0.8
56.96562	1.3
57.03428	1.5
57.07062	1.1
59.30691	0.8
62.64314	0.9
63.86641	0.7
67.05493	2.7
69.07078	1.3
69.51386	4.9
71.08624	0.9
79.05520	2.0
81.07053	3.2
85.02916	5.8
89.60003	0.7
91.05492	3.1
92.97388	0.8
93.07039	2.5
94.45061	0.8
95.08614	2.0
98.97758	1.1
98.98469	14.8
101.75667	0.8
105.07033	3.6
107.08643	1.6
109.10146	1.2
115.03942	0.9
119.08596	2.7
119.21262	0.8
121.10152	1.0
131.08575	1.5
133.10152	1.9
141.01907	1.5
145.10088	1.2
147.11687	1.1
157.01326	1.0
157.10118	0.9
159.11568	0.8
176.98964	1.9
189.05470	1.8
189.07054	1.0
193.04927	1.9
224.65709	1.2
241.79678	1.0
259.20862	1.0
263.10153	0.8
324.19446	1.0
333.17038	3.9
333.20380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04005	0.6
55.05510	2.0
56.96554	1.9
57.07066	0.8
67.05507	2.5
69.03423	1.1
69.07053	1.6
71.55620	1.1
71.55973	0.7
79.05501	2.4
81.03439	1.8
81.07034	3.3
83.04989	0.7
83.08640	1.4
91.05484	2.0
93.07046	2.4
95.04988	1.2
95.08614	2.3
97.03034	0.7
97.06564	0.9
98.98476	9.4
100.98901	0.8
105.07029	15.4
105.07693	1.0
107.08608	2.6
109.10140	1.3
119.08581	2.8
121.06509	2.4
121.10154	1.9
131.08557	1.7
133.10132	1.2
135.08025	1.1
147.11647	1.4
147.34033	0.6
149.13354	0.8
159.11754	1.0
176.98978	1.1
193.12344	0.8
211.13326	2.1
267.09406	0.8
269.10599	0.9
289.21573	0.9
332.34424	1.4
333.20416	100.0
333.24228	12.5
333.34628	9.2
338.74380	0.7
351.18381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	PGB3
Peak:m/z	Relative Intensity
55.01632	0.9
66.53466	0.9
67.05492	2.5
71.05647	2.2
79.05498	1.3
81.07029	3.6
82.93256	1.2
93.07025	1.8
98.98465	10.5
107.08601	1.7
111.04410	1.2
119.08559	1.9
176.98918	1.4
189.11017	1.0
196.46584	1.0
240.87300	1.0
315.19296	27.9
332.66733	1.1
333.20370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.6
53.03940	3.7
53.05130	1.5
55.01870	2.4
55.05508	9.3
56.55057	1.5
57.03423	5.8
59.23560	1.4
61.53405	1.6
62.72139	1.6
67.05506	14.3
69.03424	3.5
69.07068	44.2
69.29588	8.4
69.30008	6.1
79.05481	14.9
80.04989	1.5
81.03422	85.7
81.07063	14.2
83.04967	5.7
83.08620	23.7
91.05492	18.4
93.07050	9.4
94.06521	1.8
95.04971	27.1
95.08608	4.4
97.02889	2.6
97.06538	8.9
97.10149	2.1
98.97541	2.3
99.00823	4.0
103.05470	9.0
105.07034	15.5
107.04952	9.0
107.08573	4.5
109.02841	2.0
109.06503	4.3
111.04439	1.8
111.08076	10.0
118.06566	2.5
119.04929	4.6
119.08607	12.3
120.08106	36.2
121.06490	3.7
121.08420	3.8
121.10126	4.7
122.06023	4.3
123.04394	2.7
129.07007	8.9
131.08545	6.1
133.06458	2.5
133.08864	6.8
133.10121	10.6
135.06816	3.2
136.07545	3.9
137.05928	3.0
138.05521	1.7
140.07028	3.5
142.07718	1.8
145.08897	1.6
146.06007	6.6
146.09583	2.4
147.04402	1.8
147.08037	3.5
147.11642	4.5
148.03922	1.9
148.11209	64.0
149.09622	4.8
149.11545	5.1
150.05515	37.0
157.10109	12.6
161.09586	5.0
165.05461	4.6
165.12715	2.2
166.04991	13.0
172.11136	2.2
174.12759	3.1
175.11189	11.0
176.03397	4.3
179.10715	2.3
189.08992	2.1
190.12389	2.1
193.12248	100.0
200.10628	3.8
202.12187	4.2
211.13260	8.9
218.11700	11.7
225.11186	6.4
228.10242	7.7
243.12094	1.9
246.11273	13.6
267.15927	64.8
271.10684	1.8
285.14078	3.2
285.16986	44.4
287.10361	3.7
289.11865	5.8
299.10272	2.7
299.11398	2.3
299.14944	20.7
311.04343	1.6
311.15619	4.7
311.65851	1.5
317.11279	12.5
334.23871	2.1
335.12466	14.3
336.92487	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92212	1.7
55.01868	3.3
55.05504	3.9
56.96561	4.8
57.03419	2.7
57.07060	5.5
66.66916	1.8
66.69748	1.8
67.05510	18.2
69.03423	2.5
69.07080	9.6
71.08614	10.2
71.55110	2.3
72.04519	79.7
79.05512	9.1
81.07063	23.2
83.08626	2.4
83.20593	2.4
85.06520	2.7
91.03899	1.7
91.05484	12.4
93.07045	13.9
95.04977	16.6
95.08614	26.9
97.06519	5.5
98.97591	3.6
98.98473	3.2
99.08073	4.6
100.07638	2.6
105.07028	8.2
107.08604	15.2
109.06513	20.7
109.10143	5.8
114.09167	17.1
116.98583	2.3
119.08575	6.2
121.06496	2.8
121.10124	3.5
123.08049	3.6
128.10687	7.9
131.08536	3.1
133.10146	12.1
135.08080	3.3
135.11690	2.3
137.09561	2.9
140.10686	2.8
142.12283	5.5
143.08636	2.0
145.10106	3.4
147.11679	3.8
149.09583	2.3
149.13231	3.8
151.11365	1.8
154.12212	2.1
156.13832	2.5
165.12761	100.0
173.13284	6.8
175.11188	3.3
180.13812	1.9
182.15388	15.0
184.13353	2.4
184.17033	2.6
191.14317	8.5
201.12732	6.8
212.16420	10.3
220.17007	14.0
229.07463	1.8
229.19550	2.8
236.20100	42.7
267.09036	2.5
271.20612	5.9
285.10178	2.8
289.21542	9.4
316.26334	8.7
334.27417	89.0
335.25717	9.5
356.94122	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.7
56.95194	1.2
57.03444	16.8
58.06570	1.6
66.03526	1.6
67.05497	4.3
68.05016	2.6
70.06607	2.7
70.21090	4.1
70.87719	1.4
71.04977	6.6
73.18265	1.3
77.23516	1.3
79.05504	1.8
81.07047	2.4
82.06561	2.2
84.04486	2.3
84.08141	3.2
86.09694	5.0
87.10025	2.0
91.05476	3.7
94.04167	1.6
94.06567	1.9
95.04969	1.5
96.04474	2.0
98.21521	2.0
98.97607	1.3
98.97826	1.8
98.98473	20.4
102.05565	1.6
105.03393	2.5
109.02882	2.1
109.10154	3.5
112.07620	2.1
114.05512	4.3
116.99468	1.5
120.04469	2.2
122.03664	3.3
123.04439	3.0
124.07607	2.4
125.07886	1.6
128.10727	2.8
130.06534	23.4
132.04427	3.8
137.05981	38.5
144.08096	3.9
146.06010	26.8
153.09122	4.7
154.06613	2.0
156.06694	1.7
156.08025	1.8
157.07597	24.9
158.05994	13.3
160.07617	3.1
163.03902	4.0
167.07056	41.1
168.06728	2.4
168.08110	3.1
169.07620	22.0
170.06017	3.2
171.09128	4.3
171.10344	2.4
174.05565	1.9
175.08693	2.4
176.98956	3.4
180.08125	1.5
182.05972	2.4
182.08391	4.8
183.06761	2.9
183.09174	2.0
184.09982	2.7
185.07133	4.0
185.10719	3.7
186.09225	3.0
187.08691	5.6
188.07030	3.3
194.08411	1.6
195.09178	11.8
196.07535	2.9
196.09953	3.2
197.07072	6.9
197.10773	7.9
198.07684	6.9
198.09428	2.1
199.08725	11.3
203.08189	29.6
212.09445	16.2
213.10257	32.9
215.08185	7.1
215.11804	4.9
221.09244	3.1
223.08690	2.3
225.10260	4.8
226.10997	2.3
241.09734	19.9
242.11798	2.5
243.07611	3.7
243.11374	7.2
244.08391	15.7
251.11813	2.3
253.13367	4.0
259.10788	38.2
261.08789	7.4
269.12857	35.8
271.14471	2.4
287.10818	1.9
287.13824	8.6
288.09915	6.5
297.12390	12.7
297.15454	2.2
315.10040	4.2
315.13376	100.0
333.10791	3.1
333.14450	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12273	0.7
55.10739	0.7
56.96573	1.5
57.03442	0.9
57.07062	1.5
67.05481	2.1
69.03432	1.0
69.46961	1.5
69.47359	4.2
70.89663	0.8
79.05492	1.5
81.03395	0.6
81.07040	2.2
85.02901	1.8
88.07594	0.9
91.05486	2.1
93.07056	1.6
95.01308	0.8
95.08572	1.3
98.21450	1.7
98.97752	0.9
98.98469	18.7
100.98878	1.3
102.09150	0.6
105.07028	3.0
107.08605	1.4
110.88660	0.7
119.08597	3.2
128.48448	0.8
131.08598	1.0
133.10121	2.1
147.11636	1.3
159.11671	1.8
161.13304	0.8
176.98927	3.0
189.05476	1.0
193.04987	1.6
195.09933	0.8
195.35861	0.8
215.11406	1.1
227.37543	0.8
253.13077	1.7
271.14096	0.9
287.11658	1.9
333.07773	1.9
333.16754	6.9
333.20374	100.0
333.24716	5.2
333.31821	1.7
333.76022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	PGB3
Peak:m/z	Relative Intensity
54.18275	0.3
55.05511	0.3
56.26859	0.3
56.96560	0.6
67.05478	0.4
69.60182	1.3
69.60595	0.6
79.05470	1.0
81.07058	0.9
88.07638	0.3
91.05516	0.6
93.07034	0.6
95.08618	0.7
98.98473	1.9
101.64671	0.3
105.07016	0.6
107.08564	0.8
119.08558	0.9
121.10148	0.5
133.10132	0.6
147.11684	0.4
149.02361	0.4
193.05006	0.4
247.13155	1.9
262.87888	0.3
287.20169	0.3
310.64670	0.3
312.13968	0.3
312.74258	0.3
315.19305	5.8
333.20370	100.0
334.20627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04256	0.4
57.03458	0.4
60.61794	0.4
69.07082	0.5
71.00191	0.7
79.05488	0.7
82.14616	0.4
82.32085	0.4
93.07063	0.7
98.98465	1.9
105.07032	0.8
119.08581	0.5
131.08563	0.4
133.10139	0.5
138.91289	0.5
176.98825	0.5
218.92627	0.4
219.18564	0.4
299.94739	0.4
315.19299	0.5
333.20370	100.0
334.20547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
56.96564	1.3
57.03422	1.5
57.07076	0.7
62.37246	0.4
67.05510	2.8
68.99790	0.7
69.07044	0.9
69.39126	1.4
69.39540	2.4
71.59475	0.5
78.24175	0.5
79.05480	1.8
81.07056	2.8
85.02908	4.9
91.05493	2.8
91.76545	0.5
93.07037	3.2
95.01292	0.7
95.08611	2.1
98.20808	0.9
98.97578	1.7
98.98472	3.5
105.07044	3.2
106.56754	0.5
107.08585	2.1
109.10185	0.6
111.00804	1.0
113.02378	0.8
115.16483	0.5
119.08587	3.0
121.10149	0.9
123.07999	0.6
131.08565	1.7
133.10115	2.6
135.11697	0.7
137.05971	0.6
139.00247	1.0
141.01840	1.5
145.10138	1.0
147.11696	1.7
149.13327	0.6
153.09114	0.6
157.01266	1.3
159.11708	1.4
161.13347	0.8
173.13251	0.7
175.14789	0.6
185.13242	0.7
199.14880	0.5
219.77217	0.6
241.19502	2.1
259.20584	1.1
263.12741	1.1
315.18716	0.6
333.20395	100.0
333.24158	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	333.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62120	0.7
54.92390	0.8
56.96554	4.0
60.04505	2.2
61.02922	0.8
62.54098	0.8
67.05499	1.0
69.03411	2.9
70.06577	1.1
70.20773	1.4
70.21178	1.7
72.08129	1.3
73.02881	1.0
76.52718	0.8
81.03407	1.3
81.07040	1.4
84.08138	1.4
84.96004	1.2
85.02905	4.8
86.09715	4.2
87.09994	1.1
89.03873	1.9
91.05487	5.1
95.04957	0.8
95.08565	1.4
97.02865	1.8
98.20853	1.0
98.97559	8.1
98.98436	16.1
100.98853	1.1
107.04915	2.8
108.08086	3.5
109.02861	1.4
109.06465	0.9
109.08447	3.8
110.97555	1.3
116.98596	2.6
119.04925	5.1
121.06464	2.0
124.07588	0.9
125.07929	1.0
127.03879	1.5
129.03374	1.5
129.10149	1.1
135.04463	3.9
136.06134	1.1
137.05994	1.5
141.44508	0.7
143.00130	1.3
145.02737	1.6
147.04405	6.3
149.05981	2.1
151.07430	1.5
152.07022	2.5
153.05411	1.6
153.07355	1.8
153.09137	1.7
155.01793	1.0
158.99635	3.4
161.01192	1.3
161.05933	1.9
163.03928	11.0
164.04202	1.7
165.05522	0.9
171.06299	100.0
175.03874	2.0
176.98958	1.1
177.00696	1.8
177.02112	1.1
179.07085	1.3
185.04216	12.5
189.05473	5.9
191.03873	0.9
207.06464	2.7
219.01743	1.8
221.04933	1.4
221.06828	2.0
231.01717	1.0
237.02690	1.8
243.07062	1.1
249.02658	1.3
261.08215	1.7
279.07404	3.8
287.10742	1.5
289.07727	1.1
307.08716	1.1
315.12585	3.0
321.08536	5.2
333.02701	1.2
333.11417	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	331.2842
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.97647	1.4
55.05512	13.3
57.03436	7.0
57.07077	100.0
66.73518	1.3
67.05513	23.8
69.07070	18.5
69.32870	2.9
69.33271	10.6
71.08634	66.6
75.04470	3.5
79.05486	1.7
81.07059	35.4
83.08163	2.0
83.08627	28.3
85.06538	1.7
85.10184	36.3
90.68893	1.4
93.07043	2.7
95.08614	58.8
96.56515	1.4
97.10165	12.8
98.98466	31.0
99.11749	3.0
105.07023	1.8
107.48286	1.5
109.10157	27.1
109.10854	2.2
111.11716	4.0
121.10125	2.4
123.11704	12.2
125.13249	3.1
127.03868	1.7
135.11658	1.7
137.13243	7.1
139.14870	1.7
151.14825	3.1
165.16402	2.6
176.98933	1.7
179.56239	1.4
221.22623	2.9
239.23701	29.2
251.26947	1.7
257.24808	8.5
313.27365	78.7
331.08209	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	331.2841
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.91705	1.4
55.05299	1.4
55.05511	13.3
57.03441	7.3
57.07077	100.0
67.05177	2.4
67.05508	26.9
69.06744	1.4
69.07076	17.4
69.38393	9.0
69.38791	2.6
71.08633	69.8
75.04469	4.1
81.07059	33.3
83.08160	2.0
83.08627	28.0
85.10188	37.2
85.45337	1.4
89.06017	2.5
93.07026	2.2
95.08607	53.9
97.10155	15.5
98.98466	33.4
99.11714	2.7
109.10160	26.8
109.10874	3.1
111.11717	4.7
113.13242	1.6
123.11703	17.0
137.13264	5.1
149.64563	1.5
151.14836	3.3
154.54643	1.4
165.16382	1.9
176.98938	4.3
221.22729	2.4
239.23677	31.5
257.24756	5.8
308.49960	1.4
313.27356	88.9
326.79367	1.6
331.18744	3.7
331.22464	1.8
331.33942	12.7
334.25531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18777	1.3
53.00266	1.5
55.05513	11.1
56.44269	1.4
57.03430	5.7
57.07078	100.0
67.05515	22.4
69.07069	15.4
70.06574	2.0
71.08636	70.3
75.04485	3.9
79.05478	1.7
81.07057	29.3
83.08623	27.0
85.10190	38.1
88.07622	2.7
95.08615	47.3
97.10172	10.9
98.98470	36.3
99.08128	1.8
99.11744	3.5
106.08674	2.7
107.10588	1.3
109.10160	24.4
111.11707	2.5
112.55096	1.6
121.10102	1.8
123.11713	12.5
125.13260	2.1
127.07147	1.4
135.36461	1.6
137.13266	5.3
138.83839	1.4
151.14880	3.1
165.16396	1.6
176.98946	3.6
221.22742	2.7
239.23698	22.7
257.24866	6.3
313.27383	72.5
331.08051	2.6
331.30304	2.6
331.34015	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
50.77099	1.5
55.09592	1.3
57.03444	1.5
60.10472	1.3
61.02921	8.6
67.05493	3.0
69.03416	6.7
70.06566	2.2
72.08169	1.5
73.02924	2.6
79.05461	1.5
81.03416	3.0
84.04491	3.3
85.02905	14.0
86.06044	1.3
86.09695	8.4
87.04430	3.2
87.86819	1.2
91.05490	1.5
96.08099	2.2
97.02879	5.8
98.21640	2.7
98.98476	11.6
99.04469	1.4
106.06546	3.9
108.08117	100.0
108.15533	1.5
117.05537	1.3
118.79626	1.3
119.01915	3.7
119.04932	3.3
123.06791	4.3
124.07594	15.0
127.03926	2.5
133.03389	1.4
134.06001	9.1
136.07574	13.4
145.03543	1.8
145.04849	1.8
152.07063	73.5
154.08638	2.1
161.02943	2.2
163.03915	6.2
167.01694	1.6
169.03447	2.1
170.08101	6.6
177.02510	1.7
180.05754	1.7
188.02551	1.9
189.05469	3.2
197.02959	3.4
199.13646	1.4
203.03931	1.6
215.00467	1.4
218.03436	2.5
220.17346	1.6
224.04886	1.6
227.04051	3.2
245.05336	1.5
289.03766	1.4
314.12280	35.7
321.10358	2.0
332.13388	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1752
Annotation	Iridodial glucoside
Peak:m/z	Relative Intensity
52.96016	1.0
53.03950	2.7
55.05512	12.1
57.03424	2.0
57.07075	4.6
59.05010	1.3
61.02961	1.0
67.05507	18.0
69.03436	11.0
69.07062	4.4
69.69214	4.0
69.69628	2.7
71.04995	9.5
79.05490	7.9
81.03423	9.8
81.07063	100.0
83.08615	3.0
85.02910	12.1
85.06545	6.0
89.06014	2.5
91.05475	2.9
93.07051	8.2
95.04996	5.9
95.08609	16.7
97.02896	4.9
97.06569	1.4
97.10172	9.7
98.98475	43.8
105.07034	2.7
107.08607	3.7
109.02886	4.8
109.06544	3.9
109.10171	3.3
111.08094	2.5
121.10100	1.1
123.08088	1.3
123.11713	75.0
127.03905	5.5
133.10132	4.1
141.12758	4.0
151.11211	13.1
169.12247	34.6
174.99242	2.5
176.98955	3.8
187.13307	14.0
218.84778	1.2
285.08646	1.3
313.16519	4.3
331.08163	1.4
331.11816	1.9
331.17520	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	331.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	0.7
57.78251	0.7
67.05515	1.1
69.07069	1.1
69.82305	2.4
69.82697	1.3
71.16763	0.8
81.07050	1.2
95.08572	0.7
98.98466	96.5
100.98886	2.1
105.07021	0.9
109.05315	0.9
116.99487	1.7
127.03903	2.7
133.81561	0.8
140.01079	1.0
174.99208	3.8
176.98906	9.3
201.93419	1.0
252.52934	0.8
252.99727	1.7
271.08392	1.2
273.04120	0.9
287.36255	0.8
289.09769	1.1
301.03296	1.5
316.05933	3.7
321.12994	0.9
331.08179	6.6
331.18793	100.0
331.34033	1.5
349.17484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05499	10.2
56.96551	4.9
57.03428	5.6
57.07072	85.1
64.61237	1.6
67.05502	23.5
69.07069	15.5
69.90439	8.3
71.08234	3.5
71.08628	57.7
75.04475	3.1
79.05487	1.9
81.06585	3.2
81.07050	34.5
83.08610	24.1
84.50383	1.9
85.10177	31.0
93.07017	3.0
95.08598	48.5
97.10148	10.0
97.99137	2.3
98.21488	2.0
98.98459	100.0
107.08570	3.0
109.10162	26.8
111.11739	2.1
119.08542	1.9
121.10183	2.9
123.11718	10.6
125.13261	3.7
127.03935	4.9
133.10139	3.7
137.13237	7.0
151.14853	1.8
174.99239	3.9
176.98927	12.4
177.05858	1.8
201.49506	1.6
207.18964	1.6
212.51875	1.6
221.22581	2.9
239.23642	25.7
247.88306	1.6
252.99661	1.9
257.24734	5.6
278.68747	3.7
301.03516	3.2
313.27344	62.3
316.05713	3.5
331.08035	6.8
331.26303	4.3
331.33917	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	331.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01872	0.4
55.05503	0.2
56.96550	0.5
57.03427	0.7
57.07061	0.3
58.41123	0.2
61.02954	0.5
67.05495	0.6
69.03431	2.3
69.07064	1.4
69.68014	1.0
69.68427	0.4
70.06583	1.1
71.04973	0.3
72.08148	0.3
73.02915	0.4
79.05493	0.6
80.05019	0.2
81.03423	0.8
81.07056	1.9
84.04506	0.5
84.08125	0.3
85.02909	3.6
86.09715	0.7
87.04491	0.4
91.03963	0.3
91.05484	0.9
93.07054	0.6
94.06573	2.2
95.04966	0.7
95.08619	0.6
97.02879	1.3
97.06532	0.4
98.21536	0.2
98.98470	31.5
99.08101	0.7
100.98895	0.7
105.07059	0.4
107.04964	0.6
107.08620	0.4
108.92642	0.3
109.02882	0.7
109.10176	0.2
110.06031	0.5
112.07595	0.3
112.80451	0.3
115.03931	0.3
116.04993	0.3
116.98653	0.3
116.99494	0.5
122.06041	4.4
123.04444	0.4
123.08041	0.3
123.11808	0.3
124.07600	0.7
127.03923	1.0
129.06694	0.3
129.10277	0.3
131.08595	0.2
137.05957	0.3
140.07069	6.9
140.08109	0.5
141.07816	0.4
144.04468	1.0
145.04991	0.4
146.06010	3.3
147.04411	0.3
148.07620	1.3
151.07570	0.7
151.11214	0.4
153.05573	0.2
153.12784	0.3
162.05498	0.5
163.03926	0.4
168.06863	0.3
169.07613	100.0
170.08047	0.5
172.03949	2.9
174.05537	0.5
174.99236	1.4
176.98938	3.1
181.06532	0.3
190.05002	12.7
192.06609	1.2
213.05536	0.3
247.58360	0.2
252.99788	0.7
271.09683	0.5
286.10764	0.4
301.03442	0.3
301.17538	0.3
313.11801	0.8
316.05768	0.4
316.09189	0.3
331.08328	1.4
331.12906	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	331.0812
Annotation	Malvidin
Peak:m/z	Relative Intensity
51.99667	0.2
52.76932	0.3
58.16134	0.2
62.52620	0.3
69.03411	0.2
69.07029	0.4
69.25777	0.5
69.26202	1.7
69.52184	0.2
76.46791	0.2
79.05489	0.3
91.05423	0.3
97.06486	0.7
98.98468	15.5
100.98810	0.4
105.06989	0.4
114.30545	0.2
127.03886	0.4
136.01486	0.3
153.01768	1.0
173.09419	0.3
174.99217	0.9
176.98917	1.8
178.02614	0.5
179.07080	0.4
213.05394	0.5
241.05026	0.6
242.05740	4.4
253.04895	0.4
255.02991	0.3
258.05222	4.2
269.04373	0.4
270.05252	10.6
273.03937	2.4
285.04031	0.7
286.04715	1.4
287.05533	5.3
298.04816	0.5
299.05502	0.8
299.09488	0.3
301.03391	2.2
302.04245	2.8
313.03372	2.2
315.04990	45.8
316.05740	5.0
331.08124	100.0
332.08389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01864	4.6
55.05515	41.2
57.07091	1.8
65.65070	1.3
67.05509	17.5
69.03420	7.2
69.07063	10.3
69.48767	5.9
69.49188	3.8
71.08625	2.6
75.65432	1.2
79.05502	10.6
81.03427	3.0
81.07057	13.6
83.04987	2.4
83.08620	32.1
85.06541	1.7
87.04456	1.4
91.05483	3.2
93.07045	6.9
95.08614	3.4
97.10177	62.9
98.20788	2.9
98.31607	1.2
98.98467	42.9
99.08095	1.7
100.29102	1.3
105.07073	2.7
107.08591	16.5
109.10163	3.7
111.08107	1.7
117.07043	1.4
119.08559	1.6
121.10178	2.8
123.11610	1.3
125.09636	53.7
133.10149	1.6
135.08044	4.3
135.11685	2.2
143.10698	3.4
145.10167	1.7
147.11736	2.1
148.70599	1.4
151.11237	4.1
153.09169	4.4
161.13246	2.2
161.47342	1.3
171.10191	18.3
174.99297	3.0
176.98984	2.3
189.11230	100.0
211.16928	1.7
241.19527	1.7
259.20416	2.4
261.76199	1.5
277.21646	56.8
278.22003	1.5
295.22733	13.0
330.25174	1.5
331.15955	2.1
349.16852	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64279	2.4
55.01871	5.0
55.05505	20.0
57.03416	4.4
57.07061	9.4
65.63635	2.5
67.05500	29.9
69.03412	4.8
69.07060	22.0
69.47083	7.1
69.47500	9.2
71.04981	3.6
71.08609	8.0
73.02894	2.6
74.06063	3.0
79.05491	24.2
81.07052	36.7
83.04975	11.9
83.08608	13.0
84.04486	6.5
85.06561	2.6
87.04469	6.3
91.05483	14.3
93.07038	26.8
94.07355	3.1
95.04958	4.8
95.08614	27.6
96.08937	4.5
96.84843	2.6
97.06505	6.8
97.10167	5.7
98.21624	2.2
98.98466	100.0
99.08080	7.3
102.05529	3.3
105.07008	10.8
107.08598	18.0
109.10184	11.0
111.08041	2.7
116.22587	2.1
116.99488	2.1
117.07005	4.7
118.49598	2.5
119.08587	8.6
120.06554	4.8
121.09319	2.3
121.10111	13.6
123.11727	2.8
125.09595	4.1
130.04956	5.4
131.08611	4.2
133.10164	11.5
135.11710	16.0
139.11145	14.3
145.03419	2.4
147.11649	5.8
148.06056	5.6
149.13248	15.1
150.13547	4.6
151.11133	6.1
157.10103	3.6
159.11674	6.3
161.13242	7.9
166.00522	3.2
173.13269	3.3
174.99185	6.4
176.98938	9.0
177.12698	5.0
189.11176	5.3
193.12262	3.3
195.13829	23.4
213.02347	3.0
221.26337	2.8
244.78159	2.4
254.99559	2.9
270.27747	3.2
277.21591	26.8
295.22647	15.2
330.29962	11.2
330.33591	5.0
331.08032	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
55.05505	4.5
56.50428	0.9
56.96566	1.5
57.03450	1.3
57.07074	1.4
61.02929	1.0
67.05180	1.2
67.05508	11.3
68.05845	1.2
69.03371	1.2
69.07071	4.8
71.04977	1.4
71.08624	2.1
71.40112	2.2
79.05495	8.8
81.03397	1.1
81.07058	12.5
83.04984	2.7
83.08612	3.7
85.06519	1.1
86.44009	1.0
87.04455	3.2
88.07616	1.2
91.05502	5.0
91.35858	1.2
93.07043	9.9
95.04942	1.9
95.08627	5.4
97.06496	1.1
98.98471	100.0
99.08128	1.1
100.98856	1.4
105.07067	4.6
107.08611	5.5
109.10178	5.2
110.15350	0.9
111.08061	1.9
116.99495	1.8
117.07005	1.3
119.08582	4.3
120.08875	1.1
121.10153	3.2
123.11767	1.9
127.03892	1.0
131.08559	3.2
133.10133	3.4
135.11702	3.1
139.11185	3.8
144.48923	1.0
147.11716	1.8
149.13242	5.8
159.11685	2.6
161.13167	2.3
173.13284	1.3
174.99286	4.5
176.98959	8.7
177.12733	1.5
177.99207	1.3
193.12276	1.8
194.39699	1.0
195.13852	9.7
198.45406	0.9
201.10522	0.8
213.15018	1.1
227.93483	1.0
241.19630	1.5
252.99631	1.9
254.99524	1.0
273.03937	1.4
277.21762	5.6
285.10098	2.7
286.10364	1.7
295.22641	4.5
316.05865	1.4
326.35471	1.0
330.25095	4.3
330.29929	3.9
330.33331	2.0
331.08069	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05511	11.7
56.96581	1.0
57.07082	9.6
62.93634	0.9
65.03959	0.9
67.05512	14.2
69.07072	22.2
70.94389	2.2
71.05002	1.2
71.08633	6.7
71.35602	0.9
79.05502	7.9
81.07059	38.0
81.07538	2.0
83.08623	18.8
85.10174	2.6
88.07466	1.0
91.05470	4.0
92.34862	1.1
93.06483	2.0
93.07046	21.3
95.08610	39.8
96.08935	1.1
97.06525	1.3
97.10169	8.6
98.98470	100.0
99.08079	1.0
105.07008	2.5
107.08600	22.3
109.10156	19.1
111.08102	3.3
111.11724	4.5
116.99509	1.7
119.08599	2.0
121.10155	11.6
123.11720	11.8
125.13255	2.5
131.08533	1.1
135.11710	9.0
137.13295	3.2
139.11197	1.9
149.13255	21.9
151.14828	2.3
158.26257	1.0
163.14856	8.3
165.16486	2.0
167.55444	1.1
174.99222	9.3
176.98909	4.2
177.16425	1.8
179.17923	1.7
193.19321	0.9
200.06570	1.1
219.21173	1.3
229.07433	1.5
236.54425	1.0
267.09131	1.0
275.27258	7.8
293.28473	8.8
329.24673	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	330.1183
Annotation	Lithospermoside
Peak:m/z	Relative Intensity
53.03944	2.1
55.01868	1.0
56.05038	1.8
56.96570	3.3
57.03432	1.6
58.16016	1.1
61.02916	2.6
67.05518	7.8
69.03436	8.0
69.07072	1.5
70.06597	10.3
71.54338	1.7
72.08157	3.9
72.09490	1.0
73.02911	3.2
74.06093	6.3
75.49184	1.0
79.05499	2.1
79.68199	1.0
81.03410	2.0
81.07076	1.1
84.04512	2.3
85.02910	11.2
86.09709	13.3
87.04464	1.7
88.04012	2.0
91.05490	5.2
94.06567	6.0
95.04990	2.1
95.06104	4.4
97.02882	5.2
97.97582	1.0
98.97604	5.5
98.98472	90.4
99.98888	1.3
100.98930	1.1
107.04992	1.3
109.02921	1.5
110.97581	1.5
115.03978	1.0
116.07098	11.3
116.98625	2.2
116.99496	1.2
119.04962	4.0
122.06030	14.0
124.07723	1.2
127.03916	3.2
130.08655	3.4
134.06087	1.3
135.04446	1.4
140.07089	1.9
141.10258	2.5
142.08636	1.3
145.02887	2.1
145.05005	2.0
147.04413	5.8
150.05508	75.1
152.10732	1.3
156.10258	2.5
158.99744	2.8
163.03946	4.8
168.06569	100.0
174.99229	5.7
175.03929	2.0
175.99570	1.6
176.98975	4.2
177.00761	1.7
177.05457	1.4
177.99315	1.4
187.10652	1.3
189.05533	4.5
192.06596	1.9
201.12331	14.5
201.14014	1.5
203.84821	1.0
207.06551	3.1
212.06310	1.5
218.06404	1.5
223.04530	1.2
229.03770	1.1
229.11893	5.9
235.06017	1.4
240.06558	1.4
253.03554	1.1
286.11819	5.1
315.07751	3.0
330.11908	43.7
330.15756	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73332	0.9
53.03932	1.7
55.01879	4.8
55.05516	8.3
56.60910	0.9
56.89563	0.9
56.96556	2.5
57.03420	1.5
57.07070	2.3
65.03926	1.5
66.89162	0.9
67.05502	22.8
68.05850	1.0
69.03426	1.4
69.07066	8.2
70.06149	4.1
71.04989	2.9
71.08571	1.1
72.80489	1.1
73.69467	1.0
77.97525	1.0
79.05486	10.6
81.03416	2.2
81.07055	20.0
82.07380	1.2
83.04966	3.5
83.08631	5.1
85.06522	2.2
91.05484	12.4
93.07048	15.5
94.07343	1.3
95.04958	7.8
95.08605	12.8
96.05331	1.3
97.02926	1.4
97.06522	3.8
97.10130	1.2
98.21520	1.1
98.98466	100.0
99.04455	1.5
105.07029	13.6
106.02853	1.0
106.07361	2.2
107.04943	1.8
107.08588	15.2
109.06524	2.6
109.10159	24.5
111.08115	1.2
117.07013	4.0
119.08585	8.7
120.08921	1.6
121.06499	2.4
121.10174	5.0
122.68786	1.0
123.08061	4.2
123.11703	4.3
125.09647	1.5
131.08574	3.9
132.08920	1.5
133.06477	1.1
133.09137	1.3
133.10133	26.3
134.10533	1.4
135.08022	1.1
135.11670	2.2
137.09619	4.9
143.08514	1.8
145.10123	3.0
146.10466	1.5
147.04436	1.6
147.11685	2.6
149.09622	1.9
151.11179	19.4
157.10175	2.3
159.11726	3.3
160.12050	2.6
161.09604	1.8
163.11195	3.6
163.14790	1.1
165.09093	2.3
167.10713	1.0
169.10126	1.2
169.12238	6.5
171.11459	1.1
172.94327	5.1
173.13237	2.3
174.99239	8.8
175.99478	1.3
176.98956	3.6
185.13297	1.3
188.15091	1.5
190.46747	1.2
190.95329	4.6
196.12366	1.1
198.13576	1.1
208.96498	1.1
214.95406	1.2
215.12776	2.9
229.07576	1.6
229.19557	1.7
232.96413	6.7
247.08556	1.1
247.20569	2.8
250.97530	3.0
252.99544	1.6
255.98009	1.5
257.19016	1.8
265.21716	1.4
275.20087	15.1
293.21063	13.6
310.22330	1.0
310.31085	2.7
328.08246	1.1
328.23468	2.1
328.28387	1.2
328.32071	1.4
328.35703	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05498	4.0
58.90406	0.9
62.85954	0.7
67.05505	7.5
69.07065	3.7
69.07393	0.9
69.24368	2.4
69.24792	4.5
72.26180	0.7
73.09893	0.7
75.57980	0.8
79.05504	7.0
81.07053	13.4
83.08604	2.0
85.06508	0.8
91.05481	5.5
93.07040	17.6
95.08607	18.3
98.98465	23.1
99.04494	0.7
101.06033	0.8
103.51199	0.8
105.07024	13.9
107.08599	20.9
109.06519	0.8
109.10152	11.9
111.11649	0.7
117.06994	3.0
119.08577	15.2
121.06473	1.1
121.10142	14.6
123.11686	2.4
131.08562	7.2
133.10135	10.8
135.08035	1.4
135.11693	6.4
143.08551	2.6
145.10109	8.4
147.08060	1.0
147.11691	7.0
149.09592	1.6
149.13278	4.1
153.09134	1.8
157.10138	2.1
159.08002	1.5
159.11694	10.4
161.09644	2.3
161.13257	9.3
163.11269	0.9
163.14803	2.1
165.09052	1.2
167.10667	1.4
171.11684	2.5
173.09622	1.2
173.13287	6.5
174.99260	2.2
175.14792	2.3
176.98918	1.5
177.09029	0.9
177.16306	0.8
179.10611	1.2
181.12259	2.4
185.13243	2.2
187.11269	1.1
187.14824	3.4
189.12730	0.9
191.10690	0.9
193.12318	0.9
195.13756	1.5
197.13274	1.1
199.14812	2.6
201.16379	4.0
203.14299	0.8
205.12306	1.7
207.13795	2.1
207.94022	0.8
211.14799	1.0
213.16344	1.7
215.14432	1.2
215.17976	13.8
217.15834	0.8
219.13814	3.0
221.15343	2.6
227.17900	1.1
233.15375	2.5
235.16982	1.5
237.16376	1.3
245.15190	0.9
247.16914	2.2
259.16898	2.1
269.18982	1.0
269.22647	1.3
273.18549	4.4
293.22644	2.2
311.23688	4.1
311.31393	0.8
329.20822	100.0
329.24728	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56047	0.6
53.03936	0.8
55.01863	0.7
55.05519	3.0
56.96558	1.3
57.03424	0.9
57.07070	1.3
58.17501	0.6
60.80921	0.5
63.92069	0.7
66.83564	0.5
67.05512	8.9
69.03418	1.2
69.07069	4.3
69.63601	2.5
69.64007	1.0
71.04999	4.9
72.13096	0.5
79.05495	7.3
81.03408	1.6
81.07059	11.3
81.71671	0.5
83.04968	1.3
83.08600	1.9
85.06560	0.8
91.05483	8.6
93.07049	8.6
95.04968	2.1
95.08617	7.7
97.06530	1.9
98.20794	1.2
98.98470	100.0
99.08085	0.8
105.07030	7.1
107.04968	1.3
107.08597	4.7
109.06535	5.6
109.10168	2.6
111.08086	1.4
113.05986	0.7
116.98669	0.6
116.99516	2.0
117.07018	2.5
119.08587	6.6
121.06503	1.2
121.10173	3.4
123.07314	0.5
123.08050	3.1
123.11720	0.7
125.09621	1.0
127.07551	0.7
129.07033	1.0
130.93288	1.1
131.08566	4.5
133.10138	4.5
135.08093	1.4
135.11700	1.1
137.09615	0.8
140.01093	1.4
141.06961	0.6
143.08578	1.4
145.10132	4.1
147.08115	0.7
147.11710	5.9
149.09634	0.8
155.08598	1.0
157.10077	0.7
159.11668	2.4
161.13261	3.6
163.11180	1.3
165.12767	0.8
171.11713	2.8
172.94388	5.6
173.13197	0.9
174.99225	11.3
175.99593	1.4
176.98875	3.7
179.14377	0.8
183.11795	0.7
185.13268	0.8
187.14850	1.4
189.12781	2.4
190.95387	6.2
205.15811	1.2
207.13853	2.4
208.96521	1.4
213.97058	0.7
214.95425	1.7
229.07512	2.3
232.96431	8.4
233.15428	1.5
247.08707	0.9
250.97534	4.2
251.00063	1.5
251.16508	0.7
252.09033	0.8
252.99724	1.6
255.98091	1.6
262.93930	1.2
265.17960	1.0
275.20078	3.9
280.95132	0.8
283.08539	1.1
293.21075	1.2
311.18552	2.4
328.23621	1.0
328.32175	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56047	0.6
53.03936	0.8
55.01863	0.7
55.05519	3.0
56.96558	1.3
57.03424	0.9
57.07070	1.3
58.17501	0.6
60.80921	0.5
63.92069	0.7
66.83564	0.5
67.05512	8.9
69.03418	1.2
69.07069	4.3
69.63601	2.5
69.64007	1.0
71.04999	4.9
72.13096	0.5
79.05495	7.3
81.03408	1.6
81.07059	11.3
81.71671	0.5
83.04968	1.3
83.08600	1.9
85.06560	0.8
91.05483	8.6
93.07049	8.6
95.04968	2.1
95.08617	7.7
97.06530	1.9
98.20794	1.2
98.98470	100.0
99.08085	0.8
105.07030	7.1
107.04968	1.3
107.08597	4.7
109.06535	5.6
109.10168	2.6
111.08086	1.4
113.05986	0.7
116.98669	0.6
116.99516	2.0
117.07018	2.5
119.08587	6.6
121.06503	1.2
121.10173	3.4
123.07314	0.5
123.08050	3.1
123.11720	0.7
125.09621	1.0
127.07551	0.7
129.07033	1.0
130.93288	1.1
131.08566	4.5
133.10138	4.5
135.08093	1.4
135.11700	1.1
137.09615	0.8
140.01093	1.4
141.06961	0.6
143.08578	1.4
145.10132	4.1
147.08115	0.7
147.11710	5.9
149.09634	0.8
155.08598	1.0
157.10077	0.7
159.11668	2.4
161.13261	3.6
163.11180	1.3
165.12767	0.8
171.11713	2.8
172.94388	5.6
173.13197	0.9
174.99225	11.3
175.99593	1.4
176.98875	3.7
179.14377	0.8
183.11795	0.7
185.13268	0.8
187.14850	1.4
189.12781	2.4
190.95387	6.2
205.15811	1.2
207.13853	2.4
208.96521	1.4
213.97058	0.7
214.95425	1.7
229.07512	2.3
232.96431	8.4
233.15428	1.5
247.08707	0.9
250.97534	4.2
251.00063	1.5
251.16508	0.7
252.09033	0.8
252.99724	1.6
255.98091	1.6
262.93930	1.2
265.17960	1.0
275.20078	3.9
280.95132	0.8
283.08539	1.1
293.21075	1.2
311.18552	2.4
328.23621	1.0
328.32175	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01874	5.9
55.05514	53.9
56.17812	1.0
59.05004	1.6
67.05178	1.5
67.05509	18.0
69.03431	6.9
69.07071	30.9
70.05775	4.1
79.05500	30.8
81.03392	1.4
81.07066	23.2
83.04982	5.6
83.08619	39.3
85.06561	1.8
91.05480	14.1
93.07053	12.7
95.04951	1.6
95.08614	10.3
97.06544	3.6
97.10175	80.3
98.98474	63.2
101.09690	1.3
105.07043	15.4
107.04973	3.4
107.08602	88.9
109.06533	1.8
109.10152	4.9
117.07021	3.2
119.08568	6.8
121.06448	1.3
121.10148	4.2
123.08102	1.2
123.11721	1.1
124.11213	1.7
125.09634	70.1
131.08554	4.9
133.10124	11.2
135.08061	5.7
135.11699	4.2
141.44034	1.1
143.10698	4.1
145.10114	7.7
147.11717	7.6
149.09608	8.2
151.11226	1.2
153.09154	4.5
159.11745	4.0
161.13266	3.3
163.11189	2.2
171.10170	13.1
171.11664	2.9
173.13232	2.8
174.99254	7.0
176.98965	1.5
179.14276	2.6
181.12228	4.6
183.11710	1.6
189.11230	97.3
195.13969	1.1
199.13318	1.6
239.17926	3.7
247.20576	2.0
252.99870	1.9
257.19028	10.9
275.20065	100.0
293.21133	11.2
323.28455	1.0
328.23398	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
53.72204	0.6
55.01857	0.8
55.05519	4.5
55.95771	0.5
56.96569	1.1
57.03436	1.3
57.07071	1.3
67.05508	5.7
69.07076	5.1
70.43774	0.5
71.04981	0.6
71.08630	0.5
77.03922	0.6
79.05488	4.2
81.07063	7.1
83.04974	1.1
83.08643	2.8
85.06554	0.7
91.05483	6.3
93.07050	10.5
95.04984	7.2
95.08613	9.0
97.06546	3.8
97.10186	2.8
98.21515	1.3
98.98473	100.0
105.07036	9.6
107.08605	7.5
109.06544	1.6
109.10171	4.4
111.11733	1.4
114.72416	0.5
115.05482	0.5
116.99517	1.5
117.07029	2.4
119.08588	8.2
121.06519	1.0
121.10149	6.5
123.08089	1.3
123.11735	1.3
127.84126	0.5
128.06201	0.9
129.07005	1.3
131.08553	4.4
133.06497	0.6
133.10141	6.8
135.08112	0.9
135.11697	2.3
137.09663	0.6
140.01082	1.0
141.06889	0.6
142.07851	1.1
143.08553	4.1
144.09349	0.8
145.10104	5.9
147.11717	2.8
149.09602	0.7
152.06287	0.7
155.08609	1.1
156.09381	0.6
157.10155	4.0
159.08183	0.9
159.11691	5.0
161.09619	1.6
161.13330	1.8
165.12793	0.5
169.10211	1.7
171.11723	2.3
172.94450	0.5
173.13210	2.7
174.99239	14.5
175.14854	1.6
183.11746	1.4
185.13342	1.5
187.11217	1.2
187.14864	2.4
188.69395	0.6
189.12787	1.8
197.13316	1.6
199.14876	1.4
209.13342	0.7
211.14900	1.2
213.16296	0.8
225.16444	0.9
232.96466	0.8
250.97823	0.7
251.00046	2.9
253.16025	0.7
261.04376	0.7
267.20941	0.7
291.26947	0.9
293.21152	0.6
309.22192	1.5
327.07819	2.4
327.23175	9.4
348.55496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.83228	0.7
55.01872	1.3
56.08360	0.8
56.96567	2.7
57.03442	6.8
57.07079	6.5
59.05003	1.1
61.02923	2.5
65.03963	0.9
67.05514	6.1
69.03428	6.2
70.06569	1.2
71.04987	2.8
71.54436	1.0
72.08158	1.0
73.02914	1.0
74.84111	0.7
79.05482	1.1
81.03436	1.6
84.08144	4.1
85.02908	14.9
85.06551	15.4
85.08482	2.1
87.04454	1.5
88.23737	0.8
89.03929	0.9
91.03970	1.4
91.05487	5.0
91.48951	0.7
94.24815	0.7
95.04980	9.7
97.02898	4.4
98.97604	6.6
98.98472	90.1
103.07587	100.0
105.07055	1.0
107.31522	0.8
109.02886	1.5
110.06064	1.0
110.09692	1.0
110.97565	0.9
113.06014	24.5
116.98615	3.1
116.99516	2.4
119.04971	4.7
121.06511	2.5
127.03938	2.2
129.10243	1.0
131.07039	2.4
133.06422	1.3
134.99669	1.1
135.04462	1.7
136.07486	1.0
145.02856	1.0
145.04967	3.4
147.04433	5.1
148.07524	1.0
149.02402	1.8
149.06036	2.5
149.08105	34.9
158.99646	2.8
161.05981	1.3
163.03947	4.0
164.05821	1.7
166.08597	1.3
166.10750	5.7
174.99222	10.3
175.03929	1.5
175.99608	2.5
176.98981	2.1
177.00735	2.2
177.05519	1.5
180.08691	5.0
184.15213	1.4
189.05469	5.8
190.05896	1.0
191.13062	2.7
196.08142	1.0
207.06490	3.6
219.01921	1.0
219.95607	0.8
223.02757	1.1
237.02946	0.9
242.99146	0.9
252.00624	1.4
252.99924	1.4
284.19812	1.6
310.12863	1.2
328.08658	1.4
328.13327	1.3
329.39948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18014	1.2
50.32268	1.2
53.03941	3.5
55.01881	1.4
55.05515	6.6
57.03429	1.5
57.07064	3.3
57.82582	1.4
67.05509	16.5
69.03425	1.5
69.07077	10.7
79.05499	9.9
81.03422	3.1
81.07064	15.1
83.04989	2.7
83.08625	3.9
85.06506	2.4
88.84383	1.2
91.05488	20.8
93.07053	41.4
94.71572	1.3
95.04973	40.1
95.08619	33.4
97.06535	9.3
98.98476	100.0
102.84520	1.4
105.04471	1.6
105.07034	30.1
107.08599	18.8
108.21288	1.2
109.06527	4.2
109.10169	12.9
111.08041	1.4
115.05467	1.8
116.99518	2.4
117.07035	10.9
119.08591	35.4
121.06545	10.0
121.10166	17.4
123.08060	5.8
123.11729	4.2
128.06241	2.2
129.07001	5.5
130.07787	3.5
131.08562	13.2
133.06532	2.8
133.10146	21.3
135.08066	5.2
135.11659	6.9
137.09659	2.0
141.06979	1.9
142.07787	6.6
143.08553	9.8
144.09305	4.0
145.06416	1.6
145.10133	21.0
147.11684	8.9
149.09613	3.7
149.13251	2.0
155.08562	3.5
156.09390	3.2
157.10118	17.7
157.36809	1.4
157.70206	1.6
158.10883	3.9
159.08197	2.0
159.11705	22.2
161.09601	6.2
161.13306	2.9
169.10123	8.8
171.11670	8.0
172.12466	2.5
173.09633	2.4
173.13271	6.8
174.99260	15.3
175.11140	2.5
175.14828	12.1
181.10089	2.0
183.11687	6.6
184.12511	2.2
185.13249	4.8
187.11174	5.1
187.14862	6.8
189.16309	1.9
192.20854	1.4
194.10970	1.9
195.11702	2.5
197.13217	5.1
199.14835	5.9
201.12892	2.0
201.16302	1.8
209.13246	5.3
211.14857	3.5
213.16232	1.7
215.14442	2.1
217.15915	3.2
221.13281	1.6
223.14783	2.5
229.01920	2.0
229.15852	2.4
235.14815	3.3
239.17894	2.2
251.00011	3.4
253.15770	1.7
253.19556	1.9
261.66403	1.6
291.20978	2.1
309.22122	3.1
327.08002	2.1
327.23285	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.7
55.01842	2.4
55.05506	8.8
57.07099	2.8
60.88472	1.8
67.05510	23.5
69.07074	11.4
79.05498	15.6
81.03390	4.1
81.07059	22.9
83.08616	4.3
83.64282	2.3
91.05483	29.2
93.06493	3.1
93.07054	56.7
95.04385	3.3
95.04974	54.0
95.08611	39.5
97.06524	13.2
98.20777	5.8
98.98471	100.0
103.05463	3.4
103.56367	1.9
103.66974	2.0
105.04474	3.1
105.07041	46.1
107.04977	2.9
107.08598	27.7
109.06510	6.9
109.10157	13.3
115.05399	2.5
117.07036	15.3
119.08585	44.8
121.06528	10.4
121.10148	25.8
123.08064	7.2
123.11678	3.9
128.06233	2.6
129.06989	6.0
130.07777	3.8
131.08569	15.9
131.09430	2.6
133.10141	29.5
135.08041	8.3
135.11696	7.4
137.09679	3.7
142.07773	7.6
143.08554	15.7
144.09331	6.8
145.10144	26.9
147.08057	2.7
147.11734	11.0
149.13289	3.2
152.06242	6.1
153.06931	4.8
155.08630	3.9
156.09354	4.1
157.10144	19.8
158.10936	3.4
159.08070	4.5
159.11700	31.9
161.09616	7.7
161.13217	4.0
163.11113	3.0
167.08488	2.3
168.05736	2.2
168.09296	1.9
169.10167	10.9
170.10973	3.4
171.11722	8.5
173.09709	3.7
173.13242	12.8
174.99245	16.1
175.11263	2.7
175.14799	12.1
181.10080	2.1
182.10950	2.2
183.11710	6.4
185.13284	4.8
187.11188	5.5
187.14844	11.1
189.12836	4.4
193.10075	2.8
195.11720	2.1
196.12373	2.0
197.13228	7.2
199.14862	5.8
201.16515	2.5
203.14369	1.9
207.11601	2.2
209.13304	3.8
211.14896	5.5
213.16403	3.1
215.14305	1.9
225.16463	3.5
228.09396	2.8
229.15784	3.0
233.03625	6.5
235.14804	4.5
249.16147	2.4
251.00018	2.7
251.04784	2.8
253.15820	4.4
291.20987	2.6
309.22183	6.2
327.07864	18.9
327.23190	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	327.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.1
57.03443	6.2
61.02922	3.2
61.13705	1.4
65.03932	1.5
67.05483	1.2
69.03426	4.5
70.02956	8.6
70.03275	1.7
70.10679	5.6
71.01362	2.6
71.04986	1.2
71.72380	1.5
72.08138	5.3
73.02911	3.1
79.05502	2.3
82.99848	3.1
84.07651	1.7
84.08150	31.0
85.02908	8.8
91.05487	19.3
92.05833	1.4
97.02873	4.1
98.97585	4.8
98.98476	17.4
101.00891	24.9
101.10760	2.5
103.00653	2.1
112.07595	1.6
113.00884	16.9
113.03507	9.3
115.02433	1.9
115.03923	2.0
116.98596	1.8
118.04175	1.8
119.01927	24.6
119.04945	20.1
120.05280	2.5
121.01659	2.1
129.03331	3.4
129.10237	8.3
131.01921	22.5
133.03424	1.6
133.04962	2.6
133.06488	4.2
137.02930	2.0
138.12759	1.9
139.02472	2.7
143.01888	11.5
145.01634	1.3
145.03506	2.0
145.04877	1.3
147.04413	21.6
148.04723	2.9
149.02951	2.0
153.01447	9.5
155.01907	14.1
157.03476	11.0
161.02969	16.9
161.05983	5.4
165.05446	2.6
167.01894	5.4
170.03014	1.8
171.02522	55.5
173.02975	18.1
173.04326	1.7
174.97755	1.8
174.99078	2.4
175.03865	6.1
177.05479	1.6
178.53012	1.3
179.06987	2.4
181.03447	2.7
182.03017	2.6
183.14943	10.5
184.04558	1.3
185.02939	14.7
185.04378	1.3
188.99097	2.1
189.03587	83.8
189.05449	19.4
190.05768	2.0
195.02515	12.5
200.17569	1.6
203.03873	2.4
205.05550	3.4
207.02553	11.2
207.06654	6.0
209.04030	1.7
210.16025	2.6
213.03587	92.7
214.03888	2.5
215.00279	1.4
215.04070	5.1
216.98688	1.3
219.02007	1.6
225.03577	34.2
225.06039	2.1
226.03717	1.3
227.03152	1.4
227.04962	6.2
231.04651	35.3
233.05087	22.0
237.03516	9.2
239.05234	1.5
243.04657	7.8
249.03549	3.0
255.04684	18.1
256.04831	2.1
260.99844	1.4
267.04691	7.2
267.07486	2.6
284.99899	3.3
285.05740	4.1
303.01068	3.6
303.06668	3.1
309.04858	1.5
309.22769	4.7
327.06750	100.0
327.23993	7.6
328.06857	3.9
345.02103	2.0
345.07977	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05078	0.7
53.03949	2.3
55.01873	2.7
55.05516	6.3
57.03430	5.7
59.05000	1.9
61.02934	10.0
67.05514	1.1
69.03430	17.0
69.07063	1.4
69.35251	6.3
71.04992	2.9
72.08173	0.9
73.02934	4.0
81.03426	6.7
83.08624	26.1
84.66638	0.7
84.96050	1.1
85.02910	100.0
86.09707	3.4
87.04466	3.1
91.03957	7.3
91.05492	2.9
93.07050	0.7
95.04967	0.8
97.02897	25.1
97.40473	0.8
97.83887	0.7
98.20760	1.4
98.98473	49.4
99.04473	4.2
101.09661	19.4
101.10270	1.4
107.04976	0.9
109.02886	8.1
118.03779	1.2
119.04950	1.2
119.10726	2.2
122.71383	0.8
127.03918	24.8
127.04813	1.6
135.04448	1.4
136.04793	1.5
136.07578	13.9
143.00177	0.8
145.04968	45.8
146.03188	1.3
147.04427	2.3
147.10178	6.0
163.03949	9.2
163.06032	12.4
164.04250	11.8
164.07069	15.7
174.99240	7.8
175.03979	0.9
180.08752	1.4
181.13414	1.9
182.08165	2.2
189.05545	2.5
251.00076	1.5
326.20099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.7
55.05506	32.3
56.81494	3.9
56.96550	7.4
57.03443	25.3
57.07062	4.7
58.77641	3.5
67.05502	59.6
69.03414	13.3
69.07069	50.2
69.99084	15.5
71.04999	27.7
73.06515	4.0
76.61119	3.6
79.05496	56.7
80.37320	3.3
81.03382	7.8
81.07056	79.6
83.04963	12.4
83.08607	19.7
85.06506	8.6
90.74678	4.2
91.05470	33.3
93.07041	59.3
95.04950	10.1
95.08607	54.1
97.06544	23.7
97.10175	23.3
98.97551	6.4
99.04323	3.6
99.08096	7.9
105.07032	35.0
107.04952	5.4
107.08596	47.4
109.06477	11.4
109.10164	29.0
111.08101	23.3
117.07008	10.7
119.08591	31.3
121.06535	5.5
121.10135	51.7
123.08079	6.9
123.11665	8.6
125.09624	16.9
129.07019	6.4
131.08560	24.0
133.10141	28.0
135.08017	6.9
135.11670	10.7
137.09557	7.9
139.11180	24.9
143.08565	5.9
145.10120	18.7
147.11635	16.9
149.09619	13.7
149.13313	5.7
151.11110	4.7
157.10164	8.7
159.11646	13.7
161.13232	4.9
163.11212	6.2
167.88866	3.5
171.11726	6.0
173.13268	8.8
175.11189	4.8
175.14870	6.4
183.11829	4.2
185.13286	7.1
187.11119	4.7
187.14763	8.1
189.12744	4.5
191.14247	4.6
201.16415	5.4
203.12772	13.3
203.14406	7.5
207.13803	3.8
217.14285	9.1
219.17386	5.4
221.15349	5.3
235.16985	6.7
239.17963	7.4
257.19000	16.7
263.20255	7.4
275.20084	100.0
289.21628	12.0
293.21118	25.2
307.22647	12.5
325.17877	6.4
325.21515	4.6
325.26474	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	325.2739
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.76348	0.9
53.03943	2.2
55.01865	1.1
55.05274	1.4
55.05516	22.3
56.96549	2.9
57.06830	1.3
57.07077	16.9
57.77572	1.0
59.04976	1.8
67.05511	28.7
69.07072	49.8
69.96452	5.0
71.04981	2.9
71.08643	8.6
79.05088	1.1
79.05502	15.1
81.07062	100.0
83.04995	1.2
83.08154	2.0
83.08620	25.5
83.09099	0.9
85.06537	3.8
85.10170	2.9
87.72701	1.0
91.05460	5.1
93.07052	31.8
93.80869	1.0
94.37512	0.9
95.04951	4.8
95.08612	95.9
95.83829	1.0
97.06541	8.3
97.10169	19.8
98.20739	1.4
99.08083	2.7
105.07042	5.4
107.08604	32.0
109.06606	1.3
109.10163	49.3
111.08109	6.6
111.11709	9.1
115.11254	1.0
118.06522	1.2
119.08556	4.8
121.10152	22.8
123.10830	1.8
123.11712	26.8
125.09610	4.1
125.13274	3.5
133.10103	4.6
135.07996	1.0
135.11694	15.5
137.13251	11.5
139.11156	3.9
141.12766	1.1
145.10133	1.5
147.11662	4.4
149.13268	25.3
151.11212	2.1
151.14822	9.9
153.12756	1.4
157.10054	1.2
159.11668	2.0
161.13280	3.4
163.14847	10.1
165.12762	1.8
165.16386	8.0
165.93597	1.1
167.14261	1.5
175.14827	3.1
177.16412	4.9
179.14345	1.5
179.17957	1.7
185.13274	1.2
191.17923	5.0
193.15904	3.7
203.18011	1.4
203.93034	1.1
205.19582	2.5
221.18935	1.1
223.14732	1.3
261.25787	11.5
271.24240	2.2
277.25375	1.9
279.26837	11.6
289.25110	6.0
295.26163	1.5
307.26334	28.7
325.14127	1.2
325.21133	3.9
325.27478	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	325.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
55.01878	32.1
55.05259	3.9
55.05511	29.8
57.03438	29.5
57.07077	4.3
65.03926	5.6
67.05182	5.7
67.05506	70.4
67.57331	3.2
69.03442	3.4
69.07084	25.9
70.71314	5.0
70.71629	7.2
71.04984	4.5
79.05501	66.4
80.06242	3.8
81.03418	16.3
81.07059	69.8
83.04996	27.1
83.08607	4.8
85.38731	3.5
88.57051	3.4
91.05486	71.9
93.07043	54.1
95.04972	65.1
95.08610	38.3
96.05774	4.2
97.02878	9.3
97.06516	8.9
97.10158	7.9
98.07306	8.0
103.05436	5.3
105.07034	48.8
105.20422	4.2
107.04963	88.3
107.08613	27.1
108.05782	5.3
109.06523	42.7
109.10168	21.6
111.04447	15.7
112.05198	11.8
113.05980	6.1
115.05437	5.9
117.07031	33.5
119.04917	4.5
119.08582	31.9
120.05783	4.6
121.06528	23.5
121.10139	16.0
122.07316	24.1
123.04460	8.4
123.08060	13.9
125.06017	4.3
125.09607	4.7
128.06226	7.6
129.07018	17.2
130.07663	3.3
131.08571	34.6
132.65477	3.8
133.06508	20.1
133.10117	14.7
135.08090	22.1
135.11668	13.2
137.06085	3.9
137.09608	15.4
141.06972	7.4
143.08565	15.1
143.97130	3.9
145.06508	22.3
145.10130	17.7
147.08052	41.7
147.11713	4.8
149.09586	5.3
151.07552	7.0
155.08542	4.8
159.08029	4.2
159.11699	12.8
161.09610	28.4
161.13200	5.6
162.10367	5.4
163.11166	15.2
165.09090	11.2
171.11700	12.0
173.09592	4.3
173.13258	14.3
175.11237	6.5
177.12747	4.6
187.11082	6.5
187.14780	10.2
189.12794	4.3
197.13295	6.0
205.15903	15.6
215.14279	12.1
233.15363	100.0
251.16446	27.9
273.18613	9.9
290.18793	24.1
291.19379	5.6
296.45679	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01854	1.5
55.05510	7.4
57.03436	0.5
57.07059	0.4
65.03939	0.5
67.05502	5.7
69.03430	0.8
69.06731	0.5
69.07066	5.3
71.04977	0.4
71.07352	0.7
71.08631	10.5
79.05485	4.1
81.03397	0.6
81.07053	5.4
81.70058	0.4
83.04997	0.6
83.08614	4.0
91.05473	2.2
93.07050	3.4
95.04986	2.2
95.08594	2.5
97.06482	0.6
97.10171	7.2
99.08092	6.8
101.30534	0.5
105.07007	1.0
107.04948	1.8
107.08584	3.9
108.05743	0.8
109.06525	1.4
109.10134	1.2
117.07011	0.9
119.08563	0.7
121.06496	4.3
121.10127	0.9
123.08081	0.6
125.09618	4.4
131.08578	0.7
133.10127	0.7
135.08031	1.2
135.11684	0.5
139.11266	0.5
147.11746	0.8
149.09488	0.5
149.13260	0.5
151.11176	0.9
153.09120	0.6
159.11691	0.6
163.11198	0.5
164.12010	0.9
165.12762	0.8
167.10789	0.6
172.95546	0.4
177.12750	1.9
195.13831	0.7
203.12801	2.2
204.20992	0.4
237.14886	0.5
257.19040	0.9
275.20172	3.6
293.21100	100.0
294.21393	0.9
307.22687	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	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01872	2.2
57.03445	2.5
58.28180	0.2
59.04980	0.5
61.02916	1.4
62.61209	0.3
62.72760	0.3
69.03432	15.6
69.70492	1.4
70.06593	0.6
71.01338	1.3
71.04989	4.5
73.02889	1.0
75.04443	0.3
76.03195	0.3
79.05522	0.7
81.03421	16.9
81.07053	0.3
85.02887	1.5
88.66961	0.3
91.05486	2.1
97.02879	0.6
98.20757	0.3
98.97597	0.4
99.04456	6.2
109.02926	0.6
116.04962	0.6
117.05489	2.0
118.06544	4.2
119.04938	0.4
121.08809	0.3
127.03896	1.3
132.06877	0.3
133.02850	0.8
135.04442	1.3
135.08009	0.4
145.02841	0.6
145.05176	0.4
145.06503	0.4
145.07608	7.8
146.39211	0.3
147.08023	0.4
147.09171	7.3
148.06271	0.4
149.02324	3.3
159.04382	0.3
162.07845	0.9
163.03905	19.4
163.07582	0.5
163.08673	1.9
172.06342	0.3
173.07106	11.4
175.08673	6.3
179.45683	0.3
181.04955	0.4
190.07309	0.5
191.08159	100.0
203.08315	0.4
205.09801	0.6
213.10252	0.4
215.03529	0.3
215.08382	0.3
215.11905	0.5
233.09222	1.3
243.11313	0.4
245.09154	0.3
271.10751	0.7
289.11813	1.5
307.12891	37.0
325.13956	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38757	0.4
53.03931	0.4
55.05505	0.6
57.07072	0.6
67.05497	0.7
69.03410	0.8
69.07053	0.8
71.04988	0.4
73.02915	0.4
79.05489	1.0
81.03404	1.0
81.07042	1.0
83.34766	0.3
85.02894	1.1
89.03914	0.5
91.05473	1.1
91.52307	0.4
93.07029	0.6
95.04993	0.6
95.08562	1.0
97.02865	0.8
98.97599	0.5
99.04452	0.6
103.05456	0.4
105.06992	0.9
107.08591	2.5
109.10162	1.0
117.03368	0.6
121.10125	0.5
127.03954	0.7
133.02859	0.8
133.10126	0.5
135.04398	1.8
135.08063	1.2
135.11652	0.4
137.05981	0.7
145.02850	0.8
145.10089	0.5
149.02350	1.5
163.03912	15.7
163.07558	2.7
184.57881	0.4
192.63867	0.3
215.10735	0.3
255.95695	0.4
265.08633	0.4
269.12158	0.5
293.08133	0.4
307.08209	0.6
308.14764	0.4
325.16217	100.0
326.16672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03936	0.7
53.06666	0.3
55.01871	0.3
56.96553	0.7
57.03421	0.6
66.17619	0.3
66.17987	0.3
67.05498	0.4
69.03426	2.2
69.07057	0.3
70.06561	0.9
71.54675	0.4
72.08115	0.4
73.02925	0.6
79.05489	0.6
81.03423	2.8
83.04984	0.6
84.04489	0.4
84.08121	0.5
85.02908	4.1
89.03915	1.5
91.05486	4.0
93.03392	0.6
93.07071	0.4
95.04999	0.6
97.02880	1.3
98.97587	1.3
99.04464	0.6
105.07025	0.4
107.04958	7.6
109.02886	1.1
115.03876	0.3
116.98673	0.4
117.03381	1.9
119.04939	6.3
120.08064	0.4
121.02921	1.5
121.10162	0.3
123.04445	0.5
124.07498	0.3
126.05422	0.5
127.03918	0.9
131.04921	0.5
133.06380	0.3
135.04420	4.3
136.07581	0.4
137.06018	0.5
145.02856	3.0
145.04956	0.8
147.04404	0.9
149.02330	1.4
158.99678	0.4
163.03906	100.0
164.04216	0.4
165.05411	0.4
167.03427	0.3
173.06046	0.4
175.04034	0.4
179.03400	0.4
180.03807	0.6
181.04948	2.7
189.05476	0.9
204.08588	0.3
219.10094	0.3
230.22205	0.3
235.09644	0.4
293.09052	0.4
307.08008	2.3
325.09277	4.6
325.12708	0.7
326.12122	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03935	1.4
55.01870	0.7
57.03428	1.2
61.02924	1.6
69.03430	10.9
69.69246	2.3
70.06582	0.7
71.01336	0.4
71.04987	1.4
73.02922	0.6
79.05484	1.0
81.03419	4.7
81.07056	0.7
83.04989	0.6
84.08127	0.5
85.02909	4.2
89.03909	1.2
91.05475	2.4
93.46030	0.3
95.04974	1.1
97.02908	2.3
98.97585	0.5
99.04466	1.9
103.05492	0.7
105.03428	0.5
105.04490	0.9
105.07034	0.6
107.04962	0.7
107.08611	0.5
109.02885	1.2
110.06090	0.4
112.42245	0.4
114.51295	0.3
117.03376	1.1
117.06992	0.6
118.06535	0.9
119.04940	0.4
120.08076	0.5
127.03916	4.1
131.04893	1.1
133.02866	4.6
135.04424	7.1
137.05977	0.7
145.02840	2.7
145.04950	1.3
145.06549	0.6
145.07568	0.8
147.09171	1.8
149.02348	17.6
159.04445	1.3
161.09677	0.4
163.03908	100.0
164.04141	0.5
167.03375	0.3
173.07147	2.8
175.08650	1.0
181.04944	3.6
191.08168	20.1
201.05414	0.6
205.12468	0.4
215.03403	1.5
218.25591	0.3
233.09351	0.5
249.35464	0.4
307.07788	0.7
307.12924	6.3
325.03632	0.5
325.09656	1.1
325.13922	6.7
325.17630	0.5
325.91827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
56.96558	1.7
57.09850	0.6
67.05503	1.3
69.03410	0.8
69.07076	4.0
69.41339	3.7
69.41749	2.0
79.05497	3.7
81.05802	2.1
81.07058	3.2
84.96029	1.2
91.05486	3.6
93.07029	3.1
95.04962	2.0
95.08654	0.8
96.08149	6.5
97.02902	1.1
97.06563	1.0
98.20819	1.7
98.97587	1.7
105.07052	1.9
106.06539	1.6
109.02869	1.2
109.06520	0.9
109.10169	1.4
119.04921	1.2
119.08624	1.0
121.10132	2.9
124.07603	27.4
124.08508	1.4
135.04459	0.9
136.07591	46.2
137.05878	0.7
138.09145	1.5
140.01096	0.7
140.07098	1.2
143.00195	1.2
143.14285	1.8
147.04416	6.3
148.04747	2.2
161.05975	0.9
163.03900	0.9
163.26080	0.9
164.07080	100.0
168.78667	0.7
177.05392	1.1
179.07124	1.1
182.08144	76.6
189.05470	1.2
194.49068	0.7
213.24744	0.8
215.06993	0.9
253.03793	0.9
272.05380	0.9
291.10181	1.0
323.05426	0.8
323.09186	1.3
323.12668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.144
Annotation	histidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
53.03934	2.2
55.01855	1.3
55.05508	3.3
56.96572	4.8
57.03418	1.2
58.94949	0.7
59.05013	5.3
65.03938	1.1
66.58595	0.8
67.05499	2.2
67.21391	0.8
68.05032	0.7
69.03407	1.4
69.07064	1.3
70.06594	1.3
70.49104	2.2
70.98096	1.3
72.08157	4.0
79.05494	3.2
81.03422	19.6
81.07054	2.6
84.08131	1.7
84.95995	1.0
86.09685	0.8
89.03910	6.9
91.05472	6.4
93.07043	1.8
93.70377	0.7
95.04960	5.0
95.08608	0.9
96.04494	1.1
97.02918	4.0
98.97590	10.8
103.05508	1.0
105.07022	3.3
106.06580	1.3
107.04953	1.8
107.08577	0.9
109.10156	1.6
110.97587	0.9
111.08073	0.9
114.05529	1.9
115.05414	0.9
116.98624	3.3
117.03392	5.1
117.05769	0.8
118.06557	6.8
119.04956	4.7
121.06466	0.9
121.52555	0.8
123.04435	3.7
124.07602	1.2
130.06537	4.8
131.04942	7.0
131.08575	0.7
132.04471	1.6
133.05247	2.3
133.06544	1.0
134.06017	6.4
135.04401	8.3
136.07581	3.6
138.05495	4.6
145.02837	5.8
146.06009	12.1
147.04408	3.4
147.06810	1.6
148.07622	1.5
151.03915	11.3
152.07077	2.5
157.08774	0.7
158.99678	2.6
159.04449	0.8
161.05975	2.0
162.05519	2.2
163.03906	36.4
164.04308	4.2
164.07065	18.8
165.05550	3.8
167.07010	8.3
168.07399	0.8
174.05499	8.5
175.03862	3.7
177.00729	2.3
178.08614	6.4
179.07066	2.3
189.05484	5.8
191.00125	0.7
192.06555	9.1
193.01790	0.8
194.08157	2.4
200.10677	2.5
201.00728	1.0
202.10681	0.9
204.06619	1.4
206.08121	4.9
207.06581	1.7
209.01157	2.2
213.04192	1.1
218.99657	2.3
219.01813	2.1
224.09184	22.9
228.10168	4.2
234.11371	0.9
237.00710	5.2
237.02863	1.6
243.79712	0.8
244.99716	1.0
246.11194	4.6
251.02162	1.4
255.01778	4.3
264.12347	2.4
267.01660	0.9
269.03473	1.2
273.02832	2.9
274.10699	5.4
278.13947	3.7
279.01755	1.1
281.03333	1.5
292.11752	12.3
293.03311	1.7
297.02786	2.1
306.13376	15.6
311.04434	3.2
315.03860	1.3
323.04422	0.9
324.10986	5.2
324.14420	100.0
325.16098	2.2
329.05576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
55.05506	1.4
56.91078	0.9
56.96561	4.4
57.07058	0.9
67.05505	4.9
69.03416	1.3
69.07050	2.4
71.04979	1.3
71.06927	2.1
71.75980	1.0
74.25012	1.1
77.63557	0.9
79.05500	5.9
81.03432	1.3
81.07060	3.6
83.04970	1.6
85.02907	2.1
91.05478	5.7
93.07062	3.6
95.04957	3.2
95.08588	4.6
97.02887	1.8
97.06538	3.7
98.97602	1.6
103.05463	10.4
105.07031	9.1
107.04931	2.6
107.08585	3.2
109.02869	1.0
109.06487	1.2
109.10158	2.4
115.05479	3.2
117.06998	1.5
119.04967	1.3
119.08599	2.0
121.06487	4.9
121.10162	1.7
123.08080	1.3
124.70998	1.0
124.99121	1.4
128.06165	1.3
129.06937	2.0
131.04926	25.0
131.08589	1.7
132.05632	1.0
133.06487	36.3
133.10088	1.3
135.04413	71.4
137.05980	3.0
143.00224	1.4
143.04929	1.3
145.02820	1.5
145.06480	3.7
147.04427	1.4
149.05974	12.2
157.06476	1.4
159.04401	3.7
160.05193	1.4
161.04631	1.9
161.05978	34.9
163.03860	2.6
163.07559	1.2
171.08203	1.0
173.05972	4.2
177.05502	4.4
185.01169	1.2
185.05983	2.6
185.13167	1.2
186.06783	2.0
187.07565	3.3
201.09132	2.0
207.07999	1.3
215.06828	1.1
220.08801	1.2
220.80890	1.1
233.07790	1.0
235.11191	2.4
245.09546	1.3
249.02655	1.2
259.09784	2.3
261.77795	1.0
263.07025	1.2
263.10760	3.3
276.43076	1.1
291.10193	3.0
293.08636	1.8
293.11630	9.4
305.24893	1.6
308.10373	7.2
323.14529	100.0
325.29529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
56.96551	0.9
57.03447	0.5
57.07081	0.4
63.84513	0.3
65.03938	0.4
67.05513	2.0
69.03426	0.9
69.07075	2.4
71.05004	0.6
71.28511	0.5
79.05502	1.4
81.03430	0.4
81.07072	3.2
83.04984	1.1
83.08633	0.7
85.02918	0.5
91.05482	1.5
91.75405	0.4
93.07034	2.8
95.04963	1.0
95.08607	2.9
97.02905	0.6
97.06528	1.0
97.10151	0.4
97.54804	0.4
98.97572	1.1
105.07036	1.5
107.08591	1.7
109.06552	0.8
109.10146	1.8
111.04446	0.4
111.11707	0.6
114.35975	0.4
117.03325	0.6
119.08596	1.3
121.10133	2.4
123.11753	0.5
125.09650	0.7
131.08597	0.4
133.06454	0.7
133.10150	0.6
135.04448	0.5
135.11652	0.5
137.05972	2.7
139.11215	0.6
145.02855	1.2
147.11710	0.8
149.09697	0.5
157.10172	0.4
161.05992	1.6
167.10681	0.7
177.05469	3.3
189.05594	0.5
199.07549	1.1
202.07727	0.8
203.08655	0.9
215.06602	0.4
219.08150	0.6
231.08122	1.7
248.08313	0.4
249.05354	0.4
259.07553	0.8
260.08514	0.6
263.10687	1.1
265.30533	0.4
277.08627	0.6
291.10217	2.2
293.08234	0.6
302.09100	0.5
305.24823	0.7
323.14694	100.0
323.25815	3.8
344.54718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1278
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
53.03941	1.1
55.01870	1.3
55.05510	1.3
57.03426	1.1
63.37121	0.5
65.03941	0.6
67.05505	2.8
67.67840	0.7
69.03440	0.7
69.83441	0.6
71.01347	0.8
71.04981	2.5
75.04488	0.6
77.03924	0.8
79.05490	5.2
80.16054	0.5
81.03420	0.7
81.07068	2.0
83.04985	2.2
85.02913	9.7
87.04430	0.7
91.05484	5.5
93.07036	2.0
95.01324	1.6
95.04955	1.9
95.08605	1.6
97.02859	0.7
97.06582	0.6
98.20731	1.3
102.96821	0.7
103.05461	15.0
105.03367	1.3
105.07037	11.7
107.04958	3.1
107.08641	0.7
109.06512	0.6
109.10123	1.6
111.04441	1.4
113.00022	1.7
115.05463	2.1
117.03403	1.3
117.07027	2.8
119.04948	2.1
119.08601	1.0
121.06496	5.5
121.10143	1.0
128.06252	1.5
129.05479	1.7
129.07018	1.8
130.04141	0.6
131.04933	32.5
131.08604	0.7
132.05664	0.6
133.06499	48.9
135.04416	100.0
137.05972	1.4
141.01823	3.2
141.07062	0.6
143.04951	2.6
143.08560	0.8
144.05762	0.9
145.02826	3.2
145.06482	6.7
147.06529	0.8
149.05984	14.6
157.06496	2.9
157.10103	0.6
159.03273	0.6
159.04384	3.7
159.11749	0.8
160.05232	2.8
161.05981	40.1
163.07536	1.9
169.02599	1.7
169.10097	0.7
171.04401	1.0
171.08041	1.5
173.05986	5.2
175.07573	1.2
177.05467	7.4
185.05952	3.6
186.06758	4.1
186.50446	0.6
187.07533	5.6
193.86919	0.6
199.07556	0.7
200.15921	0.6
201.09103	1.9
202.07785	1.1
207.08040	1.1
207.11685	0.8
215.08597	0.6
217.10172	1.5
219.08162	0.7
220.08846	1.0
235.11157	2.9
245.09589	1.8
248.08247	1.0
263.10699	4.1
266.60812	0.6
291.09879	0.6
293.11725	14.8
305.11960	0.9
308.10458	8.4
323.12778	62.4
323.18927	1.9
323.27127	1.0
324.13248	0.9
326.11374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01878	0.4
55.05500	1.2
56.96562	1.4
57.07106	0.4
59.04998	0.5
60.93832	0.3
63.02379	0.7
67.05509	0.5
69.07065	0.8
69.27975	4.0
69.44920	0.4
79.05504	1.0
81.03408	0.6
81.07035	2.0
83.04974	2.2
85.02901	0.9
85.06522	0.4
85.72263	0.4
86.09666	0.4
89.03918	6.9
91.05480	1.2
93.07043	1.6
95.04955	0.9
95.08600	1.1
97.02875	0.6
97.06535	1.3
98.97594	0.5
103.05446	0.5
105.07026	1.4
106.04187	0.5
107.04923	0.4
107.08596	1.1
109.10164	1.2
111.04458	1.0
111.68102	0.4
117.03378	21.7
119.08596	0.7
121.06553	0.4
121.10152	1.0
123.11694	0.9
124.99072	0.5
130.20479	0.4
131.04941	1.0
133.06465	1.3
133.10155	0.5
134.03658	1.7
135.04424	3.7
137.05972	1.8
143.00127	0.5
145.02849	56.0
147.04408	0.7
147.11688	0.6
149.05983	7.6
149.09628	0.6
151.07655	0.4
161.05978	1.8
163.03912	1.7
177.05472	100.0
186.05519	1.5
187.07494	0.5
189.05501	0.5
195.06560	0.5
203.08571	0.6
222.11214	0.4
231.08055	0.7
259.09744	0.8
263.10855	0.5
291.10083	1.3
323.05496	0.7
323.12012	1.6
323.14789	1.0
323.67834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98898	1.3
53.03940	1.9
55.05492	4.4
57.03441	8.9
58.04462	1.6
60.95829	1.8
61.02908	2.9
67.05490	5.0
68.99815	1.6
69.03423	6.6
71.01340	4.9
71.04988	18.2
71.56310	1.7
73.02908	3.8
75.04470	9.4
79.05489	3.2
81.03398	3.5
81.07041	4.3
83.04981	12.5
85.02905	100.0
87.04465	1.9
91.05473	2.2
93.07049	2.2
95.01335	13.9
95.04954	4.2
95.08586	3.3
97.02897	5.0
99.00866	2.2
102.87329	1.3
103.03979	2.7
105.07028	3.2
107.08570	1.8
109.02905	3.1
109.10145	2.4
109.98383	1.6
111.04436	8.7
111.08152	1.5
113.02352	4.0
113.05918	2.3
119.08576	2.6
121.06485	1.7
127.03923	1.6
129.05466	17.4
131.04912	3.4
133.06476	6.0
135.04433	9.3
141.01830	42.4
143.08531	2.3
145.10127	3.0
147.06537	9.9
149.06009	2.9
157.10141	5.0
159.02901	7.3
161.05972	4.6
169.02602	2.3
169.10139	1.5
171.06534	2.3
173.13286	1.7
177.05434	3.2
185.13257	8.5
201.03990	3.4
247.61009	1.6
248.08244	1.5
253.19292	1.6
259.08212	2.3
269.06555	2.8
287.07501	3.2
293.11774	2.3
305.08582	5.4
323.12949	8.5
323.23605	2.5
323.27249	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	323.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	5.1
57.03422	8.1
59.05012	2.2
61.72776	1.6
61.73096	1.6
67.05496	3.6
69.03422	6.4
69.07071	3.8
71.01360	4.8
71.04998	14.7
71.56174	2.3
73.02901	6.6
75.04470	8.0
79.05476	4.3
83.04968	12.5
85.02905	100.0
87.04412	2.4
91.05471	2.7
93.07033	4.3
95.01331	16.0
95.04949	2.3
95.08588	4.3
97.02872	6.8
97.06487	2.2
99.00836	2.7
103.03961	2.0
107.04948	2.6
107.08614	1.8
109.02841	2.2
109.10162	2.9
111.04433	9.9
113.02330	2.6
113.05999	2.1
127.03912	2.3
129.05493	16.0
135.04417	2.6
137.05963	5.4
141.01825	32.7
145.10129	2.1
147.06520	11.2
149.06003	3.8
159.02878	7.9
161.05991	3.5
171.06494	2.2
177.05478	4.6
183.02805	2.4
199.07669	3.0
259.08026	3.0
263.10562	2.9
269.06470	2.8
287.07697	3.3
291.10242	2.6
305.08600	7.4
305.11777	2.0
305.17538	1.9
323.09161	3.3
323.12521	8.6
323.18481	3.2
323.27374	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	321.9931
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97129	0.2
71.30994	0.4
76.64815	0.1
98.35522	0.2
98.97587	0.7
101.00906	0.7
116.98666	0.2
119.01931	1.3
122.97810	0.3
123.98611	0.3
130.68010	0.2
137.02876	0.2
140.98856	0.5
141.99625	0.2
158.99881	2.0
177.00957	9.0
182.99797	2.4
184.56566	0.1
185.96611	0.2
185.98524	0.1
190.86536	0.2
196.94572	0.1
201.00931	9.8
202.93503	0.3
203.23206	0.2
219.02014	100.0
220.02213	1.6
220.94547	0.4
221.02431	0.4
224.02544	0.3
236.99301	0.2
238.95563	3.1
242.03601	4.5
256.96631	7.9
257.96750	0.2
261.97247	0.3
262.95715	0.5
274.94971	0.3
274.97644	1.1
276.04929	0.2
279.98196	1.1
280.96552	2.1
297.99222	0.2
298.97687	40.6
299.18710	0.3
299.97833	0.5
303.98184	0.3
307.92819	0.2
308.43253	0.2
314.95813	0.2
316.93436	0.5
316.98834	0.2
317.43561	0.3
318.17026	0.2
319.43701	0.9
319.93863	0.3
321.99286	6.2
328.44342	0.7
328.94260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2742
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
50.35919	0.6
53.03950	0.8
55.05513	4.0
57.07076	1.3
60.04506	0.7
60.77674	0.5
61.93017	0.5
62.06095	100.0
65.03927	1.2
67.05510	14.8
69.07076	4.1
71.04977	0.6
71.41126	0.9
72.89955	0.5
79.05502	10.1
81.07065	15.9
83.08640	2.1
85.10168	0.5
91.05480	4.7
93.07051	10.7
95.04987	0.7
95.08614	9.8
95.88850	0.5
97.06544	0.8
97.10188	1.0
105.07069	2.2
107.08603	7.7
109.10178	5.4
117.07032	0.9
117.40715	0.6
119.08610	2.2
121.10162	4.6
123.11733	2.5
125.09672	0.9
131.08618	2.0
133.10181	1.7
135.11734	3.2
145.10194	1.7
147.11736	1.1
149.13292	2.4
158.11713	0.8
159.11711	1.2
161.13280	1.2
163.14856	1.9
173.13284	0.8
177.16455	1.0
186.14949	0.8
200.16554	0.7
214.18039	0.7
243.21150	2.0
261.22095	3.6
279.23068	0.7
291.19626	2.9
304.26355	2.5
305.21545	1.0
305.24683	2.9
310.29996	0.6
322.27411	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	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85030	1.8
55.94302	1.6
56.96554	3.9
57.03422	2.4
57.42346	1.4
59.87442	1.5
61.02921	4.4
62.20086	1.5
65.40142	1.7
69.03435	10.1
69.07058	1.8
69.46968	3.8
69.47380	7.0
70.06602	2.1
73.02903	3.0
79.05498	2.5
81.03424	5.2
81.07056	2.9
84.96027	2.8
85.02922	17.2
87.04472	4.8
91.05476	6.9
95.04949	4.5
97.02903	9.8
98.97585	7.6
102.96875	1.6
105.07013	2.3
108.08149	1.6
109.02893	4.2
110.97572	2.4
116.98655	1.9
119.04953	4.2
123.05553	2.8
125.09665	2.3
127.03954	3.5
136.07599	6.3
143.10713	2.1
145.02884	1.6
147.04437	7.4
149.05927	2.3
159.46284	1.6
161.02119	34.7
161.05954	2.7
161.07137	5.5
164.07069	2.1
175.03908	2.4
177.05498	4.4
181.11876	1.6
185.04233	62.0
189.05533	10.6
190.05878	2.3
191.03941	2.4
203.05281	16.1
205.05029	3.4
207.06537	5.7
211.05406	2.4
219.01790	2.8
221.01167	2.1
231.08197	2.2
237.02708	2.1
241.13441	1.9
259.14542	2.1
267.01834	1.9
269.12878	4.4
281.03235	2.5
285.06250	3.9
287.14072	2.2
291.10284	2.9
294.06873	2.8
305.11826	2.5
305.14990	7.7
323.07419	100.0
323.12210	6.5
323.16037	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	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98264	2.9
55.00040	3.2
71.39407	5.7
96.04003	3.0
183.97256	3.3
276.20270	3.4
323.07382	100.0
323.11322	5.7
338.45044	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	323.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42793	0.8
56.96558	1.4
57.03434	1.1
61.02905	1.1
65.03943	0.9
69.03427	1.9
69.77460	5.0
72.14837	0.9
73.02916	3.0
79.05511	1.1
81.03439	1.0
81.07064	1.3
82.99819	5.7
85.02914	3.6
91.05494	9.8
97.01405	1.3
97.02923	1.7
98.21452	1.5
98.97596	6.3
101.00891	44.1
103.00658	2.4
103.02477	1.0
105.71547	0.8
109.02967	0.9
113.00909	3.7
115.02449	3.8
116.98651	1.6
117.04069	0.9
118.04147	1.4
119.01932	41.5
119.04961	14.0
120.05273	1.5
121.01698	3.4
122.07166	1.6
125.20310	0.8
127.02457	3.1
127.03926	1.1
129.03372	3.7
131.01900	4.6
133.01758	1.1
133.03476	7.7
133.06502	3.6
134.03600	0.9
137.02922	1.8
139.02382	7.6
143.01912	40.3
143.05702	1.1
144.04900	1.1
145.03499	8.8
147.04375	14.1
147.05331	0.9
148.04793	1.4
149.03035	1.0
151.04526	1.2
155.01888	4.5
157.03481	36.2
158.99635	0.9
160.02957	0.9
161.02980	28.8
161.05917	4.4
163.04594	5.6
165.05518	1.3
169.03531	1.5
169.07237	2.5
171.01393	4.8
173.01450	0.8
173.02979	5.1
175.02841	1.8
175.04570	13.2
180.07735	2.3
181.03482	2.0
181.05550	2.6
187.04575	1.9
189.00848	1.5
189.02513	6.4
189.05469	16.9
190.05887	1.7
191.02341	1.5
191.04053	1.8
197.06615	1.5
199.00937	3.3
201.02510	3.4
203.02219	4.0
203.04070	17.0
205.05580	23.0
207.06569	3.5
208.84415	0.9
215.04047	3.6
217.01991	3.0
219.03487	3.0
221.03195	5.5
223.06641	76.4
231.03604	4.5
233.05122	1.8
235.04840	1.0
241.07686	14.7
246.08289	1.2
249.02675	2.1
251.04233	1.1
259.03018	9.0
263.06424	1.9
277.04227	3.5
277.08176	1.0
277.13074	1.9
291.05768	0.9
299.09680	1.0
300.09860	1.2
301.04248	1.5
301.09769	1.0
305.07220	26.2
305.12491	1.3
319.05157	3.7
320.05194	1.0
323.08301	100.0
323.11386	3.5
324.08743	1.1
346.09979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90997	0.5
57.03412	1.0
58.99861	0.7
61.02920	1.0
66.57156	0.5
67.08906	0.6
68.98298	1.1
69.03433	0.9
70.06394	2.5
70.99849	1.9
73.01416	1.7
73.02916	0.5
82.99835	9.5
85.01395	1.5
85.02901	1.3
86.24667	0.5
89.00904	0.7
91.02462	1.7
92.05061	0.8
94.99841	1.4
97.01398	4.6
97.02899	1.1
98.97589	1.6
99.02950	1.0
101.00888	63.9
103.02460	1.7
105.04015	0.7
109.66813	0.6
113.00874	19.0
113.03489	1.3
115.02437	21.8
117.03989	4.8
119.01928	69.4
120.01953	0.7
123.05071	0.7
125.00876	1.6
125.09540	0.9
126.98818	2.1
127.02444	3.8
129.00348	1.1
129.03091	1.0
129.03978	5.3
131.01917	26.7
133.03476	35.9
135.05031	2.7
137.00903	3.4
137.02057	0.8
137.02954	6.2
139.02390	1.3
141.03958	2.4
143.01903	20.7
144.99837	3.1
145.03482	10.9
147.01343	1.7
147.05060	3.7
149.02968	3.4
151.04538	2.8
153.03973	1.3
155.01898	17.0
156.02692	2.1
157.03470	7.7
159.01396	2.6
159.05038	14.6
159.06245	0.6
161.02982	21.6
163.04503	2.4
167.05597	0.8
168.99834	18.5
169.03580	0.8
171.01389	9.3
171.05038	16.2
172.99358	1.0
173.01408	1.2
173.02965	21.1
173.06615	2.9
175.00858	1.1
175.04536	4.7
177.01018	0.9
177.02423	3.9
177.06081	4.0
183.01363	1.6
183.05037	2.3
185.02917	3.9
185.06561	1.8
187.00885	35.3
187.04495	1.8
188.05255	0.7
189.02466	17.2
189.06044	7.4
191.04013	15.0
195.05138	1.1
195.07076	0.9
196.99303	12.5
197.03113	0.9
199.00911	1.7
199.04605	1.2
201.02473	5.8
201.04135	0.6
201.04459	0.8
201.06070	5.8
202.05954	0.9
203.04022	10.1
203.07684	1.2
205.01941	9.9
205.05463	1.0
211.00832	0.7
213.06076	2.6
214.04091	0.8
215.00385	42.1
217.01920	2.3
217.05515	0.9
219.03589	5.0
219.07133	6.5
221.05081	19.0
223.06512	1.0
225.06088	0.9
229.01941	29.1
230.05353	0.9
231.03581	4.5
231.07118	5.2
233.01567	3.5
233.05070	23.3
233.08775	1.4
235.06726	1.1
238.01852	0.8
243.07086	2.5
245.05124	5.2
247.03004	79.0
248.03218	0.8
249.04640	4.3
251.06198	1.1
255.07109	1.6
259.06714	1.0
261.04681	1.9
261.08218	25.2
265.04037	8.9
270.04684	1.4
273.08212	1.4
279.05710	4.9
279.09238	37.0
289.04056	13.8
297.06567	0.7
303.05588	0.7
305.88934	0.7
307.04965	1.8
321.06577	11.0
321.11145	100.0
322.10635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16004	0.4
70.11042	0.7
70.11452	1.2
131.58833	0.4
155.98087	0.4
223.06651	0.6
311.71503	0.4
321.11639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01854	0.7
55.05501	0.9
58.51415	0.7
65.03912	0.8
67.05506	10.5
69.03422	1.8
69.07047	1.2
69.61452	1.2
69.61848	2.5
70.06596	3.5
71.04993	1.3
78.31258	0.6
79.05501	1.5
81.03431	3.6
81.07059	5.5
85.02919	1.6
85.04045	0.7
85.06501	0.7
91.05473	2.2
93.07054	1.9
94.06570	7.0
95.04939	0.8
95.08631	1.4
98.21428	1.3
98.97590	0.9
105.07036	1.2
107.08569	1.0
109.02910	1.0
113.08008	0.7
117.03364	1.2
119.08611	0.8
120.08177	0.7
121.02887	0.8
122.06029	27.8
122.06911	1.4
123.11668	2.1
129.88821	0.7
130.06520	1.0
132.08060	0.7
133.10109	0.7
136.07581	61.8
137.05962	0.7
140.07039	1.2
141.12729	1.5
145.02850	1.5
146.05998	1.7
147.04425	1.4
162.05519	1.8
164.07069	100.0
165.07408	0.7
172.03952	0.7
172.53799	0.7
177.05478	2.0
182.08133	80.4
185.13414	0.7
188.07036	1.1
221.44824	0.7
231.08368	0.7
243.11133	1.2
255.37343	0.7
259.14542	1.7
268.16122	0.8
285.12241	2.3
286.17508	0.7
289.05386	1.6
303.10373	0.7
303.13428	3.8
304.11774	0.9
307.06354	3.3
321.07999	3.0
321.14896	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
54.31178	0.5
55.01845	0.5
55.05531	0.5
56.96555	0.9
65.03937	0.8
67.05500	5.2
69.03425	1.3
69.07088	0.9
70.06599	1.0
71.04984	0.6
71.55505	0.8
79.05489	1.5
81.03419	3.7
81.07045	1.4
83.04981	0.6
85.02905	0.8
85.06531	0.6
86.09686	0.6
91.05470	3.8
93.07046	2.3
94.06576	7.9
95.04983	1.3
95.08594	0.7
97.02860	1.0
97.06544	0.6
98.97595	0.8
104.80157	0.6
105.07005	1.3
106.71568	0.6
107.08584	0.6
108.04494	0.8
108.08118	1.3
109.02894	1.3
114.78068	0.5
116.98657	0.5
117.03375	1.5
117.06961	0.7
119.08631	0.9
122.06030	90.9
123.08072	0.6
123.11745	0.7
131.08571	0.6
136.07581	100.0
140.07022	1.1
145.02849	2.3
146.06012	0.5
147.04404	0.6
149.05983	0.6
150.05505	52.0
162.05515	2.6
163.03925	0.5
164.07068	3.5
168.05193	1.1
168.06567	17.6
177.05449	3.7
181.94180	0.5
182.08093	1.1
187.07649	0.7
187.12315	0.7
188.07082	0.6
189.05502	1.0
198.09160	1.8
215.11749	1.5
219.01813	0.9
237.02840	1.1
243.11273	5.3
258.11301	1.3
285.12317	2.9
286.10751	4.3
303.13367	4.4
304.11783	1.5
320.60983	0.9
321.09875	2.8
321.14404	1.5
321.17941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
55.05496	1.8
56.96555	2.6
61.01147	2.6
62.73143	1.2
67.05490	2.6
69.03417	3.8
69.07043	2.3
70.02946	1.5
70.06584	3.7
71.04955	1.7
71.48921	1.1
71.54320	2.5
72.04520	14.3
78.03786	8.6
79.05483	3.6
81.03426	10.4
81.07047	1.4
83.04953	2.7
84.08134	1.4
85.02882	2.5
85.06511	1.6
86.06065	1.4
88.02211	3.1
91.05474	7.9
93.07029	2.6
94.06548	3.7
95.04958	5.6
98.97566	2.6
99.05587	4.4
102.03773	7.5
103.02175	26.4
103.05461	3.0
105.07029	2.0
107.04945	1.4
107.07353	2.5
109.02854	6.8
109.06618	1.4
111.04433	3.7
113.05985	3.2
114.03736	4.6
114.05539	39.0
117.07091	1.5
118.06520	2.0
119.04932	5.0
120.04814	22.7
120.08051	1.6
121.06519	1.8
122.06001	4.1
124.07587	5.3
127.03943	2.3
128.07062	1.5
129.76529	1.2
131.04900	3.5
131.49638	1.3
132.04805	10.2
133.06503	1.5
134.06038	1.7
136.07573	15.7
137.06003	2.7
142.08620	9.1
145.02837	6.0
147.04416	12.4
149.06114	2.6
149.07443	16.3
152.07036	5.0
159.04419	5.4
159.05870	9.1
162.05518	8.0
163.06224	3.3
164.07011	1.9
174.05844	6.2
175.05321	2.0
177.05464	12.3
180.06534	3.3
184.09666	1.8
191.08501	100.0
193.04965	4.9
205.01799	1.2
207.06480	1.8
211.05919	2.5
214.68687	1.4
219.01662	1.3
243.11191	2.1
258.11337	5.8
261.12320	1.6
263.33813	1.4
267.11163	2.6
285.12323	4.2
286.10822	2.6
303.13596	63.5
321.09863	13.4
321.14609	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	321.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90997	0.5
57.03412	1.0
58.99861	0.7
61.02920	1.0
66.57156	0.5
67.08906	0.6
68.98298	1.1
69.03433	0.9
70.06394	2.5
70.99849	1.9
73.01416	1.7
73.02916	0.5
82.99835	9.5
85.01395	1.5
85.02901	1.3
86.24667	0.5
89.00904	0.7
91.02462	1.7
92.05061	0.8
94.99841	1.4
97.01398	4.6
97.02899	1.1
98.97589	1.6
99.02950	1.0
101.00888	63.9
103.02460	1.7
105.04015	0.7
109.66813	0.6
113.00874	19.0
113.03489	1.3
115.02437	21.8
117.03989	4.8
119.01928	69.4
120.01953	0.7
123.05071	0.7
125.00876	1.6
125.09540	0.9
126.98818	2.1
127.02444	3.8
129.00348	1.1
129.03091	1.0
129.03978	5.3
131.01917	26.7
133.03476	35.9
135.05031	2.7
137.00903	3.4
137.02057	0.8
137.02954	6.2
139.02390	1.3
141.03958	2.4
143.01903	20.7
144.99837	3.1
145.03482	10.9
147.01343	1.7
147.05060	3.7
149.02968	3.4
151.04538	2.8
153.03973	1.3
155.01898	17.0
156.02692	2.1
157.03470	7.7
159.01396	2.6
159.05038	14.6
159.06245	0.6
161.02982	21.6
163.04503	2.4
167.05597	0.8
168.99834	18.5
169.03580	0.8
171.01389	9.3
171.05038	16.2
172.99358	1.0
173.01408	1.2
173.02965	21.1
173.06615	2.9
175.00858	1.1
175.04536	4.7
177.01018	0.9
177.02423	3.9
177.06081	4.0
183.01363	1.6
183.05037	2.3
185.02917	3.9
185.06561	1.8
187.00885	35.3
187.04495	1.8
188.05255	0.7
189.02466	17.2
189.06044	7.4
191.04013	15.0
195.05138	1.1
195.07076	0.9
196.99303	12.5
197.03113	0.9
199.00911	1.7
199.04605	1.2
201.02473	5.8
201.04135	0.6
201.04459	0.8
201.06070	5.8
202.05954	0.9
203.04022	10.1
203.07684	1.2
205.01941	9.9
205.05463	1.0
211.00832	0.7
213.06076	2.6
214.04091	0.8
215.00385	42.1
217.01920	2.3
217.05515	0.9
219.03589	5.0
219.07133	6.5
221.05081	19.0
223.06512	1.0
225.06088	0.9
229.01941	29.1
230.05353	0.9
231.03581	4.5
231.07118	5.2
233.01567	3.5
233.05070	23.3
233.08775	1.4
235.06726	1.1
238.01852	0.8
243.07086	2.5
245.05124	5.2
247.03004	79.0
248.03218	0.8
249.04640	4.3
251.06198	1.1
255.07109	1.6
259.06714	1.0
261.04681	1.9
261.08218	25.2
265.04037	8.9
270.04684	1.4
273.08212	1.4
279.05710	4.9
279.09238	37.0
289.04056	13.8
297.06567	0.7
303.05588	0.7
305.88934	0.7
307.04965	1.8
321.06577	11.0
321.11145	100.0
322.10635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20953	3.4
54.83320	3.4
55.05513	16.7
56.96568	5.3
57.03430	6.4
67.05496	14.8
68.56974	3.6
69.03440	8.3
69.07074	7.3
69.18723	3.3
69.56017	7.2
69.56429	16.6
72.08138	3.6
79.05514	17.3
81.02991	5.2
81.03420	55.0
81.07059	21.5
83.04987	18.9
83.08634	18.4
83.09061	4.2
85.02901	17.1
91.05484	24.6
93.07027	11.6
95.04955	17.6
95.08592	6.5
97.02886	3.9
97.06557	3.6
98.20690	3.3
105.07021	23.2
107.04967	7.6
107.08585	8.6
109.06570	3.8
109.10155	4.6
110.07102	4.2
111.04427	6.2
111.08089	8.6
119.08577	11.9
120.08103	7.3
121.10139	6.9
123.05980	3.5
129.05531	4.4
129.06979	11.7
131.08540	5.9
133.06540	4.3
133.10110	12.5
147.04427	3.7
147.11696	9.4
149.09615	4.5
157.10117	9.6
175.11110	16.4
177.05513	7.2
193.12259	55.7
211.13297	47.1
218.07422	9.9
267.15891	14.0
285.16971	100.0
321.07660	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	321.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32463	0.7
69.99391	2.2
70.48500	0.6
72.29614	0.6
80.85421	0.7
101.00875	2.3
119.01938	1.8
129.03134	0.7
143.01877	1.2
157.03482	0.7
178.03162	0.7
187.00841	0.8
195.57445	0.8
201.02483	1.2
202.06026	0.9
205.05522	0.8
214.04175	1.4
219.03568	1.1
223.06673	2.5
230.08218	0.8
254.65884	0.6
321.11633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.097
Annotation	CHEBI:68225
Peak:m/z	Relative Intensity
51.02704	0.8
52.48969	0.9
53.03953	1.5
55.01876	2.1
56.96548	1.6
57.03418	1.3
61.02926	1.9
64.87377	0.9
65.03962	4.9
67.05507	1.4
69.03436	12.2
70.06590	2.8
71.01363	2.0
71.04994	1.0
71.53693	1.4
73.02940	1.7
79.05489	2.4
81.03417	3.7
81.07054	1.8
83.01351	1.4
84.08150	2.6
85.02910	4.4
85.03391	1.0
89.03918	1.7
90.26330	0.9
91.05486	8.4
93.07060	0.9
95.05012	1.4
95.08606	1.9
97.02874	4.8
98.06089	1.0
98.97581	3.9
99.04456	3.1
103.05453	3.5
105.03391	1.4
105.07041	3.4
107.04955	2.3
109.02857	1.1
109.06531	1.1
115.05488	8.0
116.98637	1.2
117.03403	3.2
117.07027	2.9
119.01902	1.0
119.04927	6.3
119.08527	1.1
121.06536	1.3
122.06075	1.5
128.06230	2.8
128.98590	1.1
129.03366	3.4
129.07016	7.6
131.04944	3.7
131.08597	2.3
133.02878	1.8
133.06512	1.5
135.04379	1.6
137.05905	1.6
141.06999	10.8
141.09103	1.1
143.04959	3.2
144.05634	1.2
145.02838	24.8
145.04939	4.1
145.06525	4.0
146.03676	1.1
147.04424	10.2
149.06047	2.2
153.06958	1.3
157.06537	8.0
158.99707	1.5
159.04446	4.5
159.08084	1.8
161.06003	3.3
163.03957	4.6
165.05489	1.4
168.05719	1.9
169.06479	9.4
171.04457	7.5
173.05988	2.5
175.03960	4.3
175.07536	1.0
177.00740	1.3
177.05481	35.3
185.01321	1.0
185.02980	2.8
185.05948	5.1
187.03957	2.7
187.07523	2.9
189.05489	35.8
191.03459	1.4
191.07043	1.5
193.05002	4.1
195.04482	1.9
197.06003	9.7
199.03922	5.4
201.05545	1.7
202.06282	1.6
203.03778	4.5
203.07021	9.2
205.04956	4.9
207.06538	3.7
208.09683	1.2
213.05595	4.8
215.06902	4.9
217.05002	1.7
219.01654	1.1
219.06564	2.1
225.05463	6.6
227.07111	2.7
229.08658	3.7
231.06606	9.5
233.08096	1.2
241.04955	1.3
243.06529	6.4
245.08112	2.9
253.05023	2.3
257.08130	3.3
261.07635	4.4
271.06021	4.4
273.07742	1.5
275.06158	6.2
275.09134	2.6
285.07547	1.1
289.07220	8.8
303.08823	3.0
303.13641	4.8
307.08148	1.2
321.09744	100.0
321.14435	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.05493	2.8
56.05042	7.8
56.96560	4.0
57.05825	1.7
60.05636	2.6
60.61226	1.0
64.96344	1.3
65.03928	3.5
66.42828	1.2
67.05487	1.7
67.34258	1.1
69.03437	5.7
69.04530	1.2
69.07068	2.3
69.68446	1.5
69.68742	7.2
70.06602	5.7
71.04980	2.4
71.06084	1.3
79.05481	2.4
81.03407	4.8
81.07063	1.7
83.04975	7.6
83.06091	3.2
84.96043	1.6
85.02904	9.7
86.09719	3.3
91.05490	6.3
92.05000	3.6
93.07011	2.7
95.04947	3.3
95.06089	3.1
95.08601	3.0
96.08096	3.5
97.02876	3.0
97.06506	2.9
98.20783	2.7
98.97581	5.7
99.04458	1.7
105.12323	1.2
109.02882	9.7
111.00749	1.3
111.04434	3.8
111.05582	10.5
111.08138	1.2
113.07104	4.1
114.40380	1.2
116.39023	1.2
116.39844	1.0
116.98638	1.2
119.04922	4.8
120.04469	3.5
124.07597	3.1
126.06613	3.1
126.09175	8.8
127.03926	4.4
127.07427	3.2
129.05490	2.1
130.06516	2.8
132.04448	15.9
134.06053	6.9
135.04355	2.1
136.07574	1.2
137.04694	1.9
137.05948	2.6
138.09116	2.2
139.03911	2.5
139.07567	1.2
139.11166	3.7
140.08168	2.5
141.96021	1.3
147.04385	5.7
148.03929	4.2
150.05518	8.7
151.06152	9.6
152.07077	22.7
153.01877	1.4
157.01640	1.6
157.08629	2.5
157.09747	3.3
157.12239	4.5
159.19809	1.2
163.03883	5.3
165.06673	1.6
166.05011	42.9
176.03384	5.4
176.07007	1.3
177.00642	1.5
177.05472	1.9
182.04515	7.6
187.08763	6.9
189.05437	5.4
193.05054	1.3
194.04535	4.3
199.08582	1.3
200.10738	2.5
202.09717	3.3
203.08218	3.4
209.24933	1.1
211.08485	2.1
212.09366	3.0
217.07126	3.8
225.10133	2.8
227.11829	3.5
228.10225	3.3
229.13304	1.7
230.09259	2.5
231.07632	31.5
232.10811	2.1
233.09114	3.2
233.13971	9.5
234.12309	2.0
237.02798	1.3
237.41942	1.6
240.08789	2.5
241.09781	2.9
242.09196	1.6
243.11137	1.5
246.08734	1.7
253.09644	2.4
255.11275	5.4
257.10211	6.4
257.12857	2.8
259.07260	2.4
259.11929	30.0
261.13080	8.2
270.10214	2.0
271.10773	7.7
273.08899	2.0
273.12317	3.4
277.12970	100.0
283.10809	36.0
283.13950	1.3
283.40875	1.1
284.11444	5.8
289.11880	7.3
301.11868	39.1
302.12494	54.7
319.15094	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70501	0.3
55.05542	0.6
56.96622	0.8
57.03482	0.5
60.04563	0.6
65.03983	0.4
67.05575	1.1
69.03502	1.3
69.07129	0.5
69.87953	1.2
71.05030	0.6
71.53842	0.3
72.08205	0.9
73.08533	0.5
81.07098	0.4
83.05064	1.3
84.08221	0.6
85.02917	1.6
86.09782	2.1
87.10089	0.4
91.05556	0.3
93.03468	0.8
93.07128	0.4
94.06649	0.4
95.05057	1.3
98.05471	0.3
98.97677	1.3
99.04539	0.5
103.03944	1.6
109.02954	0.6
111.04428	2.6
120.79161	0.3
122.06085	0.5
124.07647	0.4
127.03972	0.5
129.05478	1.6
130.06555	0.3
135.04538	0.4
139.03966	1.0
139.11310	0.3
140.07169	0.4
153.05495	0.4
157.04999	0.4
157.07654	0.7
157.08798	0.5
158.99762	0.4
159.11380	0.5
160.11725	0.8
163.03999	1.2
167.07278	0.5
170.08388	0.6
171.06636	1.0
171.09268	1.5
172.11253	0.4
174.09206	0.6
178.05089	0.6
182.09676	0.4
183.09268	0.6
184.09932	2.1
185.07146	0.4
188.11111	0.4
193.07602	0.4
194.08443	0.8
195.09344	0.4
198.07993	1.4
199.08582	1.9
199.12335	1.6
200.10744	0.9
209.10881	1.3
210.09366	0.5
210.11459	0.5
211.08669	2.3
211.12361	0.5
212.09442	4.2
213.10277	4.2
217.07068	3.3
225.10208	3.0
226.11014	9.8
227.11797	12.4
228.10213	5.0
229.09798	0.6
231.07770	0.4
231.80350	0.3
237.02881	0.4
241.09894	0.4
245.12933	0.6
254.10623	1.9
255.11279	7.9
257.09183	0.4
259.52960	0.4
270.10001	17.7
271.10767	2.9
272.11569	15.3
273.12341	8.0
275.13727	0.4
277.13019	1.0
283.10767	8.3
301.11841	100.0
302.12222	1.3
319.12878	42.4
320.13135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.6
55.05517	14.1
57.03433	6.4
59.05003	3.9
67.05530	11.3
69.03436	2.3
69.07077	5.8
71.05001	2.4
71.40319	2.8
79.05489	17.2
81.03410	10.7
81.07063	22.4
82.07377	7.2
83.01350	11.2
83.04992	12.7
83.08616	14.5
83.95496	1.9
85.02930	13.6
86.03207	2.3
91.05499	11.2
93.07053	23.4
95.04945	6.0
95.08596	7.4
97.02905	4.0
97.06536	8.2
105.07039	7.2
107.04942	10.1
107.08616	13.5
109.06558	5.1
111.04462	4.0
113.20745	2.0
113.87771	2.0
117.07047	10.2
119.08566	8.4
121.10130	7.4
123.04486	1.9
123.08106	7.2
131.08563	4.4
135.08046	2.6
135.11731	11.0
137.09596	2.6
138.13564	2.9
139.40942	2.3
145.10164	15.6
147.08020	3.8
153.12704	6.3
163.03719	2.0
163.11188	37.1
165.77647	2.2
173.09644	6.7
181.12288	7.4
191.10741	5.4
209.11708	20.6
209.46507	2.5
227.12828	15.9
237.75775	2.3
258.04907	2.5
259.09528	2.8
275.04941	4.1
283.15396	100.0
303.04547	6.2
318.06982	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2025
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05508	5.9
56.96565	2.1
60.04527	27.2
69.03432	2.0
69.07070	2.1
70.02943	1.3
70.06577	3.2
71.55210	1.3
72.08157	70.6
73.02924	2.5
74.06080	1.4
79.05476	1.8
81.03422	3.1
81.07054	1.9
84.04513	1.1
84.08127	2.5
85.02905	3.7
86.09708	55.3
87.05592	16.1
91.05462	3.7
93.07052	1.0
93.85811	1.0
96.08125	1.8
97.02902	2.0
98.97588	3.9
107.04961	1.5
109.02859	1.8
114.05521	1.5
114.09173	18.2
116.98663	1.0
118.08645	2.8
121.06493	1.6
128.10698	5.0
130.06519	1.7
131.08604	1.1
132.10226	7.0
132.88148	1.0
133.06538	1.1
137.06053	1.1
147.04366	1.9
156.10204	3.4
158.99680	1.6
159.11295	100.0
173.12863	42.1
173.39601	0.9
187.10789	43.4
187.14427	1.7
188.07062	2.0
201.12331	18.0
205.11819	1.3
213.10168	0.9
219.13373	2.2
227.11752	1.6
231.16956	2.5
270.10178	1.5
272.11737	1.1
287.12134	1.1
288.10431	1.4
301.11893	9.1
318.09781	1.6
318.20422	1.1
319.12939	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	319.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
56.96569	2.1
58.53463	0.9
58.99863	3.0
61.02908	1.6
65.03939	2.3
67.05473	1.1
68.66520	0.8
69.03401	3.0
70.06576	1.5
70.48460	3.6
70.99854	6.2
71.22252	0.8
72.08137	1.5
73.01421	1.3
73.02929	1.1
77.00886	1.1
82.99807	4.6
83.04964	1.2
84.08160	2.0
85.01377	0.9
85.02902	4.4
89.00892	2.9
91.05482	12.0
92.05831	1.0
95.04951	2.5
95.06089	1.1
97.01372	0.9
97.02883	2.5
98.97589	11.7
99.08086	1.3
101.00886	36.4
103.00639	2.1
103.03915	1.7
107.04967	2.1
111.04439	2.4
113.00867	4.2
115.02438	9.0
116.98611	2.7
117.03939	1.0
119.01924	46.6
119.04935	11.4
120.05272	1.8
121.01685	1.9
124.76468	0.9
125.76431	0.8
127.02394	1.7
127.03945	2.4
129.03317	3.8
129.05467	2.0
131.01926	7.9
133.03487	38.8
133.06461	3.1
135.04390	0.9
137.02933	5.2
139.02391	1.7
139.03902	1.1
143.01903	10.3
144.02042	1.0
145.01707	1.1
145.03502	4.6
146.03558	1.1
147.01411	1.5
147.04391	12.9
148.04758	2.4
149.02946	4.2
151.04527	6.4
155.01881	5.6
156.99823	6.5
157.03453	4.9
157.04733	19.7
158.99687	1.9
161.02951	10.8
161.05908	4.3
163.02701	1.9
163.04536	2.1
165.05478	1.9
167.03856	1.1
171.01387	13.3
173.01273	2.0
173.02945	9.7
173.06578	1.1
175.00894	47.2
175.03870	5.3
175.08221	1.1
177.00710	1.9
177.05345	1.3
179.02261	0.9
179.07066	1.0
185.04289	1.8
187.04559	1.1
189.00754	1.7
189.02483	29.3
189.05429	12.8
190.05789	3.0
191.03943	3.7
191.05641	1.9
193.01985	7.9
199.00859	16.5
199.08286	1.2
203.04002	8.0
205.05585	2.4
207.04869	1.7
207.06699	6.1
208.06990	1.4
215.04053	2.5
217.01949	100.0
217.07065	4.7
219.03502	1.3
221.05067	11.2
222.04565	1.5
223.06595	4.7
225.06018	1.3
227.00302	2.4
229.01945	1.5
229.05605	4.6
229.09230	1.4
231.01430	1.1
231.03505	13.4
233.03116	1.5
233.05113	1.5
235.02998	48.0
240.03514	2.7
241.07576	1.4
245.01346	4.2
247.06630	6.7
249.04617	7.5
251.04314	3.3
257.05090	2.8
259.02991	28.8
263.02277	1.3
269.05334	2.9
275.06277	6.0
277.04044	51.5
291.05728	1.5
293.05008	1.8
293.07361	2.9
295.05072	4.6
300.05634	1.8
301.13928	1.4
311.06329	1.0
319.00955	6.4
319.05002	7.9
319.09363	13.3
319.13571	73.0
337.09641	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.97036	1.0
53.03936	1.4
55.01869	2.5
55.05297	1.2
55.05510	10.8
57.07072	5.2
59.04992	5.2
65.03941	1.5
67.05511	42.9
69.03412	5.1
69.07053	3.6
71.04990	2.4
71.27519	2.6
73.00700	1.4
75.99739	1.2
78.82098	1.3
79.05504	9.8
81.07064	23.6
83.04988	3.2
83.08612	5.4
85.06537	1.9
88.07646	1.3
91.05478	12.5
93.07054	16.4
95.04974	23.6
95.08612	17.6
97.06535	6.2
105.07043	13.3
106.93815	1.2
107.07880	2.0
107.08601	37.4
109.06516	12.9
109.10163	73.9
111.08044	2.0
113.09663	1.6
117.07047	3.3
119.06068	1.7
119.08591	49.2
121.06509	5.9
121.10154	9.1
123.08071	22.4
125.05989	1.9
125.09637	2.4
129.06917	2.0
131.08549	4.9
133.06477	2.3
133.10126	11.1
135.08052	10.5
135.11687	2.7
137.05946	2.9
137.09621	56.6
139.07538	1.7
142.07831	1.7
143.08545	5.6
144.09296	1.8
145.10106	9.1
147.08032	4.3
147.11679	5.4
149.09613	4.1
151.07553	53.0
153.05486	3.7
155.08568	1.9
155.10710	1.9
156.09392	2.5
157.10121	3.6
159.08063	1.8
159.11652	3.9
161.09618	9.1
161.13310	2.6
163.07547	1.5
163.11176	3.9
165.09084	6.5
167.07098	2.1
168.09355	1.4
169.10100	2.4
171.11693	4.7
173.09663	2.9
173.13211	2.5
175.11172	3.5
177.09088	2.8
177.12714	1.6
179.10663	1.7
181.08626	3.8
181.12215	4.8
182.10817	1.5
183.11821	1.6
187.11215	2.5
189.12733	18.9
191.10626	2.0
191.14325	2.6
197.13303	2.8
199.11252	3.4
199.14679	1.4
201.12791	2.3
203.14276	1.9
207.13806	20.1
213.12827	1.8
213.16333	1.6
215.14296	3.4
217.12137	1.9
219.13707	1.9
221.15443	4.1
223.14882	1.7
225.12720	1.4
233.15395	3.5
237.14786	6.3
243.13812	10.0
256.26306	1.7
257.19052	2.4
259.16998	2.1
261.14835	5.0
281.19016	3.9
299.20102	13.4
317.21127	100.0
318.30121	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	317.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.01867	3.7
55.05507	7.8
56.96556	5.6
57.03413	7.5
59.05014	3.0
67.05501	17.7
69.03421	5.7
69.07066	6.0
71.04993	4.0
71.55572	2.3
71.55949	3.3
79.05475	19.8
81.03421	100.0
81.07051	21.6
83.04981	6.0
83.08610	19.7
91.05479	24.9
93.07052	17.8
95.04974	27.3
95.08598	5.7
97.02864	4.9
97.06517	16.2
97.10153	2.9
98.97582	8.5
100.14872	2.5
105.07015	15.6
107.04943	7.5
107.08584	9.2
109.06541	6.2
111.08090	12.9
119.08572	15.6
121.06499	4.7
121.10143	9.9
123.08068	3.2
129.07019	6.6
131.08556	9.5
133.10124	8.4
137.05927	6.0
138.05455	3.2
142.07732	3.0
147.08038	5.8
147.11656	7.7
149.05971	3.3
149.09618	9.9
157.10147	15.0
162.62158	2.7
163.03975	4.2
163.07614	2.9
169.35223	2.4
170.66823	2.6
175.11188	12.1
192.12941	2.9
193.12250	95.4
203.08281	3.6
211.13283	11.3
218.11798	9.4
228.10165	4.8
234.15833	2.6
246.11176	5.8
259.09601	4.2
267.15918	66.3
279.61923	2.6
285.16956	14.6
288.07504	3.8
289.11899	3.5
299.09534	7.5
299.13660	2.4
317.06735	7.9
317.11118	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	317.1598
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.76497	0.6
53.03941	1.9
55.01855	0.8
55.05502	1.7
56.96572	1.1
57.03434	2.6
59.04990	1.2
61.02935	4.9
67.05499	5.8
69.03430	13.2
69.29021	6.1
70.06589	1.3
71.04977	1.4
72.08150	0.6
73.02911	2.0
79.05486	2.4
80.06713	0.6
81.03427	5.5
81.07049	1.6
84.08142	1.0
85.02908	32.1
86.09697	1.7
87.04481	3.7
87.10088	0.8
91.03960	1.7
91.05470	2.9
93.07050	13.3
94.56760	0.6
95.04961	0.8
95.08612	43.0
97.02892	11.5
98.21571	1.0
98.97589	0.8
99.04439	2.3
107.08583	1.4
109.02871	3.2
109.06510	0.7
109.10153	2.8
116.07095	1.9
119.08583	1.9
121.06504	0.7
125.09632	0.9
127.03917	7.8
132.95906	0.7
133.04759	0.7
135.04410	0.7
137.05951	2.0
137.09583	6.0
145.04970	6.4
147.04391	0.8
154.94260	0.8
155.06995	2.9
155.10670	100.0
163.03943	2.6
173.12898	0.8
185.04250	1.5
203.05280	6.3
230.79031	0.8
271.10590	0.8
287.10358	1.9
299.10101	2.7
302.04199	0.7
317.06366	1.3
317.12122	18.3
317.15973	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	317.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01859	2.1
55.05506	2.9
55.79321	0.9
56.87748	0.9
56.96561	1.4
57.03422	4.0
57.07066	1.8
57.48137	0.9
59.04993	0.9
61.02904	3.8
67.05489	4.3
67.05792	0.9
68.85551	0.9
69.03435	8.6
69.07060	3.9
71.05000	2.1
71.55858	1.3
73.02898	2.5
79.05495	9.2
81.03407	3.3
81.07058	100.0
83.04967	2.2
85.02905	70.5
87.04466	1.6
91.05484	4.6
93.07042	8.0
95.04952	1.5
95.08604	17.5
97.02897	12.3
97.06516	3.6
99.04451	1.9
103.03944	3.0
105.07037	5.4
107.08589	8.3
109.02872	7.4
109.06524	1.3
109.10158	2.6
111.04423	3.2
111.08084	1.2
115.03908	1.4
117.07015	1.3
119.08594	5.3
121.06495	1.3
121.10143	1.4
123.08122	1.5
127.03916	15.1
129.05443	3.5
129.07013	1.5
131.08574	2.8
133.05051	1.7
133.06459	1.1
133.10103	4.0
135.11690	7.5
137.05972	2.5
137.13255	39.3
143.08560	2.5
145.04967	18.2
145.10089	2.7
147.11679	2.3
149.13232	2.2
157.10153	1.8
159.11708	3.5
161.09535	1.8
161.13269	2.6
163.03909	1.5
163.06033	14.9
163.07384	1.8
168.00664	1.1
171.11795	1.2
173.13185	2.2
177.12766	1.5
185.13316	2.1
199.14743	1.2
199.24413	0.8
203.14276	1.5
221.15204	1.4
223.47472	1.0
228.03964	1.0
245.15343	2.6
257.04501	4.1
259.09769	2.2
263.16391	3.9
274.01703	1.6
274.04712	28.0
281.17398	2.6
283.15247	1.2
283.70523	1.0
299.09079	1.0
302.04218	55.6
303.04596	1.1
317.06540	63.6
317.13693	2.6
317.19720	4.3
318.06842	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.9
56.96538	0.6
57.03439	16.2
57.07077	46.5
57.80165	0.4
67.05193	0.5
67.05511	8.0
69.07070	9.3
70.55479	1.2
71.04980	0.7
71.08632	30.6
75.04484	0.6
79.05476	1.2
79.99763	0.4
81.07056	12.3
83.05002	0.4
83.08156	0.7
83.08618	9.4
85.06545	0.9
85.10184	15.3
87.92845	0.4
89.06030	2.2
91.05489	0.4
91.06542	0.3
93.07044	1.4
95.08608	16.6
97.06522	0.6
97.10186	4.5
99.08086	0.5
99.11706	1.2
101.06056	0.5
103.07587	2.2
105.07037	0.5
107.08589	1.0
109.10157	9.5
111.08045	0.4
111.11707	1.3
113.13292	0.4
117.09132	0.6
121.10160	1.1
123.11710	3.3
125.13257	0.9
133.50787	0.4
135.11699	0.7
137.13240	1.3
149.13316	0.5
151.14850	0.8
159.11694	0.5
160.35867	0.4
165.16455	0.6
171.44905	0.4
179.17957	0.5
221.22682	0.6
239.23720	4.1
257.24753	4.8
272.15366	0.7
313.27365	100.0
314.27573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05277	0.5
55.05515	5.6
57.03442	13.9
57.07077	41.0
59.04448	0.5
61.78271	0.6
67.05502	6.7
69.07073	5.9
71.04247	0.7
71.04581	0.6
71.05005	0.7
71.08635	26.2
76.51849	0.4
79.05466	0.6
81.07061	11.1
83.08151	0.7
83.08625	8.8
85.10187	14.3
89.06042	2.5
93.07001	0.7
95.08611	15.2
97.10177	4.4
97.32450	0.5
99.11736	0.7
103.07556	1.2
109.10163	7.3
111.11707	1.3
113.36318	0.5
123.11706	3.2
125.13286	0.9
135.11674	0.6
137.13255	1.1
149.13260	0.5
183.77357	0.5
221.22462	0.6
239.23671	4.0
257.24811	4.8
298.27219	0.6
313.27371	100.0
314.27493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01862	14.0
55.05494	8.4
57.03445	34.3
57.07072	4.0
59.04996	5.0
61.02916	9.3
64.35659	3.2
65.03912	3.1
67.05507	19.3
69.03091	3.5
69.03436	47.5
69.07087	16.8
69.07373	2.8
70.06585	5.3
71.04989	16.2
71.55526	5.4
73.02917	7.2
79.05489	28.4
81.03423	27.0
81.07053	50.7
83.04968	12.7
83.08565	3.2
84.08156	3.4
85.02910	77.7
85.06547	5.3
86.09686	4.8
87.04470	4.9
87.96966	3.3
91.05066	2.7
91.05489	29.0
93.06486	6.1
93.07047	97.2
95.04978	18.6
95.08614	38.7
97.02895	23.1
97.06502	9.3
98.97577	8.5
99.04450	16.1
102.66914	3.2
103.03920	11.4
105.07029	44.3
107.04946	9.0
107.08601	100.0
109.02863	12.6
109.06520	24.6
109.10152	18.5
111.04439	10.5
111.08083	5.0
115.03911	7.7
117.06988	12.7
119.08584	46.1
121.06503	7.4
121.10162	20.1
123.04414	12.8
123.08057	11.5
123.11731	4.6
125.05955	4.1
127.03928	16.3
129.05501	4.4
129.07007	6.3
130.08618	4.3
131.08545	22.5
132.08081	4.4
133.04979	10.0
133.10136	22.9
135.08032	7.4
135.11691	91.9
137.06012	8.0
137.09602	5.5
137.13229	5.5
139.07451	4.0
141.05463	4.9
143.08600	8.2
144.08076	4.9
145.04950	9.9
145.06570	3.6
145.10101	26.0
146.05946	5.3
147.08044	9.6
147.11717	28.3
149.09674	4.1
149.13239	4.5
151.03877	12.3
151.07506	6.3
151.11150	6.1
152.04222	7.5
153.04398	6.8
153.12762	33.3
155.08527	4.5
157.10109	9.7
158.06009	4.7
159.08101	5.3
159.11676	13.6
160.07529	3.3
161.05936	5.8
161.09636	7.0
163.11232	16.2
165.12767	55.7
167.07024	4.9
169.07579	21.6
169.10008	6.2
171.11626	4.2
173.09619	5.4
173.13281	5.6
175.11191	8.9
177.12724	11.5
177.93216	3.6
181.12245	7.2
189.12682	8.5
193.12230	7.4
201.12770	9.2
207.13612	7.7
213.10222	9.6
219.13786	11.5
223.13301	5.2
224.87984	3.9
227.04645	4.2
229.82912	3.6
231.13794	8.5
241.09784	21.8
243.13914	9.4
249.14786	6.6
255.09975	4.9
259.10843	43.3
261.14841	21.5
279.15909	24.8
283.09656	6.9
297.16785	28.0
315.13266	68.9
315.18015	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	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.26842	0.6
53.41410	0.6
55.05510	5.0
55.83792	0.6
56.05043	3.9
57.03444	1.1
57.07081	2.3
57.33413	0.7
60.04525	100.0
66.20653	0.6
66.48053	0.6
66.68577	0.6
67.05506	8.2
68.05053	0.7
69.07066	5.0
69.44755	1.4
69.45148	4.5
70.06596	1.0
71.08642	0.8
72.04519	2.3
74.06086	2.5
79.05488	3.9
80.05024	0.9
81.07060	7.7
82.06588	1.2
83.04993	0.8
83.08600	3.7
87.04482	1.7
90.05569	1.8
91.05488	2.5
93.07047	2.8
94.06586	0.8
95.04980	0.9
95.08606	8.6
96.08154	0.6
97.10181	2.4
98.97536	0.7
100.07599	0.7
105.07058	1.4
107.08615	2.1
109.10130	3.2
112.07607	0.7
115.20354	0.6
119.08576	2.2
121.10157	2.0
123.11728	2.1
133.10126	1.0
135.11673	1.5
137.13220	1.0
155.49382	0.6
182.17296	0.6
185.12296	0.6
185.50580	0.6
228.09102	0.7
250.25398	1.1
256.08331	0.8
256.26419	0.9
262.25372	1.2
280.26324	11.6
281.50555	0.7
281.72345	0.6
298.27393	14.6
302.04129	0.7
316.28452	58.0
317.21228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.04728	0.2
55.05502	0.6
56.96563	0.5
57.03434	0.3
65.03943	0.7
67.05496	0.5
68.68993	0.2
68.99794	0.4
69.03414	0.4
69.07082	0.4
70.06577	0.5
71.04990	0.3
71.54066	0.3
74.03860	0.2
77.10110	0.2
79.05493	0.3
81.03404	0.4
81.07039	0.7
83.04974	0.2
85.02887	0.8
85.06549	0.2
86.44028	0.2
91.05449	0.5
92.02625	2.7
93.03407	2.2
93.07039	0.5
94.04166	0.3
95.04991	0.4
95.08607	0.5
97.02890	0.5
97.06528	0.3
98.97578	1.0
99.08035	0.2
103.05521	0.2
105.07034	0.4
105.32352	0.2
107.04954	0.3
107.08564	0.4
109.02880	0.4
109.10136	0.6
111.00806	0.4
116.98586	0.4
117.07032	0.2
120.08080	0.2
121.02867	1.8
121.10190	0.3
122.03679	1.0
123.04469	0.2
126.03151	1.0
126.03905	0.2
128.06180	0.2
129.06984	0.2
131.08595	0.2
133.02835	0.2
133.10153	0.4
137.02336	0.4
137.05981	7.3
138.06310	0.6
139.03912	0.9
143.00117	0.2
145.02855	0.3
145.06520	0.2
149.05943	0.3
149.13303	0.3
151.03918	1.2
151.11122	0.2
153.01833	15.0
155.04913	0.3
158.99678	0.3
163.03925	0.4
165.01782	0.9
167.07048	0.4
173.06021	0.3
176.04616	0.2
177.05515	1.2
179.03459	0.3
181.06583	0.2
183.02986	0.4
183.04466	0.3
184.67274	0.2
189.05443	0.3
193.04413	0.2
200.04689	0.6
201.05466	1.7
202.07741	0.3
203.03365	1.2
213.05490	0.3
217.04973	2.2
218.05740	1.0
219.03072	0.4
228.04184	2.9
229.04869	4.6
231.02913	1.2
233.04517	0.2
235.02957	0.2
243.06487	0.4
245.04448	3.3
246.05222	2.9
256.03699	0.5
257.04349	3.4
260.03168	0.7
261.07639	0.5
271.06146	0.5
273.03958	2.8
274.04730	6.1
284.03165	0.8
285.03873	5.4
289.08591	0.4
293.07068	0.3
296.05682	0.3
299.09277	0.3
301.03336	0.3
302.04214	19.8
311.08044	0.7
317.06558	100.0
318.06876	0.4
329.08862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.7
55.01867	8.5
55.05510	48.3
56.05820	4.7
56.96577	25.1
56.96819	4.1
57.03439	9.6
57.07078	26.5
67.05505	86.5
68.82352	4.8
69.07060	57.0
69.26659	47.0
71.04982	23.1
71.08637	34.0
79.05492	63.2
81.03445	6.1
81.07058	90.6
83.04970	21.4
83.08614	22.8
85.06535	10.4
85.10172	22.9
91.05483	49.1
93.07043	98.3
95.04953	36.8
95.08605	98.3
97.06537	32.1
97.10187	25.4
97.10697	5.2
98.21538	11.5
99.08107	26.4
105.07030	70.4
107.08599	66.1
109.06519	9.6
109.10168	42.0
111.08076	6.5
111.11723	5.3
112.99147	10.5
113.09651	47.0
117.07018	15.0
119.08583	53.3
121.06519	15.1
121.09345	5.0
121.10164	64.3
123.08061	11.8
123.11653	9.6
125.09604	14.9
127.11143	8.4
128.06203	4.9
129.07014	13.4
131.00140	16.3
131.08565	42.1
133.10147	59.3
133.11124	7.3
135.08002	9.2
135.11705	28.3
137.09636	11.7
139.11176	32.7
141.12741	43.5
142.07782	13.2
143.08572	22.0
144.09357	6.2
145.10129	59.2
147.11684	26.3
149.01184	6.4
149.09608	19.4
151.11176	15.3
155.10587	6.4
156.09387	14.3
157.10123	37.2
158.10870	6.0
159.11676	32.3
161.13254	12.4
163.11166	14.5
165.12756	22.8
167.08600	6.2
167.10699	14.6
168.88460	5.2
169.10162	17.6
169.12245	9.3
171.11684	27.2
173.09592	13.4
173.13243	48.3
175.11177	7.9
175.14862	14.9
183.11703	13.6
184.12357	5.5
185.11748	11.4
185.13249	12.6
187.14824	12.6
191.14490	5.9
193.10191	6.5
197.13283	13.6
199.14774	25.5
209.13229	22.6
211.14844	10.7
213.16376	8.1
221.13271	6.7
227.14290	13.2
235.14938	7.2
241.19447	5.9
259.20569	12.1
262.64362	10.9
267.21051	8.5
271.64731	10.2
272.15082	10.1
277.21701	78.2
295.19852	8.1
295.22864	100.0
313.14188	11.5
313.17725	48.2
313.21606	70.3
313.24384	5.8
313.27606	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	313.2372
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03939	2.9
55.01872	5.8
55.05514	25.5
56.96550	6.0
57.03431	7.5
57.07078	16.9
59.04982	3.0
67.05508	51.9
69.03432	3.5
69.07069	39.0
69.49923	1.8
69.52979	13.6
71.04993	11.6
71.08633	20.7
79.05076	2.9
79.05499	38.5
81.03419	4.2
81.07059	47.7
83.04989	14.9
83.08617	17.1
85.02912	3.3
85.06544	5.2
85.10187	22.9
91.05482	27.9
93.07052	46.8
95.04969	9.5
95.08612	57.3
97.06530	13.2
97.10178	16.6
99.08096	18.4
100.05746	1.8
101.06049	1.9
105.07037	29.7
107.04938	3.0
107.08589	34.7
109.06508	4.4
109.10163	24.0
111.08102	6.3
111.11715	4.3
113.09649	40.9
115.05505	2.6
115.77222	2.0
117.07030	6.4
119.08576	25.7
121.06490	5.7
121.09327	3.9
121.10152	43.0
123.08091	6.1
123.11707	6.8
125.09615	7.1
126.39491	1.9
127.11209	4.9
129.07002	4.2
130.07767	2.6
131.08566	21.2
133.10109	18.8
135.08089	3.2
135.11694	14.8
137.09601	5.4
139.11191	16.7
141.12759	27.9
142.07761	3.4
143.08559	9.0
144.09319	2.1
145.10146	24.9
147.11699	18.6
149.09612	10.3
149.13269	8.4
151.11151	9.1
153.12753	4.3
155.08577	3.7
155.10690	5.9
157.10097	15.6
157.12242	2.9
158.10866	2.1
159.11734	11.1
161.09616	2.4
161.13232	12.0
163.11183	7.7
163.14838	3.8
165.12762	13.1
167.08524	3.5
167.10692	8.7
169.10172	5.1
169.12267	12.1
171.11711	12.3
173.09636	4.7
173.13283	12.1
175.11151	5.5
175.14813	5.4
177.12746	2.7
179.08598	2.9
179.14265	3.7
183.11725	5.5
183.13815	5.8
185.11734	4.7
185.13292	7.2
187.14827	3.5
189.11209	3.9
193.12270	4.5
194.10904	4.6
195.11705	2.7
197.09644	1.9
197.13274	4.3
199.14830	7.4
203.10936	1.9
203.12740	9.9
209.13272	7.6
211.14978	3.4
213.16393	3.4
221.13365	2.0
221.15509	3.1
225.16296	2.3
227.14339	4.0
231.17393	3.1
231.21071	3.0
241.19458	5.4
259.20554	6.2
272.15274	3.9
277.21622	64.8
283.15674	2.3
285.21790	2.1
295.22748	100.0
313.21649	33.4
313.25098	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	311.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
54.65625	1.4
55.01859	2.2
55.05269	2.3
55.05510	31.6
56.96563	3.2
57.03428	4.2
57.07081	16.6
59.04994	2.0
62.59100	1.6
65.03951	2.1
67.05505	53.9
69.03440	3.5
69.07072	60.6
71.04977	3.9
71.08621	8.7
71.55951	2.9
79.05499	19.2
81.03403	2.9
81.07059	100.0
83.04977	5.1
83.08621	32.2
85.06541	7.8
85.10166	2.9
91.05486	9.8
93.07047	30.3
95.04971	3.1
95.08610	99.1
97.06532	20.9
97.10170	25.5
98.97557	3.1
99.08090	11.4
105.07023	6.5
107.04977	2.9
107.08607	19.1
109.06526	2.9
109.10161	72.8
111.08037	4.3
111.11729	14.8
119.08560	4.4
121.10123	19.6
123.11705	30.8
125.05965	1.8
125.09633	4.1
125.13257	4.5
127.11086	1.8
129.07021	2.3
131.08556	5.1
133.06506	2.3
133.10121	2.3
135.11693	11.4
137.05984	8.3
137.13245	14.9
139.11147	5.5
141.06952	5.5
145.10106	2.5
149.09602	3.3
149.13264	13.2
151.14809	7.8
159.08029	3.2
163.14832	6.5
165.06993	1.9
165.16406	5.1
167.10765	2.1
169.06425	3.3
169.10207	1.9
177.16394	3.0
179.17921	6.0
184.16916	1.9
185.05933	2.2
187.07523	4.3
190.07924	2.2
191.08563	5.8
193.19572	3.3
209.11763	2.5
212.20848	1.8
215.07054	6.6
215.10638	3.8
218.07320	2.1
219.08051	7.1
219.20993	2.9
247.07634	3.1
251.06691	1.8
251.10814	9.3
259.82578	1.6
263.27362	12.5
275.20175	2.1
275.27316	7.6
279.10159	6.8
281.28299	4.5
293.28400	20.8
294.20682	4.0
311.09094	3.9
311.12778	39.3
311.16339	5.7
311.29413	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	311.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76640	2.0
51.73003	2.0
53.03934	3.3
53.95229	2.1
55.01876	2.5
55.05510	25.8
57.03439	2.3
57.07079	17.8
59.04993	2.9
61.52402	2.0
62.74448	1.9
67.05505	43.6
68.16459	2.0
69.03392	2.4
69.07069	62.4
70.71559	5.9
71.04992	1.9
71.08634	9.9
79.05494	15.1
81.07058	99.9
83.04966	3.6
83.08617	29.4
85.02886	2.4
85.06550	6.1
85.10178	3.5
91.05473	5.8
93.07050	20.9
95.04964	2.6
95.08608	100.0
97.02955	2.5
97.06531	14.1
97.10173	24.9
98.97580	3.0
99.08090	14.0
105.07023	5.0
107.08591	13.9
108.82586	2.1
109.06512	2.7
109.10158	79.7
111.11713	19.8
117.06991	2.7
121.10152	16.9
123.04516	2.3
123.11706	35.2
125.13280	7.1
131.08594	3.0
135.11717	13.2
137.05971	8.4
137.13266	16.8
139.11192	6.1
141.07010	4.6
149.13258	11.3
151.14827	12.4
157.10156	2.4
163.14822	6.3
165.16380	7.2
177.16449	4.8
187.07578	5.6
190.07880	2.7
191.08577	7.9
191.17981	2.7
193.19478	2.8
207.21120	2.8
211.11276	2.1
215.06911	2.9
219.08104	5.4
219.21141	2.8
223.07582	2.4
244.09300	2.2
247.07578	3.3
251.10648	8.9
263.20493	2.3
263.27338	10.6
275.27402	10.7
279.10092	4.5
281.28214	3.4
288.45544	2.2
293.28406	18.6
311.09418	3.2
311.12799	32.2
312.69843	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.3
53.03957	1.6
53.04161	0.4
55.01860	0.8
56.88910	0.2
57.03424	0.8
57.07098	0.2
61.03321	0.3
65.03937	3.1
65.32091	0.2
66.47547	0.2
67.05515	1.4
69.03429	5.4
69.35549	1.8
71.01353	0.5
71.04970	0.5
73.02895	0.5
79.05508	0.4
81.03420	11.0
81.07040	0.4
85.02433	0.4
85.02905	4.8
93.03400	3.8
93.07052	0.3
95.04958	0.9
95.08585	0.3
97.02896	3.9
99.04456	1.1
105.07025	0.4
108.02097	1.4
109.02882	4.2
109.10172	0.3
110.03685	0.4
111.04460	3.9
115.11364	0.3
123.04402	1.2
125.05984	3.3
127.03899	1.3
133.06578	0.3
135.08000	0.2
136.01599	0.5
141.05469	1.2
149.06017	0.3
149.07457	0.7
151.03912	100.0
151.04996	7.8
153.42767	0.2
154.98064	0.3
163.07570	0.4
169.04951	4.8
181.04938	2.5
295.08142	10.8
313.09103	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01869	7.3
55.05515	51.2
57.03433	4.5
57.07080	10.5
67.05509	68.3
69.03431	3.7
69.07074	54.5
69.45132	6.6
69.45558	7.1
71.05002	5.2
71.08643	12.6
72.49527	1.5
79.05492	36.8
81.07062	68.5
83.04978	6.8
83.08620	30.6
85.06553	5.0
85.10194	2.2
89.31774	1.7
91.05483	10.2
93.07045	28.5
95.08613	54.8
97.06552	9.7
97.10176	43.0
98.20740	2.0
99.08097	9.0
101.99847	1.5
105.07030	6.9
107.08604	39.9
109.06497	2.5
109.10165	38.4
111.04455	2.2
111.08115	8.6
111.11721	3.0
113.09631	3.1
117.07019	5.8
119.08604	6.1
121.10172	15.9
123.11723	16.0
124.97248	1.6
125.09647	32.8
130.27669	1.7
131.08588	6.1
133.10121	5.5
135.04422	4.4
135.08054	7.9
135.11703	20.9
137.09676	3.3
137.13263	13.2
145.10141	4.9
147.11728	10.1
149.09612	2.4
149.13284	5.8
151.11171	2.0
151.14838	5.4
153.05415	2.3
153.09087	8.0
153.12767	14.0
157.12286	2.0
158.15407	2.0
159.11682	2.1
161.09625	8.6
161.13280	5.2
163.11227	1.9
163.14836	4.8
165.12749	2.8
171.10278	2.5
173.11752	4.5
173.13287	6.2
175.14890	3.7
177.16389	3.0
179.14351	3.2
181.12289	3.2
183.14023	2.0
187.14845	3.4
191.14389	2.4
193.15929	2.3
195.13860	2.6
201.16466	1.8
203.12804	19.1
209.11705	7.9
209.15416	3.8
223.16969	2.6
233.22708	4.4
237.11217	6.8
243.21114	10.5
255.12300	3.0
261.22147	29.1
270.27921	15.1
279.23196	100.0
293.24759	5.0
311.16449	4.1
311.25946	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	311.2945
Annotation	ent-8alpha,15-Labdanediol
Peak:m/z	Relative Intensity
53.03940	1.6
53.34348	1.2
55.01868	2.1
55.05511	41.1
56.93526	1.2
56.96572	1.3
57.07078	34.2
65.03949	2.0
67.05508	30.0
69.07071	78.3
69.77690	2.1
69.78105	5.5
71.04991	4.9
71.08633	20.2
76.70804	1.2
79.05496	15.0
81.07059	100.0
83.04987	4.6
83.08619	46.5
85.06547	4.7
85.10179	9.6
91.05455	7.7
93.06483	2.3
93.07046	32.9
95.04985	2.6
95.08611	81.3
97.06530	11.7
97.10174	31.2
99.08089	2.4
99.12894	1.4
105.07057	4.4
107.08597	31.5
109.06519	2.7
109.10160	50.0
111.04448	2.9
111.08093	9.9
111.11718	19.4
113.08698	1.3
113.09676	2.1
115.07544	2.0
121.06421	1.4
121.10153	22.1
123.11721	26.9
125.09620	3.0
125.13289	7.7
133.10123	1.8
135.11703	18.1
137.13232	7.0
139.11278	1.6
149.13264	38.3
151.14825	3.3
156.22662	1.3
159.11642	1.9
163.11137	1.7
163.14822	12.8
165.16389	4.7
177.16406	3.3
179.17863	1.9
191.10605	2.4
191.18042	1.9
193.19444	1.9
205.19527	2.8
209.11720	15.5
219.21059	3.3
237.11267	10.6
255.12349	4.6
275.20071	2.9
275.27310	12.1
293.17554	2.3
293.21063	2.5
293.28381	9.6
311.24725	1.9
311.29425	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	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03940	0.8
55.01872	0.8
55.05513	39.4
57.03440	16.7
57.06802	1.0
57.07078	19.6
67.05504	6.9
69.07070	44.0
69.52170	3.4
71.04985	0.7
71.08635	12.6
73.02924	0.7
75.99675	0.6
79.05495	4.6
81.07056	9.5
83.04967	1.5
83.08622	37.2
85.10183	3.8
86.21284	0.5
91.05488	0.6
93.07053	5.5
95.08618	7.5
97.06536	4.2
97.10175	25.6
98.21499	0.9
98.37601	0.5
99.08115	0.7
107.08607	4.9
109.10151	2.9
111.08053	1.5
111.11723	8.8
121.10143	6.0
123.11704	1.8
125.09610	1.5
125.13249	1.4
129.05498	0.5
135.11700	3.5
137.13257	1.3
139.11174	1.5
141.20766	0.5
149.13303	3.0
163.14862	0.9
164.44022	0.5
209.11737	1.7
219.21117	1.5
237.11214	1.0
237.22250	1.1
311.25806	100.0
312.25909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.19403	2.9
55.01865	8.5
55.05268	5.1
55.05511	56.7
57.03436	6.6
57.07076	25.6
63.92830	2.9
67.05503	67.2
69.03404	6.8
69.06724	4.6
69.07069	58.8
71.04953	5.5
71.08641	14.1
79.05487	38.7
81.06597	5.6
81.07055	88.1
83.04981	10.1
83.08623	37.1
85.06530	10.8
86.55115	3.0
91.05474	7.3
93.07036	35.9
95.04946	6.0
95.07993	3.4
95.08604	64.5
97.06498	12.8
97.10173	47.7
98.20716	6.0
99.08081	7.5
105.07039	14.3
107.08591	41.3
109.10156	54.2
111.04400	7.7
111.08044	4.1
111.11691	5.0
113.09631	4.0
117.06970	7.9
118.68316	2.7
119.08595	4.8
121.10149	17.4
123.11720	16.4
125.09638	37.6
131.08557	8.4
133.10112	7.2
135.04433	21.6
135.08047	7.5
135.11691	26.4
137.13264	16.2
145.10129	7.0
147.11703	6.1
149.13191	8.1
151.14787	4.0
153.05435	6.8
153.09143	4.6
153.12764	14.2
161.09639	27.7
161.13338	3.8
163.11143	3.7
163.14868	5.3
173.11760	5.0
173.13216	6.9
175.07118	2.7
175.14882	3.5
177.12723	5.0
177.16386	6.2
177.68321	2.8
179.14201	4.2
181.12187	4.7
187.14862	5.4
191.10712	3.2
203.12785	24.1
209.11716	32.4
209.15189	4.1
223.16959	4.0
237.11205	23.6
243.20972	14.9
255.12276	7.3
261.22150	29.4
270.27951	29.5
279.23178	100.0
293.24823	6.6
311.16397	20.8
311.25858	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.02398	2.5
53.03956	5.9
55.01866	13.8
55.05511	36.0
57.03438	6.1
57.07074	13.5
67.05508	73.5
69.03430	5.1
69.07071	35.8
70.95096	4.4
70.95440	2.4
71.04980	9.8
71.08622	6.2
79.05494	42.3
81.03407	8.3
81.07055	76.6
83.04984	18.8
83.08616	23.2
85.06541	12.8
85.10179	4.1
87.21261	2.9
88.88635	2.5
91.05476	35.2
93.07043	44.6
95.04985	20.7
95.08602	48.2
97.02888	3.5
97.06531	11.3
97.10174	5.9
99.04436	5.8
99.08080	5.0
105.07034	49.7
107.04957	10.0
107.08598	49.5
109.06522	9.6
109.10154	69.1
111.04450	13.4
111.08084	6.9
113.09632	6.2
117.07014	10.9
119.08578	19.3
121.06503	5.9
121.10138	15.3
123.04371	2.6
123.08068	13.1
123.11720	17.8
125.05971	4.0
125.09631	9.7
127.07527	2.8
129.06889	2.7
131.08586	16.8
133.06425	2.6
133.10136	68.6
135.04424	46.7
135.08051	3.8
135.11700	15.7
137.09590	13.6
141.09102	3.3
143.08594	2.7
145.10124	16.8
147.11662	7.1
148.88206	2.3
149.09633	11.3
149.13258	9.4
151.11197	46.2
153.12762	4.7
157.10129	3.7
159.11667	7.7
161.09604	26.4
163.11194	11.7
163.14830	4.4
165.09131	4.3
165.12721	4.8
167.10645	4.0
169.12212	12.7
173.13278	4.4
177.12773	6.4
179.10770	4.6
181.12247	4.4
187.11121	3.6
191.10677	2.5
191.14246	3.5
193.12224	2.7
195.13812	4.4
205.12247	3.3
209.11664	17.0
215.12772	4.2
219.13788	2.9
223.13348	4.6
229.19539	6.0
237.11186	10.6
239.18063	4.4
247.20474	16.4
251.20076	2.9
255.12569	3.0
257.19009	11.6
260.85318	2.3
265.21649	4.3
275.20053	77.3
293.21109	100.0
311.16284	2.5
311.22693	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45702	3.5
53.03950	5.8
55.01868	6.8
55.05519	34.5
56.33231	4.0
57.03440	10.6
57.07085	24.1
67.05222	4.4
67.05510	42.8
67.56282	3.8
69.07076	68.0
71.04971	5.7
71.08645	9.1
71.46838	6.7
72.08195	4.4
79.05497	23.4
81.03432	9.2
81.07053	51.7
83.04971	7.3
83.08628	28.5
91.05489	49.1
93.06490	6.6
93.07049	97.9
93.44809	4.7
95.04973	61.3
95.08611	100.0
97.06541	31.6
97.10158	18.9
105.07042	82.5
105.07720	3.0
107.08595	55.8
109.06515	14.5
109.10161	36.2
111.04418	7.1
111.08054	4.7
111.11714	6.4
112.31726	3.6
117.07031	15.7
119.08587	81.5
121.06507	17.3
121.10152	59.4
123.08067	16.2
123.11742	21.1
128.06247	5.4
130.07820	5.4
131.08580	30.7
133.10141	39.1
135.04417	15.4
135.08044	17.2
135.11713	24.1
142.07738	10.1
143.08575	9.7
145.10136	42.5
146.70625	4.0
147.11687	27.3
149.09705	4.7
149.13277	7.4
155.08580	7.1
157.10152	23.8
159.11696	43.7
161.09659	20.0
161.13254	13.6
163.11214	5.7
163.14848	6.6
169.10127	8.8
170.10945	5.1
171.11702	17.2
173.13239	16.1
175.14844	10.0
177.16365	21.4
181.10144	9.8
183.11685	7.2
185.13298	7.4
187.14867	8.3
189.16403	19.2
197.13277	9.8
199.14867	4.8
201.16447	15.7
203.17982	5.1
209.11694	25.0
209.13394	5.0
211.14850	6.8
213.16415	6.8
215.18030	8.7
219.17479	8.0
223.14790	6.8
237.11124	20.9
237.16417	9.1
255.12335	8.5
255.21078	4.3
293.22626	7.5
311.12860	7.1
311.16251	6.6
311.23599	29.4
311.26123	21.6
311.31299	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	311.149
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
53.03939	4.6
55.01853	1.6
55.05524	5.4
56.96548	1.1
57.03429	3.5
59.71089	1.0
61.02932	1.1
67.05493	3.4
69.03435	24.4
70.65794	1.1
70.66125	2.5
71.04999	1.8
72.03413	1.1
73.02896	2.8
74.33437	1.2
75.04485	1.0
79.05497	29.1
81.03417	28.8
81.06631	1.0
81.07060	5.9
81.67835	1.0
83.01316	1.1
85.02911	16.4
87.04459	1.6
91.04917	1.1
91.05482	22.4
91.38853	1.0
93.07048	87.0
95.04967	3.4
95.08610	3.3
95.64579	1.0
97.02893	7.5
99.04443	4.2
103.05454	1.8
105.04526	1.2
105.06403	1.9
105.07034	20.0
106.07818	2.3
107.04933	2.2
107.08596	17.5
109.02872	11.4
109.06512	2.4
111.04464	1.6
111.08099	1.8
116.06288	2.4
119.08587	11.9
121.06504	4.0
121.10147	100.0
123.08066	1.8
123.11734	1.5
127.03957	4.8
129.07016	2.4
131.08588	12.7
133.07571	2.5
133.10149	3.6
134.33870	1.0
135.04375	1.8
137.05965	3.9
139.11169	3.5
145.04935	1.3
145.10086	1.8
147.04495	1.4
149.02356	4.4
149.09630	48.2
163.03941	4.9
164.04228	1.5
165.04385	1.5
167.10689	7.5
219.08014	1.3
228.54916	0.9
247.07344	1.0
251.10690	2.2
279.10196	2.2
293.13867	16.3
311.05624	1.6
311.09323	1.5
311.12219	2.2
311.14975	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.66785	2.7
53.03935	5.3
55.01619	3.3
55.01865	5.6
55.05510	33.5
56.96558	10.1
57.03438	28.9
57.07074	12.3
59.68287	2.7
65.03942	3.1
67.05181	5.0
67.05508	65.3
69.03438	6.9
69.07071	48.9
69.47829	17.8
71.04998	24.9
73.06549	4.6
79.05505	46.3
81.03430	5.0
81.07059	72.6
83.04995	16.5
83.08618	11.8
85.06539	8.5
86.26061	3.0
91.05485	44.1
93.06492	5.0
93.07049	78.3
95.04962	11.0
95.08611	56.5
96.03801	3.6
97.06541	19.2
97.10159	20.5
99.08093	7.6
105.07032	30.0
107.04959	5.4
107.08596	40.6
109.06513	13.5
109.10160	25.8
111.04471	7.9
111.08087	20.1
115.07550	4.4
117.06994	16.7
119.08588	35.0
121.10142	48.4
123.08067	13.2
123.11742	5.4
125.09641	11.5
129.07005	4.0
131.08582	24.4
133.10156	22.0
135.08110	3.8
135.11710	10.0
137.09607	8.6
139.11194	26.5
143.08595	3.4
145.10097	20.4
147.08081	4.0
147.11676	16.5
149.09650	14.9
149.13232	4.3
153.05479	8.9
157.10085	4.1
159.11684	15.3
161.09641	3.6
161.13280	8.3
163.11139	6.7
167.10626	7.5
171.11711	7.4
173.13287	8.7
175.14841	4.7
177.12727	3.0
180.73631	3.0
181.12338	3.2
183.11575	3.6
185.11824	3.4
185.13269	9.8
187.14766	5.3
189.11168	5.6
189.12817	3.2
201.16515	6.4
203.12788	33.8
203.14417	4.6
209.11745	27.3
209.15295	3.3
215.05968	6.1
218.88177	3.4
219.17476	10.0
221.15332	11.3
229.19534	5.1
237.11182	25.9
239.18024	4.4
245.64900	4.9
255.12328	10.0
257.19049	18.6
270.13788	16.3
275.20053	100.0
279.14383	7.8
288.14838	11.7
293.21121	35.9
299.65872	3.8
311.24429	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	311.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.05515	29.9
56.96557	14.2
57.03433	7.3
57.07074	31.4
66.66905	4.3
67.05509	64.2
69.03433	27.1
69.07071	32.7
71.02438	3.3
71.04987	4.3
71.08646	4.3
71.56081	7.2
79.05500	45.8
81.03423	7.0
81.07059	100.0
83.04977	8.2
83.08616	19.2
85.02922	6.8
85.06565	8.4
91.05483	40.7
93.07036	48.9
95.04973	8.9
95.08063	5.9
95.08607	49.6
97.06538	14.1
97.10177	6.1
99.08119	4.9
100.40287	3.6
105.07038	48.1
107.04942	8.2
107.08600	37.4
109.06543	16.0
109.10175	36.6
111.04449	17.5
111.06232	3.7
111.08065	4.3
114.55448	3.8
117.07014	9.3
119.08579	38.2
121.06507	6.8
121.10147	22.9
123.08073	8.0
123.11722	16.5
123.13766	4.0
125.05984	8.9
125.09612	5.1
131.08603	17.4
133.10147	47.1
135.08072	9.0
135.11685	11.0
137.09622	4.6
143.08597	9.1
145.10121	19.6
147.11682	22.4
149.09595	13.1
149.13333	6.9
151.11172	9.0
153.05467	19.0
157.10181	7.7
159.11676	18.3
161.09650	5.5
161.13275	8.5
163.11229	12.2
167.67822	3.6
169.10155	7.5
171.11662	6.5
173.13306	9.2
175.14844	4.2
181.12206	6.5
185.01050	3.9
185.13266	6.7
191.10687	9.4
193.12314	4.9
201.16501	4.3
209.11737	98.3
211.14862	4.7
229.19574	4.1
235.17009	25.2
237.11224	77.3
239.17947	8.9
247.20615	6.4
255.12230	20.6
257.19046	15.4
262.14038	4.0
263.19809	4.0
265.21637	6.1
270.13681	4.8
275.20090	87.9
293.17529	10.4
293.21140	47.9
311.12918	4.7
311.19687	12.0
311.24207	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	311.2218
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03932	0.6
53.08825	0.6
55.01870	1.2
55.05511	10.0
56.96551	0.6
57.03422	0.8
57.07076	5.5
59.04978	0.8
67.05511	6.3
69.03425	1.2
69.07069	5.3
71.04978	0.5
71.08633	7.2
71.55070	0.6
73.34132	0.5
79.05158	0.4
79.05499	4.5
81.03390	0.8
81.07066	7.1
83.04961	3.0
83.08615	4.7
91.05484	2.7
93.07063	3.7
95.04969	2.7
95.08628	3.2
97.06537	1.5
97.10175	8.9
99.08088	4.5
105.07008	2.5
107.04939	2.4
107.08618	3.6
107.50659	0.5
108.05728	0.9
109.06496	1.4
109.10159	1.7
111.04433	4.0
111.08118	0.8
111.76854	0.5
117.07055	0.6
119.08566	1.3
121.06534	4.1
121.10173	1.2
125.05986	1.3
125.09627	5.1
131.08562	1.5
133.10149	1.1
135.08070	0.8
135.11684	1.3
145.10068	1.1
149.09615	0.9
151.11171	1.5
153.05508	3.3
157.10120	0.6
159.11690	1.0
163.11237	1.2
164.11925	0.9
165.12769	0.9
177.12773	1.4
181.04973	1.0
181.12273	1.4
189.11243	2.8
191.10629	1.6
209.11737	19.4
211.13347	1.0
215.18170	0.5
221.12375	0.5
237.11237	16.6
242.13391	0.6
247.20622	1.0
255.12291	5.4
257.19052	0.9
259.98917	0.5
275.20102	4.4
282.81750	0.6
293.21112	100.0
294.21619	0.9
311.18713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96494	0.7
57.03428	2.2
57.07077	4.0
57.07307	0.6
59.66705	0.7
61.02934	3.5
62.54046	0.6
67.05502	6.2
69.03435	6.5
69.93046	3.6
71.04987	3.7
73.02905	1.6
75.67007	0.6
76.43031	0.6
81.03419	1.8
85.02908	35.3
85.06559	3.7
87.04509	0.7
90.44360	0.7
91.03941	1.8
95.04975	11.5
97.02895	9.1
99.04469	0.9
109.02899	3.5
113.05397	0.6
113.06010	31.7
127.03925	7.7
131.07050	100.0
133.95132	0.7
142.06082	0.8
145.04971	17.6
145.62398	0.7
163.06076	6.3
226.28679	0.7
271.35962	0.7
293.12314	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	1.0
55.05481	1.5
56.96555	0.6
57.07054	0.8
57.96027	0.4
67.05476	1.4
69.07051	1.9
71.56118	0.8
79.05466	1.9
81.07038	2.0
83.04951	0.8
83.08585	0.9
84.20657	0.5
91.05470	0.8
93.07032	1.0
95.08589	1.8
97.06506	1.8
97.10144	0.8
98.70857	0.6
105.07005	0.4
107.08572	2.0
109.10126	1.3
109.30576	0.5
121.10127	0.7
123.11729	0.5
123.45750	0.5
125.09608	1.4
131.08533	0.6
137.06042	1.2
141.06984	0.8
153.06918	0.8
159.08028	0.5
163.03918	1.3
163.11212	0.5
165.04466	0.7
165.07014	2.6
166.07777	2.0
173.13419	0.5
176.06210	1.2
177.07014	3.2
178.07767	9.7
179.08524	4.6
181.06403	0.9
187.07555	0.8
189.06937	3.8
190.07755	7.2
191.08551	100.0
192.09326	16.0
193.10124	10.7
194.07243	3.1
195.08034	1.5
205.06464	23.6
207.08008	0.8
207.11649	3.1
208.08885	1.8
209.09639	6.2
215.07037	1.5
218.07320	4.1
219.08047	30.9
220.08763	0.8
221.09560	0.7
222.06650	0.7
223.11156	3.4
233.09576	1.2
236.08298	1.4
237.09096	13.5
247.07549	2.6
251.10664	47.2
252.11382	1.6
275.20239	1.2
278.09418	1.0
279.10150	19.5
283.13266	1.1
293.21161	0.9
311.12787	22.1
311.20059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90030	0.5
51.13755	0.5
55.05499	2.4
57.07056	1.0
59.04971	0.6
67.05495	2.8
67.48013	0.5
69.07074	4.1
69.39290	3.9
73.42757	0.6
79.05495	3.0
81.07054	5.4
83.08601	2.5
85.06517	1.2
91.05473	1.5
93.07040	2.7
95.08614	4.4
97.02886	0.7
97.06516	3.1
97.10141	1.2
100.11232	1.5
105.07024	1.6
107.04933	0.6
107.08600	2.5
109.10155	2.4
111.11745	0.8
119.08570	1.3
121.10160	1.5
122.03647	0.8
123.11690	1.3
125.09630	0.6
131.08556	1.0
133.10089	1.0
135.11697	1.0
137.05971	7.3
137.13234	0.6
142.07806	0.6
145.10124	1.0
147.11716	0.6
149.05951	0.5
149.09570	1.3
149.13252	0.6
151.14726	0.7
157.10178	0.7
159.07976	0.6
163.03931	1.4
163.11198	0.5
164.04208	1.1
165.04419	1.2
165.07019	3.1
166.07776	1.7
167.08487	1.1
169.09959	0.6
176.06160	0.8
177.07016	2.6
178.07793	9.2
179.08542	4.6
181.06537	0.8
182.15302	0.6
187.07481	2.5
189.06998	4.2
190.07770	8.2
191.08556	100.0
191.64856	0.5
192.09329	13.8
193.10132	9.0
194.07266	2.1
195.08020	1.8
205.06459	20.1
207.08038	0.7
207.11647	2.4
208.08797	1.7
209.09647	6.8
218.07253	4.9
219.08047	33.1
220.08916	0.6
221.09537	0.7
222.06721	0.8
223.11220	3.2
233.09663	1.3
235.07497	0.6
236.08339	1.7
237.09105	16.4
237.11388	1.1
247.07579	3.7
251.10672	48.6
252.11299	2.1
273.17825	0.5
275.20142	2.6
278.09183	1.2
279.10150	21.3
281.08142	0.7
283.13300	1.7
293.21115	0.8
293.28296	1.2
296.10425	0.6
311.12766	23.3
311.20020	1.1
311.29489	1.2
312.12643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.7
55.05507	1.7
56.96584	1.4
57.03442	1.3
57.07073	1.3
61.44659	0.8
65.44930	0.7
67.05504	3.8
69.03426	1.3
69.07070	4.3
71.55672	1.4
71.56031	0.8
79.05507	3.7
81.03387	1.0
81.07053	6.9
83.05013	1.0
83.08625	1.6
85.02905	1.4
85.06568	1.0
91.05484	3.8
93.07047	5.9
95.04985	1.2
95.08617	4.4
97.02895	0.8
97.06521	3.9
97.10146	1.2
98.59875	0.8
98.97623	2.1
105.07027	3.9
107.04952	1.5
107.08622	2.6
109.02863	0.9
109.06586	1.1
109.10204	2.9
114.66189	0.8
119.08618	1.7
120.08115	4.8
121.10132	4.0
123.08079	0.9
123.11728	1.7
129.07094	1.1
131.08607	2.0
133.10173	0.9
135.04459	0.9
137.05986	7.7
141.07027	0.9
145.10226	1.5
147.04509	0.9
149.09666	1.6
161.05972	1.5
163.03960	1.0
165.07199	0.9
166.08713	0.9
176.78555	0.8
187.07590	2.9
190.07857	1.2
191.08563	4.6
192.09319	0.9
209.11646	1.1
215.07141	1.1
219.08124	5.5
219.10030	1.1
223.11226	0.9
225.09116	1.1
229.08240	0.9
233.46344	0.9
236.08351	1.4
239.30078	0.8
247.07559	2.7
251.10703	5.3
252.37584	0.9
253.08655	1.0
255.10840	1.2
264.05389	0.9
273.11832	1.4
279.07306	1.1
279.10202	6.0
293.28772	0.9
311.14774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
53.21226	0.6
55.01860	1.5
67.05496	2.2
69.03437	1.8
69.59138	2.2
69.59547	1.7
70.03742	0.6
81.03391	0.6
87.04473	46.2
91.05487	2.4
92.05824	0.9
95.04968	6.6
98.06060	0.7
98.20743	0.7
106.06575	1.5
108.04474	0.9
115.91796	0.6
118.06548	6.4
119.04934	2.7
120.04496	0.6
120.05281	1.5
120.08089	1.1
123.04429	4.1
129.59726	0.6
130.06540	5.4
132.04437	3.4
133.05208	1.4
134.06013	4.4
138.05467	1.5
146.06018	11.1
147.04416	6.9
147.06816	1.3
148.04778	9.1
148.07590	3.1
149.04707	0.8
151.06261	0.6
152.07062	0.9
162.05527	1.3
164.07091	11.2
174.05550	4.7
177.22417	0.6
178.08604	4.6
178.18921	0.6
186.09311	1.0
189.05420	0.7
192.06575	7.9
194.08173	0.8
206.08165	5.6
214.08629	1.7
224.09198	26.4
232.09598	0.8
260.09232	0.9
264.12369	2.8
278.10284	4.0
292.11798	2.4
310.12857	100.0
311.13229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	10.9
55.05526	30.5
57.03419	6.2
57.07076	9.6
59.05016	6.2
67.05507	35.5
69.07076	29.1
71.55419	8.6
79.05502	42.0
81.07071	48.9
83.08626	8.1
91.05486	57.9
93.07046	91.5
95.04969	72.8
95.08624	59.7
97.06519	29.9
97.10216	8.7
98.98451	9.8
105.06397	9.0
105.07036	96.6
107.08614	52.3
109.06532	8.6
109.10161	27.6
117.07016	21.8
119.08596	71.9
121.06520	13.0
121.10163	100.0
121.10976	5.0
123.08061	15.6
128.06201	7.7
129.07025	17.6
130.07777	8.8
130.75215	6.2
131.08565	40.4
133.10133	56.0
135.04416	7.9
135.08073	12.5
135.11697	18.6
142.07797	10.3
143.08577	25.5
144.09312	9.2
145.02907	9.4
145.10155	61.9
147.04474	7.1
147.08089	8.9
147.11697	19.2
155.08609	8.1
156.09389	7.8
157.10165	36.9
159.08113	9.0
159.11746	48.1
161.09610	20.1
161.13263	12.0
163.03908	62.3
164.36485	7.0
169.10231	16.1
171.11751	11.1
173.13272	22.7
175.11214	7.6
175.14786	7.0
182.27608	6.6
183.11717	17.5
185.13249	11.4
187.11247	17.4
187.14876	21.9
195.11647	10.2
197.13206	12.8
199.14874	12.3
209.13280	16.0
221.13252	7.6
225.16406	11.0
225.60905	5.8
235.14990	6.2
237.16409	6.4
245.09709	7.3
253.15996	7.5
273.12610	9.2
309.14746	13.3
309.22107	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	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03934	6.0
55.01846	3.3
55.05515	17.4
56.36461	1.7
57.03419	7.0
57.07054	3.2
60.27983	1.9
62.05687	1.8
62.58887	1.7
63.61492	1.9
65.03928	3.0
67.05188	1.9
67.05510	29.8
69.03423	3.3
69.07069	21.9
71.04979	3.0
77.03928	2.0
79.05084	2.3
79.05497	35.4
81.03394	6.1
81.07062	43.8
83.04948	3.6
83.08601	5.8
83.58872	2.0
91.05484	47.9
93.07046	87.8
93.07642	4.4
95.04384	3.5
95.04973	57.0
95.08613	48.6
97.06532	24.9
103.05452	5.6
105.07037	94.7
107.04955	3.6
107.08596	42.4
109.06529	13.9
109.10153	26.6
115.05452	6.2
117.07025	19.2
119.08588	71.9
121.06502	10.5
121.10150	100.0
123.08073	12.7
123.11700	7.2
128.06224	11.3
129.07022	13.6
130.07768	8.5
131.08577	40.8
132.09367	3.1
133.06523	3.3
133.07585	2.7
133.10130	45.6
135.04419	3.2
135.08029	6.0
135.11699	12.2
141.06998	9.6
142.07806	16.4
143.06807	2.0
143.08566	34.6
144.09344	9.7
145.06503	3.1
145.10127	58.8
147.08049	6.4
147.11700	14.6
149.09648	5.3
149.13231	2.0
153.06992	4.1
154.07802	2.3
155.08594	12.9
156.09348	9.9
157.10156	39.8
158.10919	3.6
159.08018	3.0
159.10466	3.1
159.11705	41.6
161.09613	10.3
161.13292	8.0
163.03923	13.4
167.08559	5.4
168.09267	3.4
169.10138	19.3
170.10930	4.8
171.07997	2.1
171.11693	19.6
172.12421	2.6
173.09663	4.0
173.13268	24.2
175.11209	3.4
175.14851	10.1
179.08542	3.9
181.10085	5.3
182.10924	4.5
183.11687	15.3
185.09753	3.8
185.13255	14.0
187.11191	14.4
187.14816	27.9
189.12721	3.1
189.16464	2.3
193.10161	5.4
194.10938	3.6
195.11732	6.2
196.12465	4.3
197.13252	13.8
199.14836	9.4
201.12805	2.3
201.16364	3.3
205.10031	2.3
207.11624	5.8
209.13152	9.4
211.11073	1.9
211.14806	11.4
213.16315	4.1
215.14375	3.8
217.15889	2.0
221.13263	5.6
223.14832	6.7
225.12946	2.1
225.16414	5.8
229.75781	3.2
229.77937	1.9
235.14859	6.0
237.16351	3.3
239.14360	3.6
239.17995	4.2
249.16263	3.5
253.15891	7.6
253.19507	3.5
265.19550	4.3
281.22586	6.4
291.21078	7.1
309.22116	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01862	0.9
56.96562	0.6
63.06953	0.4
65.03934	0.6
67.05506	3.0
67.33070	0.4
69.03425	1.2
69.28344	3.8
70.06586	1.0
73.02966	0.4
79.05491	0.6
80.49976	0.5
81.03405	1.4
85.02900	0.9
87.04472	47.5
91.05473	1.3
93.05847	0.6
93.07061	0.5
95.04964	6.5
95.08595	0.5
97.02888	0.7
98.97603	1.1
103.05417	0.5
105.07011	0.7
106.06563	1.0
107.04954	0.9
108.04523	0.8
109.88835	0.5
116.98646	0.5
118.06538	6.7
119.04937	1.2
120.04459	1.0
120.05296	0.5
120.08099	1.3
123.04449	3.2
130.06552	4.4
131.04953	0.9
131.08551	0.4
132.04453	3.2
133.05243	2.3
134.06033	4.6
135.11696	0.4
136.07594	0.6
138.05550	0.9
141.41521	0.5
145.50406	0.5
146.06013	10.4
146.07121	0.8
147.04430	2.0
147.06841	1.0
148.04802	2.5
148.07539	3.0
149.04732	0.5
151.06256	0.6
152.07086	1.0
158.99713	0.5
162.05510	1.8
163.03938	0.6
164.04260	0.6
164.07072	11.7
166.08728	0.6
174.05504	5.4
175.03806	0.5
178.08679	4.0
186.09225	0.5
188.07068	0.5
189.05469	1.1
192.06563	9.6
194.08160	1.0
206.08154	4.4
214.08633	2.1
219.01624	0.4
224.09187	25.6
232.09775	0.8
235.59483	0.4
250.11002	0.5
260.09229	1.1
264.12326	2.3
268.11316	0.5
278.10272	3.8
292.11649	2.5
310.12854	100.0
311.13132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03933	6.6
55.01875	22.1
55.05273	2.7
55.05513	35.0
57.03420	6.5
57.07066	2.6
59.14606	1.7
61.45091	2.0
62.56291	1.9
65.03923	3.5
67.05506	78.0
69.03415	7.1
69.07064	31.9
70.79993	2.5
70.80318	3.0
71.04977	9.1
78.00085	2.0
79.05498	52.8
81.03395	5.3
81.07059	91.7
83.01304	5.3
83.04983	17.1
83.08607	14.3
85.06533	8.0
91.05480	54.4
93.07046	59.5
95.04987	13.9
95.08613	36.5
97.02847	3.6
97.06518	9.9
97.10153	7.1
99.04449	5.9
105.07039	60.8
107.04971	15.5
107.08599	50.7
109.02882	2.2
109.06533	12.3
109.10162	74.6
111.04431	6.8
111.08120	9.5
113.05997	2.7
116.06187	2.1
117.07014	8.6
119.08582	24.0
121.06496	16.5
121.10126	15.6
123.04452	2.6
123.08054	5.8
123.11726	13.3
125.06000	3.7
125.09625	3.5
129.06998	6.9
131.08582	20.1
133.06502	13.8
133.10136	100.0
135.08057	10.0
135.11687	13.7
135.82359	2.3
137.05977	3.6
137.09589	5.4
139.07527	9.1
139.11208	3.1
143.08572	10.7
145.10123	16.8
147.08047	15.3
147.11697	11.8
149.09618	8.5
149.13322	3.1
151.11186	47.8
153.09128	3.4
157.10120	6.6
159.08044	4.4
159.11694	7.9
161.09607	16.0
161.13260	4.8
163.11105	6.1
165.09094	2.9
165.12756	2.9
167.10635	4.3
169.12268	12.6
171.11720	9.2
173.13306	3.1
175.11200	9.3
175.14777	2.7
177.09094	3.8
179.10649	6.2
179.14349	3.4
181.08546	5.4
185.13260	4.7
187.11179	3.4
189.12790	6.2
197.11754	2.7
199.11122	2.1
201.12721	2.5
201.88545	1.9
203.14308	7.5
203.96898	2.1
207.13808	2.7
213.12814	2.0
215.12747	4.2
217.12248	4.4
223.13286	2.2
227.17883	4.9
231.13692	2.4
245.19055	21.5
255.17398	7.1
263.20062	23.6
273.18494	55.9
291.19556	90.8
309.20578	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	3.6
55.01878	18.7
55.05304	2.6
55.05516	26.5
57.03438	6.0
57.07058	3.7
59.04998	3.2
59.96663	2.7
65.03922	3.9
67.05509	62.0
69.03432	3.7
69.07069	37.8
69.37209	14.2
69.37624	6.2
70.04095	13.4
71.04980	5.4
79.05070	4.2
79.05498	55.5
81.03407	9.8
81.07063	45.8
83.04973	10.6
83.08636	16.1
85.02898	5.3
89.03908	3.5
91.05491	38.4
93.07050	46.1
95.04962	16.4
95.08609	35.6
97.02868	4.9
97.06558	15.0
97.10162	17.5
98.98547	3.3
99.04441	4.6
105.04461	2.7
105.07049	22.7
107.04961	100.0
107.08604	27.4
109.06499	6.7
109.10154	33.0
110.74370	2.6
111.04462	4.0
111.08061	10.5
117.03394	4.4
117.07043	13.8
119.08585	36.0
120.32880	2.8
121.06533	5.6
121.10148	16.7
123.04417	5.6
123.08061	11.4
125.09663	17.1
129.07027	4.5
131.08571	12.5
133.10149	13.9
133.72714	2.8
135.04420	11.3
135.08057	56.1
135.11667	9.0
137.08757	2.8
137.09641	21.4
139.07542	4.0
143.08559	8.0
145.02853	5.6
145.10136	17.3
147.08031	11.9
147.11674	8.4
149.09636	14.8
151.07463	2.4
155.10663	6.4
157.10172	6.4
159.11691	5.7
161.09662	5.0
161.13153	2.7
163.03938	67.2
163.11130	5.8
165.09160	3.2
171.11665	7.3
173.11800	20.1
175.11172	5.7
181.12180	3.8
189.11217	8.7
190.95546	3.2
193.12172	3.4
195.13812	4.5
211.17429	2.6
213.12457	3.1
226.00215	2.8
227.17903	4.4
237.16284	3.2
243.64613	11.0
244.14861	3.1
254.94777	3.4
255.17621	4.4
263.20013	5.0
273.18506	33.4
291.19562	71.6
309.15497	5.9
309.20538	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03930	4.6
55.01868	14.7
55.05514	26.3
57.03424	2.9
57.07051	3.5
57.65946	2.2
65.03951	2.1
67.05502	56.7
69.03440	5.5
69.07065	24.0
69.33397	10.8
69.33827	8.6
71.04992	7.6
79.05494	35.2
81.03410	3.3
81.07059	78.8
82.29782	2.1
83.01344	3.1
83.04971	16.7
83.08616	11.5
85.06543	9.4
91.05481	46.8
93.07040	43.4
95.04979	12.0
95.08611	24.9
97.06540	6.2
97.10187	3.0
98.21528	3.8
99.04449	5.2
105.07026	50.1
105.07695	3.9
107.04950	9.8
107.08586	46.1
109.06505	14.2
109.10152	76.4
111.04432	7.2
111.08073	7.1
113.06004	5.2
116.00370	2.4
117.03370	4.7
117.07063	6.1
119.04927	2.7
119.08587	15.5
120.53565	2.6
121.06503	10.4
121.10135	7.9
123.04455	5.7
123.08052	6.4
123.11700	13.5
127.07526	2.6
131.08574	13.7
133.06522	4.9
133.10129	100.0
135.04411	11.5
135.08040	8.0
135.11690	9.9
137.05949	3.9
137.09616	3.4
139.07552	5.5
143.08540	5.6
145.02870	9.0
145.10109	7.8
147.08051	8.9
147.11705	4.2
149.09612	7.8
151.11176	67.0
157.10120	5.3
159.11627	5.3
161.09605	10.7
161.13202	4.9
163.03902	75.6
163.11153	4.8
169.12216	17.3
171.11699	5.8
179.10695	4.5
181.08556	3.4
187.59828	2.2
189.12781	2.8
203.10725	2.2
203.14319	2.9
209.11755	3.0
215.12823	7.9
219.01207	2.5
219.88228	2.5
225.31088	2.2
227.17937	2.6
245.19029	13.2
263.20071	13.4
273.18491	37.5
273.21259	2.9
291.08612	3.5
291.19537	66.9
309.20541	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.63567	0.4
53.03938	1.0
53.94025	0.4
55.01871	3.7
55.05515	20.2
57.03425	1.2
57.07076	0.5
57.79967	0.4
59.04998	0.7
65.03917	0.4
67.05182	0.7
67.05508	9.6
68.50634	0.4
69.03436	3.6
69.07072	10.0
69.33300	3.5
71.05003	0.8
71.08622	0.5
79.05495	12.8
81.03429	2.5
81.06587	0.8
81.07059	13.2
83.05000	2.9
83.08159	0.5
83.08624	10.4
85.02879	0.4
85.06574	0.7
91.05479	7.2
93.07044	9.1
95.01320	0.9
95.04980	4.4
95.08611	6.8
97.02892	1.3
97.06516	1.2
97.10171	15.5
103.05463	0.6
105.07031	6.5
107.04974	2.8
107.08601	7.7
109.02843	0.5
109.06504	1.2
109.10153	2.8
111.04446	1.3
111.08076	1.6
117.07049	3.3
119.04938	0.8
119.08590	6.6
121.06503	1.5
121.10139	3.0
123.04421	0.7
123.08083	5.2
123.11705	0.8
125.09634	12.8
129.06998	1.3
131.08571	3.4
133.06490	1.6
133.10139	3.1
134.07263	0.6
135.04198	0.5
135.08064	2.5
135.11688	1.4
137.09601	1.7
141.06935	0.4
143.08556	1.7
143.10631	0.6
145.10106	3.9
147.08101	2.9
147.11697	2.1
149.09634	1.4
149.13187	0.4
151.11188	0.7
153.09091	0.8
155.08603	0.4
157.10147	1.5
159.11713	1.0
161.09608	1.5
162.10432	0.9
163.03876	0.5
163.11226	1.4
163.14799	0.5
165.09134	2.7
169.10107	0.7
169.12238	0.5
171.10225	0.9
171.11676	0.9
173.13239	0.4
175.11165	1.5
181.12320	0.5
185.13289	0.5
187.11055	0.5
189.11244	6.4
189.12849	0.3
193.12282	0.9
193.79890	0.5
195.11693	0.4
199.11192	0.6
203.14395	0.5
205.12178	0.6
206.26176	0.5
207.13885	0.5
212.56331	0.4
213.12759	0.6
221.11725	0.9
223.13286	6.1
227.12790	1.0
227.18015	0.6
235.13240	0.4
237.16399	0.8
245.19090	1.1
249.14871	1.0
255.17474	1.2
262.15643	0.5
263.19986	0.5
273.18512	9.2
291.19553	100.0
292.19861	0.9
309.20416	3.8
332.27820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03952	11.0
55.01859	8.9
55.05514	49.1
57.03433	11.7
65.03920	1.9
67.05507	39.4
69.03420	7.8
69.07069	16.6
71.04977	6.0
71.28828	3.2
74.70132	1.9
77.03922	1.9
79.05495	92.1
81.03426	16.0
81.07053	39.7
83.04977	6.7
83.08615	20.3
85.02897	3.1
85.06541	7.3
89.03885	3.3
91.05485	32.0
93.07046	100.0
95.04976	21.0
95.08620	22.6
97.06532	11.8
97.10178	39.2
99.08103	4.9
105.04513	2.3
105.07030	21.8
107.04965	12.9
107.08600	21.4
109.06512	12.6
109.10141	6.9
111.04461	1.9
111.08090	4.4
113.06010	31.7
114.65556	1.6
117.03394	2.7
117.07021	10.7
119.04886	2.2
119.08607	15.7
121.06525	8.9
121.10159	39.8
123.04441	2.2
123.08069	23.6
123.11681	3.1
124.62195	1.7
125.09634	31.8
127.07575	2.0
129.07016	4.1
131.08565	11.5
133.06480	1.8
133.10143	7.7
135.04414	8.8
135.08031	11.5
135.11723	10.9
137.09665	2.7
137.69540	1.8
141.07016	2.0
143.08588	5.6
143.83395	1.7
145.02847	9.0
145.06509	2.3
145.10112	7.3
147.04414	2.8
147.08005	3.1
147.11697	6.0
149.09641	5.2
149.13242	4.0
153.09102	3.4
157.10143	4.2
159.08070	2.4
159.11656	7.2
161.09630	4.2
161.13205	2.6
163.03920	57.7
163.11154	2.5
165.12744	2.5
169.10097	2.1
169.12282	2.0
171.10196	6.5
171.11617	3.0
173.09567	1.7
173.13251	1.9
175.11285	2.6
177.12784	2.6
182.10791	1.8
187.11154	4.8
189.11217	27.5
189.12744	3.4
199.14807	3.0
205.12209	3.5
217.05014	2.1
217.15988	4.7
221.15382	6.6
223.13268	22.1
227.17957	2.0
241.14359	2.6
245.18994	2.2
251.16096	1.8
255.17380	4.1
263.20071	3.2
273.18509	18.4
291.08521	1.8
291.19553	49.5
309.20566	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	309.2062
Annotation	Soraphen O
Peak:m/z	Relative Intensity
50.66735	1.7
53.03936	5.8
55.01867	9.4
55.05511	26.6
56.96545	3.6
57.03441	41.0
57.07082	3.1
65.03938	5.0
67.05506	60.6
69.03418	8.1
69.07067	33.4
71.05006	15.2
75.04494	2.2
79.05497	55.8
80.88942	2.1
81.03403	8.5
81.07057	100.0
83.04982	10.3
83.08624	19.2
85.02918	4.8
85.06525	13.6
89.03920	4.6
91.05480	46.8
93.07042	60.0
95.04970	22.1
95.08608	57.5
97.02862	4.1
97.06541	35.7
97.10168	10.6
98.98450	2.5
99.04420	2.9
99.08096	21.5
103.05465	2.8
105.07032	41.5
107.04961	15.3
107.08590	41.9
109.06522	19.4
109.10159	26.5
111.04464	3.5
111.08069	5.9
111.11729	2.4
113.06010	9.4
115.05430	2.2
115.07568	3.1
117.03433	3.9
117.07014	25.8
117.79053	1.9
119.04961	5.6
119.08589	34.2
121.02874	2.8
121.06502	11.2
121.10140	25.0
123.08052	11.8
123.11697	13.2
125.05976	2.7
125.09619	6.0
127.07529	7.0
128.06192	2.1
129.07001	10.8
131.08582	26.6
133.06476	5.1
133.10147	29.0
135.04388	7.3
135.08035	16.4
135.11684	15.1
137.09583	6.0
137.13258	4.8
139.11188	2.2
141.07021	2.5
142.07762	2.6
143.08591	13.6
145.02821	8.5
145.06438	2.6
145.10130	22.9
147.04419	13.7
147.08052	9.4
147.11670	12.8
149.09602	9.1
149.13258	11.9
151.11197	4.4
154.07637	2.2
155.01109	2.4
155.08620	3.3
157.10104	7.6
159.11684	15.2
161.09622	9.0
161.13237	6.9
163.03915	57.8
163.11177	6.9
163.14868	3.6
171.11700	8.6
173.09631	2.8
173.11879	2.5
173.13202	10.5
175.11142	6.7
175.14774	2.5
175.77345	2.1
179.10690	3.0
183.11687	4.0
185.13240	4.5
187.11180	3.5
189.12698	3.1
189.16463	3.1
191.14241	4.9
193.12183	2.2
195.13820	4.2
199.14841	8.0
201.12729	7.9
205.12241	3.0
207.13811	3.8
211.14720	3.2
217.15860	26.0
219.13824	9.9
221.15320	5.5
223.13313	4.4
227.17894	5.6
233.15440	4.6
235.13206	2.8
235.16910	6.1
239.54248	2.1
242.58623	2.6
245.18996	6.4
249.14708	2.8
251.16479	7.4
255.17407	8.8
260.06860	1.9
263.20090	8.0
273.18503	36.8
286.10547	2.2
291.08438	2.2
291.19528	57.2
291.26828	4.3
309.10825	3.0
309.17383	3.7
309.20593	26.2
309.27972	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	309.2058
Annotation	Soraphen O
Peak:m/z	Relative Intensity
50.42642	0.6
53.02016	0.7
53.03936	1.3
54.34075	0.6
55.01872	4.8
55.05513	4.6
57.03437	32.7
57.07064	1.7
65.03951	1.8
66.29928	0.8
67.05508	28.7
69.03429	1.9
69.07063	2.7
69.58619	4.2
71.04983	2.3
72.17322	0.7
72.28165	0.7
79.04514	0.7
79.05493	15.7
81.03432	0.9
81.07067	9.6
83.04974	2.1
83.08630	2.8
85.06547	32.5
89.03915	1.0
91.05485	11.5
93.07040	11.4
95.04973	37.8
95.08610	6.8
97.06532	1.4
99.04460	0.8
99.08129	0.9
105.07038	8.6
107.04938	3.8
107.08601	8.7
109.06522	37.6
109.10163	2.0
111.04450	0.8
111.08090	1.0
113.06007	100.0
117.03390	3.3
117.07014	6.8
119.08563	6.1
121.06491	0.9
121.10138	4.4
123.08096	1.6
128.06316	0.8
129.06972	4.0
131.08585	7.9
133.06514	0.9
133.10143	3.2
134.23354	0.7
135.04410	2.7
135.08057	29.0
135.11679	3.5
141.07036	1.0
143.08545	4.5
145.02856	2.9
145.06532	0.7
145.10147	4.5
147.04366	0.7
147.08060	2.4
147.11646	2.1
149.09618	3.5
149.13277	1.2
157.10158	4.0
159.08029	1.1
159.11734	3.2
161.09676	4.3
163.03903	21.0
163.11171	1.6
164.04245	0.7
171.11661	2.4
173.13200	1.3
174.79303	0.7
175.11263	1.6
177.12770	2.0
178.80237	0.7
183.11711	1.4
185.13278	1.4
195.13718	0.9
199.14792	3.4
217.04959	0.8
217.15903	11.0
224.08145	1.4
227.18005	1.3
255.17502	2.0
273.18475	15.4
291.08615	1.0
291.19550	47.2
306.80972	0.8
309.20798	2.5
309.25613	0.7
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
53.03934	6.4
55.01859	2.4
55.05518	18.7
56.96570	5.3
57.03433	27.4
57.07066	2.2
59.04985	3.7
65.03939	3.2
67.05508	71.8
69.03415	5.1
69.07070	27.8
69.53931	14.8
71.04969	4.6
79.05496	68.5
81.03412	2.6
81.06596	4.2
81.07059	79.1
83.04975	11.1
83.08633	10.9
85.06530	7.3
87.68102	2.0
90.90389	3.2
91.05484	97.5
93.07043	77.8
95.04994	12.1
95.08610	58.2
97.06515	9.9
97.10152	8.3
99.08101	4.8
101.20592	2.3
103.75809	2.4
105.07031	33.3
107.04970	3.6
107.08591	40.9
109.06507	7.0
109.10164	18.5
111.08022	3.3
111.99527	3.3
116.98441	2.6
117.03359	3.2
117.07016	35.2
119.07707	2.6
119.08575	50.6
121.06518	2.3
121.09338	4.3
121.10149	59.9
123.08064	8.0
123.11736	4.4
125.09624	2.8
128.06216	2.1
129.07008	10.5
130.00548	15.3
131.08562	37.8
133.10138	33.7
135.04408	3.1
135.08072	6.1
135.11644	10.5
137.09612	8.7
139.11174	2.6
143.08554	10.9
145.10127	11.5
147.04359	5.4
147.11661	13.6
149.01251	3.1
157.10132	10.2
159.11641	4.0
161.09413	2.1
161.13219	3.3
163.03894	24.5
171.11705	6.9
171.69019	2.3
173.11784	3.0
173.13251	7.1
175.14803	3.4
178.01636	7.1
179.14267	3.8
185.13289	2.3
189.12694	4.1
189.16393	21.4
199.14798	20.4
201.16393	5.6
207.03262	5.7
217.15886	25.4
219.17438	4.7
224.08005	3.3
235.16928	20.0
268.45236	4.8
277.45779	10.4
288.96521	4.7
291.19495	8.4
309.20584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08205	0.5
53.03936	1.7
55.01880	0.5
55.05509	7.0
56.96548	0.9
57.03431	0.9
67.05515	4.0
69.03429	0.6
69.07060	2.3
71.04992	0.9
71.53565	0.5
71.53922	1.0
79.05498	11.7
81.03412	1.1
81.07063	4.1
83.04990	2.6
83.08607	2.4
85.02905	1.6
89.03413	0.5
89.03887	2.8
91.05482	3.8
93.06494	0.9
93.07050	12.6
95.04978	1.7
95.08604	3.2
97.06531	2.7
97.10164	4.9
98.98461	1.4
105.07028	2.1
107.04960	1.3
107.08569	2.6
109.10152	1.4
109.18669	0.5
111.04433	1.7
114.46268	0.5
117.03396	4.3
117.07077	0.9
117.45093	0.5
119.04973	2.7
119.08585	2.0
121.10162	5.6
123.04421	1.9
123.08051	1.4
123.11669	0.7
125.09661	3.1
129.05478	1.1
131.08551	1.2
135.04404	8.4
135.08009	0.6
137.09618	0.7
139.11151	0.6
143.10704	0.7
145.02841	6.4
145.10196	0.8
147.04410	10.6
147.11671	0.8
153.09169	0.7
155.01016	0.6
158.37856	0.5
158.92691	0.6
161.00529	0.5
161.05943	0.6
161.81264	0.6
163.03906	55.9
189.05473	1.3
189.11209	3.7
217.05046	1.4
220.10463	0.6
223.13242	0.8
291.08609	3.6
291.19614	2.0
309.04230	2.1
309.16742	100.0
310.16910	1.0
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	Soraphen O
Peak:m/z	Relative Intensity
53.03956	14.7
53.29887	1.7
55.01870	12.7
55.05517	17.9
56.96551	2.8
57.03434	23.6
65.03932	4.6
67.05504	56.9
69.03418	7.1
69.07069	21.7
71.04987	16.2
71.26565	2.8
75.04460	1.8
75.29252	1.6
79.05495	49.2
81.03421	41.7
81.07056	77.3
83.04980	14.1
83.08614	9.0
85.02915	2.6
85.06530	6.1
90.45119	1.4
91.05477	42.2
93.06492	3.3
93.07047	51.8
95.01321	2.1
95.04971	23.9
95.08611	46.4
97.06527	27.4
97.10162	4.3
99.04467	2.1
99.08099	10.5
105.07036	31.4
107.04955	24.2
107.08593	29.3
109.02838	2.6
109.06518	30.9
109.10146	18.4
111.04457	11.3
111.08063	7.5
113.05988	5.3
115.05437	2.1
115.07584	3.1
117.07029	22.2
119.04964	3.4
119.08568	22.7
121.06487	8.4
121.10154	22.2
123.04422	3.5
123.08060	18.7
123.11716	3.9
125.09608	2.0
127.07492	3.4
129.07014	7.1
131.08583	20.1
133.06491	3.8
133.10132	21.5
135.04424	3.9
135.08057	23.8
135.11690	16.0
137.09628	3.6
141.06976	4.5
143.08548	6.7
145.02777	3.1
145.06467	8.6
145.10135	15.0
147.04393	9.1
147.08093	3.9
147.11722	7.7
149.09644	10.0
149.13272	8.1
151.11162	5.1
153.09068	2.5
155.00937	1.7
157.10146	7.3
159.08046	3.0
159.11699	11.6
161.09630	7.0
161.13272	2.9
163.03900	30.5
163.11153	3.5
169.10118	6.2
171.11655	5.8
173.13303	4.5
175.11186	4.4
177.12796	8.4
179.10689	2.2
180.64859	1.7
183.11714	3.0
185.13254	3.3
187.11214	9.2
189.16412	2.4
191.14410	1.9
195.13789	5.4
199.14828	5.7
201.12787	3.2
205.12244	4.3
217.15915	16.1
219.13832	2.4
221.15396	5.8
223.13274	4.7
227.18011	2.9
231.07811	2.4
233.15282	3.0
235.16972	3.8
241.14301	6.2
245.18990	4.6
251.16434	4.0
255.17342	5.1
263.20209	3.9
273.18509	21.3
291.19534	100.0
292.19958	1.9
309.10364	1.8
309.20560	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03950	17.4
55.01870	6.9
55.05523	8.1
55.05734	1.4
55.35022	1.3
56.96575	3.0
57.03439	8.4
57.07079	2.5
59.05004	1.4
67.05511	44.6
68.35446	1.4
69.03436	3.1
69.07067	10.3
71.04993	11.7
71.08611	1.8
71.54392	2.8
79.05494	26.3
79.05920	2.6
80.82401	1.4
81.03419	39.2
81.07062	51.0
81.07539	2.6
83.04977	10.1
83.08624	6.5
85.02908	2.6
85.06539	10.1
91.05479	23.3
93.07049	26.0
93.07633	1.9
95.01373	1.6
95.04974	19.1
95.08614	34.6
97.06549	6.9
97.10164	3.8
98.98494	2.1
99.08096	2.3
105.07027	14.8
107.04958	15.0
107.08610	16.8
109.06517	32.6
109.10156	7.3
111.04437	3.0
111.08091	3.2
113.06015	21.9
117.07028	11.8
119.04934	3.5
119.08579	12.1
121.06522	6.9
121.10139	8.0
123.04437	4.0
123.08066	15.7
125.05956	1.5
129.07031	4.1
131.08577	13.3
133.06487	4.5
133.10156	10.4
135.04422	1.7
135.08063	21.5
135.11687	16.4
137.09618	2.6
141.06964	4.8
141.08960	1.5
143.08588	6.6
145.06517	10.0
145.10117	9.4
147.04424	2.2
147.08022	2.0
147.11699	3.6
149.09653	3.7
149.13260	7.0
151.11234	2.1
157.10182	5.8
159.08075	3.8
159.11684	13.3
161.09641	2.9
161.13248	2.5
163.03940	8.7
163.11156	2.0
167.10800	2.3
169.10194	7.2
171.11765	2.9
177.12750	8.7
179.14268	2.4
185.13344	3.1
187.11168	13.6
193.12334	2.1
195.13818	6.0
199.14905	3.0
203.14377	1.9
205.12280	3.6
217.15871	10.5
219.13812	2.4
221.15364	4.6
223.13269	4.1
231.13721	1.9
241.14372	6.4
243.64664	6.7
244.14804	3.0
245.19131	1.9
253.12646	1.7
255.15262	2.0
263.20001	1.8
273.18530	19.6
291.19553	100.0
309.17535	2.1
309.20911	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	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
55.01872	0.2
55.05507	0.8
57.03431	0.5
57.07069	0.4
59.05002	1.3
63.02353	0.3
63.87358	0.1
65.03926	0.2
67.05512	0.8
69.03422	0.3
69.07070	1.6
70.12801	0.1
70.13130	0.5
71.04997	0.3
71.08626	0.2
75.63061	0.1
79.05491	1.2
81.03403	0.2
81.07057	1.9
83.04987	2.4
83.08630	0.6
85.02907	0.9
85.06527	0.2
87.04534	0.1
89.03914	4.1
91.05482	0.7
93.07040	0.8
95.04956	0.2
95.08609	1.4
97.02877	0.2
97.06492	0.2
97.10159	0.2
98.98463	0.2
99.04393	0.1
99.08093	0.4
105.07034	0.4
107.04966	1.9
107.08580	0.7
109.06480	0.1
109.10175	1.0
111.04445	1.7
111.08067	0.5
111.31370	0.1
116.24478	0.1
117.03386	8.0
117.09158	0.3
119.04952	0.5
119.08640	0.3
121.10136	0.6
123.04443	1.3
123.07960	0.1
123.11692	0.7
123.12511	0.1
129.05487	0.9
133.10121	0.3
135.04420	14.9
135.11671	0.3
137.13257	0.3
139.11174	0.3
145.02852	12.7
145.10104	0.2
147.04425	2.8
149.13278	0.3
153.12775	0.2
157.36606	0.1
161.05962	0.1
163.03906	100.0
164.04282	0.3
175.07623	0.2
177.05475	0.5
181.04893	0.2
182.70154	0.1
185.06038	0.2
186.05479	0.3
203.07024	0.3
205.05064	0.3
217.04953	1.9
221.08069	0.2
231.06355	0.1
233.04456	0.6
235.20616	0.2
245.08311	0.2
273.07492	0.4
277.08588	0.2
291.08624	4.6
291.19473	0.2
291.26849	0.4
309.09595	1.4
309.27841	0.5
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
53.03933	1.5
55.01865	2.1
55.05512	5.5
57.03440	10.5
60.12172	0.9
61.02916	1.9
67.05505	7.6
69.03424	2.6
69.07067	3.6
71.01369	1.1
71.04991	23.1
71.31005	1.6
73.02919	3.5
73.06569	1.1
75.04480	12.7
79.05488	6.6
81.03410	1.0
81.07045	8.2
83.04976	7.1
83.08617	1.3
85.02902	100.0
85.06544	1.0
85.86421	1.0
86.35480	0.9
87.04481	2.0
91.05479	4.4
93.07063	6.2
94.13716	0.8
95.04957	2.4
95.08609	4.5
97.02891	4.0
97.06506	1.4
97.10166	1.6
99.04407	1.0
99.08117	1.1
101.06011	1.5
103.03958	2.3
105.07028	3.5
107.08585	2.5
109.02872	1.1
109.06544	1.1
109.10144	2.6
111.04438	3.8
113.06001	1.9
117.03362	2.2
117.07059	1.9
119.08585	3.2
121.10125	3.4
123.04436	1.8
123.08077	1.3
125.09591	1.4
126.35932	0.9
127.03918	3.2
129.05482	22.8
129.06950	1.1
131.08549	2.4
133.10106	2.6
134.03340	0.9
135.04413	5.2
135.08116	1.1
135.11745	1.0
145.02840	2.8
145.04964	1.8
145.10057	1.1
147.04443	2.5
147.06529	16.7
147.11752	1.4
157.10146	1.2
163.03891	27.5
171.06525	1.3
173.13287	0.9
185.05646	0.9
199.14854	1.9
239.25804	0.9
245.70593	1.1
277.08603	1.0
291.08673	1.3
291.19461	2.2
309.05426	1.2
309.11646	1.9
309.17236	1.7
309.20578	6.9
309.25668	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.31530	1.3
53.03945	3.5
54.96788	1.4
55.01867	5.7
55.05278	1.6
55.05513	19.0
55.80602	1.3
56.96300	2.0
56.96566	30.3
57.03428	5.7
57.07084	7.2
57.24726	1.3
59.52845	1.2
61.02944	1.3
65.03944	1.8
66.63976	1.4
67.01851	4.9
67.05141	2.0
67.05507	28.2
69.03435	7.2
69.07069	80.0
70.06599	2.4
71.04987	6.4
71.08620	1.7
71.55737	2.1
73.02905	1.3
79.05491	23.8
81.03413	3.4
81.07057	100.0
83.04986	7.3
83.08632	12.9
85.02906	2.5
85.06538	6.1
91.05488	15.4
93.07046	46.6
95.04967	10.3
95.07990	2.2
95.08610	44.7
97.02882	3.5
97.06530	42.9
97.10156	6.1
98.06894	1.6
98.97584	2.7
99.04453	3.9
99.08104	2.2
103.03913	1.4
103.05466	2.2
105.07035	29.0
107.04971	3.1
107.08596	42.2
109.02853	3.1
109.06539	11.5
109.10159	34.2
111.04441	3.9
111.08082	20.9
111.11734	13.7
117.03412	2.0
117.07020	4.7
118.96590	1.3
119.08583	11.9
121.06532	2.7
121.10149	24.4
123.08103	3.2
123.11705	29.0
123.62630	1.4
124.99103	5.7
125.06010	2.1
125.09655	3.3
127.03882	2.2
129.06985	2.5
131.08583	5.5
132.95772	1.7
133.10126	14.8
135.04442	2.4
135.08073	3.1
135.11737	10.6
137.05957	2.1
137.09608	3.1
137.13258	10.6
139.03870	1.4
139.11162	19.0
142.07793	2.1
143.00156	10.9
143.08551	3.1
144.09341	2.1
145.06473	2.5
145.10124	17.5
147.11681	9.8
149.13223	8.2
151.07602	1.5
151.11192	27.4
151.96796	1.5
152.98602	2.3
153.12711	6.2
154.07788	1.6
155.01091	2.5
159.04428	2.2
159.08092	3.5
159.11710	12.6
161.01180	5.1
161.02351	4.1
161.13246	3.3
163.03912	16.3
163.11157	2.1
163.14828	4.5
164.04268	2.0
165.12762	10.8
167.03619	3.6
167.14302	4.1
169.01735	2.2
169.08661	2.5
169.10103	2.5
169.12209	3.6
170.99654	6.4
171.11723	1.6
173.02350	11.7
173.09618	6.5
173.13293	2.9
174.02724	2.5
175.14833	3.2
176.04123	5.0
177.06868	1.7
177.16350	4.1
178.07762	2.5
179.03468	2.1
181.04953	9.4
181.12263	1.9
185.01224	4.6
187.02730	2.4
187.11188	12.7
187.14743	2.6
189.00740	6.3
189.05513	2.5
189.06946	8.8
189.16304	3.0
190.07785	8.2
191.08563	50.5
191.10306	1.9
191.17957	2.2
192.09216	2.5
205.04997	4.1
205.12218	2.0
213.00716	6.1
215.07033	16.5
215.10629	10.2
216.07463	2.5
219.08086	23.0
222.05473	1.8
223.06078	2.6
227.04573	2.5
229.04890	1.4
231.01791	13.3
236.05162	5.5
236.55446	3.3
245.05804	6.5
245.22935	6.1
245.55983	2.1
247.07587	8.5
249.02853	17.5
249.05304	2.6
250.03209	1.8
251.10678	4.5
254.03677	2.2
254.06291	6.0
259.09668	43.4
260.10037	9.4
265.57098	1.6
267.03870	10.0
267.09045	4.8
271.24197	5.5
272.04407	5.8
275.07016	5.9
277.25363	2.1
279.07019	2.1
279.10107	19.5
285.04947	5.7
285.10071	5.1
289.07513	2.5
289.14484	3.3
289.17953	2.5
289.25220	12.4
290.05490	6.4
293.07840	2.1
307.08063	16.9
307.15277	8.5
307.18912	2.0
307.26404	53.1
308.06467	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89960	0.3
55.05504	0.7
69.46682	2.1
79.05482	0.8
81.07043	0.3
81.26359	0.3
83.04549	0.4
83.04980	3.3
85.02881	0.8
89.03922	4.1
95.08600	0.3
98.20794	0.6
107.04984	1.4
109.10114	0.4
111.04451	2.5
117.03384	7.9
123.04444	2.1
129.05486	1.3
135.04419	15.1
145.02853	12.3
145.03989	0.7
163.03905	100.0
175.07651	0.3
176.65427	0.3
186.05652	0.4
203.07118	0.4
205.05003	0.4
217.04929	2.5
233.04533	0.5
252.47147	0.3
273.07465	0.5
291.08615	6.4
309.09689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67015	0.5
55.01868	0.5
56.05040	2.2
58.06607	4.4
69.07059	0.8
70.06602	0.6
81.07081	0.7
84.04507	21.5
84.08145	100.0
84.14284	0.5
85.02913	0.8
86.06065	6.2
86.09704	6.0
88.03989	1.3
89.07316	0.5
89.26839	0.5
91.05492	1.1
96.04530	0.6
98.09702	0.8
98.97600	0.5
98.98475	1.5
118.06831	0.5
119.04916	0.9
127.07581	0.8
130.08647	2.1
140.03455	0.7
141.13881	5.6
145.05045	0.9
145.06479	0.8
145.08470	0.7
147.04401	1.4
155.01094	0.7
162.09612	0.5
169.13376	9.2
179.08385	0.5
189.05487	1.2
191.08644	0.5
198.11285	1.8
207.06592	0.6
215.13913	34.6
219.08014	0.7
229.21365	0.6
243.17050	55.7
247.07715	0.5
262.11093	3.4
289.12057	0.7
290.06558	0.6
307.09692	3.8
307.12936	2.1
307.16830	26.1
312.04834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03948	5.3
55.01866	18.8
55.05515	42.7
56.96556	11.3
57.03437	98.6
65.03954	5.2
67.05510	70.1
69.07066	18.0
69.47556	9.4
69.47964	20.9
71.04990	5.3
79.05497	51.1
81.03416	8.1
81.07066	61.7
83.04986	93.9
83.08618	9.9
85.06545	6.8
91.04958	7.8
91.05481	56.5
93.07052	60.1
95.04974	22.3
95.08607	45.5
97.06526	11.9
97.10157	4.3
99.04497	7.9
105.07034	42.7
106.56977	4.0
107.04962	95.3
107.08592	40.0
109.05887	5.0
109.06544	34.9
109.10191	20.4
111.04453	52.6
111.08070	8.9
113.06044	4.8
117.07026	24.0
119.04846	5.0
119.08594	40.2
121.06516	19.2
121.10149	17.7
123.08076	7.3
123.11692	5.0
125.05984	12.8
125.09598	5.4
129.07019	9.9
131.08554	27.8
133.06502	13.6
133.10135	30.9
135.08054	31.8
135.11681	11.5
137.05995	46.3
137.09682	7.3
138.06323	24.2
141.06992	8.4
143.08591	9.0
145.06532	10.2
145.10138	20.6
147.08070	17.7
147.11745	12.5
149.06085	8.5
149.09634	15.7
149.13286	7.6
149.17015	4.2
151.07533	5.6
155.08517	9.1
157.10196	7.0
159.08058	17.7
159.11714	15.1
161.09647	18.5
161.13274	5.6
163.11205	10.4
165.12704	6.1
169.10120	7.0
171.11690	10.9
173.09642	6.6
173.13313	12.3
175.11185	9.8
177.09094	10.4
177.12778	28.3
178.13489	10.6
183.11745	5.1
185.13222	6.2
187.11194	6.6
187.14748	8.3
189.12796	5.6
197.13252	5.1
201.16467	4.4
205.15895	16.6
207.98875	4.7
215.14301	11.6
219.07991	4.9
225.16217	5.2
233.15359	49.9
235.14886	5.0
243.17458	17.5
247.20322	3.9
257.19016	4.8
261.18491	48.9
271.17001	36.3
275.20047	23.5
289.17999	100.0
289.21347	7.6
307.15039	7.8
307.19495	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03952	4.6
55.01876	22.2
55.05275	2.4
55.05515	31.6
57.03443	3.1
57.07083	2.4
67.05509	33.9
69.03416	2.0
69.07075	21.8
69.85701	9.0
71.04987	2.4
79.05493	54.2
81.03426	3.5
81.06593	2.6
81.07061	37.4
83.04977	6.6
83.08620	13.3
85.06541	4.3
85.39345	1.7
91.05479	34.4
93.07047	30.9
95.04968	7.2
95.08613	22.9
95.59608	2.1
97.06531	33.8
97.10181	22.5
105.07043	35.2
107.04967	10.9
107.08598	88.0
109.06522	6.4
109.10149	11.8
117.07024	9.5
119.08595	23.7
121.06520	6.0
121.10126	12.8
123.08060	5.6
123.11725	4.7
125.09629	28.5
129.07001	2.5
131.08606	14.5
133.10127	22.1
134.32526	1.9
135.08026	8.9
135.11693	7.6
137.06003	2.5
137.09651	2.6
143.08580	2.8
145.10129	18.2
147.08147	2.0
147.11699	16.1
149.09634	23.5
149.13235	2.5
151.11206	6.8
153.09116	6.1
157.10161	3.1
159.11691	10.2
161.13274	6.2
163.11168	6.9
165.09105	3.2
165.12781	4.5
169.10143	2.1
171.11662	4.8
173.13269	6.1
175.11211	2.3
177.12793	5.1
185.13318	2.3
187.11110	3.3
187.14879	2.3
191.14355	3.9
197.13245	2.0
203.12820	24.1
229.19485	4.5
239.17946	5.5
247.20543	7.2
257.18991	15.2
275.20078	100.0
289.21695	13.0
307.22668	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	19.9
55.01868	29.0
55.05522	26.2
57.03420	3.7
67.05507	47.7
69.03445	3.4
69.06734	3.7
69.07074	42.0
69.84061	14.2
71.05007	3.5
74.76077	2.5
78.36787	2.8
79.05498	42.7
81.03419	34.8
81.07056	74.6
83.04966	12.0
83.08602	8.2
85.06542	5.3
91.05482	54.2
93.07042	50.2
95.01329	4.9
95.04955	19.2
95.08601	35.9
97.06535	56.7
97.10164	15.2
105.07040	66.4
107.04960	34.9
107.08600	30.2
108.51439	2.8
109.06521	4.6
109.10130	10.8
111.08079	7.1
117.07009	16.8
119.08585	34.1
121.06511	5.0
121.10131	11.6
121.69841	2.9
123.08067	6.1
123.11697	4.8
125.09608	16.3
131.08574	21.8
133.10124	40.4
135.08044	8.9
135.11719	15.8
137.09627	3.8
139.07617	3.6
143.08543	4.1
145.10141	15.9
147.11684	15.2
149.09625	24.2
149.13261	9.0
151.11160	5.4
153.09146	4.7
159.11700	25.9
161.13274	4.6
163.11156	6.0
169.10184	7.1
171.11642	5.2
173.13278	4.5
177.12727	17.4
179.14326	17.1
179.34297	3.0
183.72885	2.9
187.11151	11.0
203.12816	8.9
205.12340	6.5
209.15427	6.7
229.19540	4.4
239.17972	4.3
247.20578	4.5
257.19055	11.0
275.20059	100.0
307.22653	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	307.2632
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03946	3.9
55.01880	6.2
55.05511	15.8
55.83759	1.4
56.96301	1.9
56.96571	37.2
57.03439	4.2
57.07066	6.0
59.05005	2.3
65.03925	2.1
67.01854	2.9
67.05182	1.9
67.05511	24.8
69.03438	6.4
69.07072	71.2
70.06596	11.5
71.04992	5.6
71.06930	3.8
71.08622	4.0
71.55910	1.5
72.08169	2.2
73.02917	1.6
79.05499	22.5
81.03419	3.3
81.07062	89.2
83.04977	6.8
83.08623	9.3
84.08157	1.8
85.02899	2.5
85.06568	6.3
88.07629	4.4
89.03924	2.8
89.07973	2.1
91.05486	12.4
93.06483	2.5
93.07052	44.3
93.07641	2.6
93.80791	1.3
95.04984	13.1
95.08000	1.9
95.08607	43.1
97.02898	4.9
97.06535	44.4
97.10155	5.4
98.06880	2.4
98.97583	4.5
98.98508	2.9
99.04449	3.8
101.06016	1.3
101.32694	1.4
102.09152	2.8
105.07034	26.0
107.04974	2.4
107.08599	36.8
109.02882	2.5
109.06512	10.4
109.10164	30.4
111.04446	3.9
111.08084	19.1
111.11732	15.9
116.98581	1.4
117.03338	1.3
117.07003	6.7
119.08599	10.5
121.02904	1.7
121.06530	4.7
121.10155	20.2
123.08065	3.1
123.11710	27.2
124.99107	8.1
125.09624	2.3
127.03876	1.4
128.06183	1.9
129.05417	1.7
131.04872	1.6
131.08572	7.4
132.10187	3.1
133.10141	17.1
135.04396	2.2
135.08078	1.8
135.11705	9.5
137.09612	3.0
137.13246	8.0
139.03888	1.6
139.11179	21.3
141.02322	1.4
143.00197	13.2
143.08583	1.9
145.02823	2.5
145.06509	2.5
145.10129	18.8
146.11765	2.7
147.04495	1.6
147.08070	1.4
147.11668	6.6
149.13277	7.0
151.11198	31.5
151.47528	1.2
152.98529	1.8
153.12740	6.8
155.07066	1.8
157.10167	1.9
159.03214	1.8
159.04417	2.0
159.08041	3.5
159.11714	13.5
161.01245	7.4
161.02388	4.8
161.09586	2.2
161.13235	4.5
163.03920	17.7
163.11171	2.3
163.14821	4.5
164.04300	2.3
165.06992	4.4
165.12714	9.1
167.03598	5.9
167.14339	1.7
167.53848	1.9
169.01762	2.8
169.08763	1.9
169.10161	3.6
169.12236	4.1
170.99686	5.9
171.11748	1.2
173.02315	13.5
173.09616	5.8
173.13219	2.8
174.02686	2.8
174.73619	1.4
175.14803	4.2
176.04170	5.1
176.06252	1.8
177.05598	1.5
177.06982	2.5
177.16360	2.3
178.07790	2.5
179.03429	3.3
179.08586	2.6
181.04991	6.0
185.01266	4.6
187.02779	2.1
187.11186	13.5
187.14857	2.5
189.00728	5.4
189.07036	11.7
189.08676	2.1
189.16449	1.7
190.07805	11.8
191.03487	1.7
191.08569	73.8
191.17870	2.0
192.09254	2.9
193.10104	1.7
200.20078	4.6
201.00674	2.1
201.16377	2.0
201.20490	10.7
202.07903	1.5
203.02303	4.1
205.04930	3.1
205.12274	3.3
207.17387	1.6
209.09650	1.7
213.00755	9.3
215.07077	19.9
215.10600	8.9
215.17917	2.2
216.07405	4.2
219.08069	37.3
219.10135	2.5
220.08794	1.7
227.04617	1.7
231.01764	12.8
233.11742	2.0
233.18962	1.8
236.05156	9.1
236.55386	1.5
244.22807	2.3
245.05801	6.5
245.20674	2.3
245.23048	20.2
245.55975	3.9
246.07082	2.0
247.07561	21.0
249.02908	19.1
249.05348	2.1
250.03233	1.9
251.10753	4.2
254.06273	5.4
256.56473	1.5
259.09677	50.5
260.10016	8.9
261.11023	1.5
261.28098	1.3
263.06897	1.7
267.03955	13.3
267.09000	2.0
271.24124	4.3
272.04532	7.4
275.06989	13.5
277.25211	2.5
279.10178	28.6
285.04874	5.2
285.09970	3.5
289.07605	2.4
289.14380	2.2
289.17804	1.4
289.25232	14.4
290.05368	7.8
293.08112	3.9
307.08786	18.0
307.15338	12.2
307.19080	3.2
307.26587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93979	0.5
60.05492	0.6
61.02935	0.6
62.73136	0.5
67.16746	0.5
71.53568	0.8
76.59770	0.6
78.64496	0.4
85.02905	0.6
94.93047	0.5
101.00908	0.9
104.45522	0.7
107.32822	0.5
119.01957	1.1
133.03401	0.6
143.01987	0.7
157.03561	1.0
163.51982	0.6
163.53365	0.5
194.07079	0.9
194.57230	3.2
195.07127	2.8
202.06021	0.7
216.05803	0.7
223.06631	1.1
307.10190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.87495	0.5
55.05507	0.6
56.96557	0.8
57.03436	0.6
62.79604	0.5
67.05484	0.8
69.03416	0.6
69.07074	0.8
69.38251	0.5
79.05468	1.1
81.07059	2.2
83.08633	0.7
85.02926	0.6
91.05492	1.6
93.07041	2.4
95.08624	1.6
96.08129	0.6
98.97561	0.6
98.98487	0.5
105.07026	0.6
107.08608	1.0
108.08134	0.7
109.02885	1.1
109.06551	0.5
109.10151	0.9
121.10123	0.6
121.26891	0.4
122.06030	2.5
123.06820	1.1
123.76254	0.5
123.80530	0.5
124.07602	7.6
126.05514	0.5
126.09161	3.3
126.95612	0.4
127.03883	0.7
128.98486	0.5
131.08559	0.7
136.07591	54.8
138.09152	50.2
140.07048	1.6
147.80276	0.5
149.13460	0.6
149.14769	0.5
152.05896	0.9
152.07086	15.6
155.01048	0.6
159.11665	0.6
164.07085	100.0
165.07411	0.7
170.08139	5.1
182.08150	25.2
191.08397	0.8
247.07755	0.5
259.09848	0.6
268.00418	0.5
275.06982	0.7
289.15454	5.7
307.09671	0.7
307.12872	1.6
307.16553	3.0
316.28452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
53.27225	0.4
67.05508	1.5
69.03434	0.7
69.07081	0.8
70.33684	1.8
77.03934	0.7
79.05489	0.8
81.03407	0.5
81.07053	1.5
83.04970	0.5
84.04525	0.6
85.02911	0.9
91.05467	3.5
93.07052	2.4
94.06573	0.7
94.47573	0.5
95.04961	1.0
95.83747	0.5
96.08135	0.6
98.97575	0.6
105.06998	0.5
107.08601	0.9
107.80619	0.4
108.04478	0.7
108.08140	1.4
109.02876	0.7
109.10170	1.0
117.06941	0.5
121.10175	0.6
122.06023	2.5
124.07597	9.0
125.09647	0.7
126.05551	0.8
130.05006	1.8
131.08640	0.6
136.07585	100.0
138.09152	0.5
140.07034	1.0
145.10165	0.5
150.05573	1.1
152.07077	20.2
156.03587	0.8
164.07079	78.2
167.10817	0.4
169.12416	0.5
170.08147	6.6
176.14378	5.0
182.08148	20.3
224.08049	2.5
269.12784	0.8
287.13919	4.5
305.05594	5.3
305.10837	1.5
305.14899	2.9
305.18454	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83172	0.2
55.05494	0.3
67.66722	0.3
69.07056	1.3
70.73135	0.8
79.05476	0.7
81.07044	0.9
83.08649	0.3
91.05456	0.3
93.07041	0.5
94.04194	2.0
107.08607	0.5
109.06516	0.4
109.10162	0.5
114.09115	0.4
122.03654	6.1
133.10138	0.8
135.11690	0.9
137.05974	100.0
151.11217	0.4
153.12758	1.1
164.08382	0.3
170.15369	1.7
182.15382	3.4
183.64854	0.3
306.20648	0.9
311.85532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
56.96556	5.7
57.03419	4.3
61.02910	3.7
69.03413	7.7
71.55289	1.9
73.02888	2.9
81.03412	3.5
82.99820	10.8
84.08125	3.0
85.02885	8.3
86.99315	2.0
91.05464	4.3
97.01379	4.0
97.02889	6.2
98.97569	11.6
101.00881	80.7
103.00603	2.9
112.99159	1.7
113.00884	11.2
113.03459	2.1
115.02443	18.3
115.03876	2.4
116.98647	2.6
117.04014	1.9
119.01924	100.0
119.04876	3.5
121.01633	2.8
126.98773	2.3
127.02415	3.1
127.03907	2.5
128.98666	2.0
129.03987	7.0
131.01915	20.3
133.03481	22.9
133.05022	2.9
137.02953	9.6
137.05922	1.7
139.02388	3.8
143.00853	3.3
143.01894	47.9
144.99904	1.8
145.03500	10.6
145.04996	3.0
147.03264	2.0
147.04332	3.6
149.02942	2.4
155.01875	6.7
157.01685	1.9
157.03470	19.5
159.01382	5.7
159.05060	3.2
160.04799	1.9
161.02962	76.9
163.02728	4.0
163.03908	2.5
168.99812	19.4
169.03441	2.9
171.01375	4.5
171.05028	3.0
173.02936	13.8
175.04597	14.5
177.00952	4.2
177.02438	9.4
177.03763	1.6
179.00473	2.1
181.03346	2.7
184.04382	2.2
185.02957	3.5
186.99316	3.1
187.00900	35.7
187.02507	2.3
187.04498	5.8
187.42682	1.9
188.97156	2.3
189.02319	2.0
189.05518	2.7
191.03983	3.9
194.57170	1.8
196.99263	8.8
199.00879	6.9
199.02589	2.0
199.04442	2.0
201.00783	2.6
201.02467	2.6
203.03975	6.3
204.04434	1.5
205.00278	2.3
205.01965	9.2
205.03671	3.2
205.05605	4.9
215.00372	34.9
217.01901	4.6
217.07387	1.9
219.01917	5.6
219.03503	7.7
221.05106	4.0
223.04698	2.7
223.06638	7.8
225.06322	3.0
226.04460	1.8
229.01927	24.2
231.03625	2.0
233.01340	3.3
235.06647	3.9
237.02765	2.7
239.04297	2.7
243.01974	4.2
245.05067	3.1
247.02965	65.7
247.06679	6.9
257.01419	6.6
260.55316	1.9
261.03076	42.2
262.03128	2.2
263.00748	2.3
265.04007	6.8
265.07895	10.5
267.07410	3.4
268.07819	2.7
268.48474	1.9
279.09451	2.8
283.06787	2.2
289.04062	20.3
289.07645	6.1
293.03381	3.4
299.71555	1.8
307.05029	11.0
307.08109	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.7
56.96548	0.2
57.03431	0.5
63.02385	0.2
67.05502	1.2
69.03410	0.3
69.07061	0.6
71.04966	0.3
71.24891	0.4
79.05504	1.6
81.03411	0.4
81.07043	1.5
83.04974	0.3
85.02879	0.3
90.31509	0.2
91.05479	2.3
93.07050	1.2
95.08589	0.7
97.06561	0.2
98.98425	0.2
105.07018	1.6
107.04958	0.8
107.08574	0.8
109.06498	0.4
109.10136	0.4
117.07014	0.9
119.08564	1.1
121.06488	0.3
121.10117	0.4
127.03888	0.2
131.08571	1.1
133.10059	0.3
135.08073	0.3
141.06956	0.4
145.10178	0.5
152.06204	1.6
153.06979	0.9
159.11687	0.4
165.06987	9.1
166.07805	1.2
167.08578	1.1
168.05772	0.2
171.11641	0.3
173.13313	0.3
176.06210	3.3
177.06978	2.9
178.07779	11.7
179.08568	8.6
180.09314	1.0
180.95129	0.2
181.06435	0.7
181.10066	0.4
189.06989	22.2
190.07774	33.9
191.08553	100.0
192.09332	11.6
192.10794	0.2
192.11128	0.4
193.06480	0.9
193.10120	2.5
194.07300	1.4
195.08026	1.7
197.13409	0.3
200.06151	0.6
201.06982	1.4
202.07776	10.3
203.08563	6.3
204.05681	0.6
204.09311	0.3
205.06419	11.7
205.10081	0.6
206.07289	1.0
207.08060	2.4
207.11609	0.3
208.08835	1.0
209.09573	2.1
213.05495	0.5
215.08536	0.6
217.06491	0.7
217.10068	0.4
218.07278	8.5
219.08046	87.3
220.08813	14.7
221.06003	0.5
221.09619	1.1
222.06798	1.3
223.07527	0.5
223.11124	0.3
229.06525	1.1
230.07423	0.3
231.08028	0.5
232.05193	0.3
233.06079	0.5
233.09587	1.3
233.15392	0.7
234.06593	0.4
235.07539	1.0
235.11157	0.6
236.08388	1.2
237.09106	8.2
239.10707	1.2
245.06015	0.4
246.06757	2.8
247.07539	69.4
248.08334	5.4
249.09209	0.5
251.10744	2.5
257.06052	0.3
261.09048	1.9
264.07758	1.1
265.08652	0.8
274.06381	1.2
275.07016	19.6
276.07477	0.2
279.10162	48.6
280.10443	0.4
284.09372	0.2
289.08511	1.0
289.17981	0.4
293.08066	0.5
307.09644	47.7
307.18936	1.6
307.26703	0.9
308.09927	0.4
325.10541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01865	0.9
56.96572	0.8
57.03442	4.1
58.06611	1.1
60.04523	6.3
61.02922	4.6
63.03448	0.8
67.05522	1.1
69.03428	11.7
69.07070	30.6
69.76675	4.8
71.04984	1.2
71.08633	18.6
73.02924	2.1
80.55575	0.9
81.03416	7.0
83.08617	1.8
84.04496	3.2
85.02908	55.2
85.35590	0.8
86.02429	6.6
86.09692	1.1
91.05454	1.6
91.76065	0.8
92.09346	0.8
95.04916	0.9
96.08124	3.3
97.02898	33.5
97.06550	6.2
98.09680	1.1
98.97590	2.2
99.04452	1.8
103.03935	4.4
109.02882	11.4
110.06027	1.0
111.92992	0.8
112.84044	0.8
114.08418	1.3
114.09162	18.0
115.03959	1.1
118.79400	0.8
119.04923	1.4
122.10294	0.9
124.07631	0.9
126.09179	1.1
127.03909	11.6
136.78406	0.7
138.09132	3.1
139.03922	1.3
142.08640	100.0
145.04958	6.3
147.04419	1.5
154.74069	0.8
156.10191	2.1
166.08620	1.0
177.00647	1.1
180.10213	1.3
184.09697	69.2
187.63210	0.9
208.09698	13.7
220.09732	1.9
222.11362	0.9
238.10721	2.3
250.10741	7.8
259.06085	0.7
268.11670	1.4
304.05191	1.9
304.14108	3.3
305.15512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01874	2.4
55.05511	9.4
57.03438	13.9
59.05002	2.0
61.02925	3.1
67.05502	5.5
67.28069	1.1
69.03433	11.9
69.07070	1.5
70.78034	1.1
71.01367	11.2
71.04991	17.6
71.55625	2.2
73.02912	10.4
75.04488	9.2
79.05486	3.5
81.03412	5.3
81.07064	3.5
83.01334	2.4
83.04982	26.5
85.02907	100.0
87.04471	3.2
91.05493	3.4
93.07051	2.4
95.01318	2.7
95.04964	11.6
95.08604	2.2
97.02906	7.4
97.06541	4.6
99.00835	1.5
99.04463	3.7
101.02380	4.3
101.06031	4.1
103.03938	6.0
103.81170	1.0
105.05486	1.2
105.07013	2.6
107.04964	4.0
107.08594	2.2
109.02892	5.0
109.06558	1.5
109.10168	1.4
111.04449	17.5
113.02370	3.8
113.05997	6.4
115.05443	1.2
117.07042	1.6
119.08611	1.5
121.06544	1.6
123.04453	2.0
125.02367	2.8
125.06004	2.1
127.03897	5.0
129.05478	19.5
131.03406	2.7
131.08615	1.7
133.06482	1.3
135.04399	1.4
137.02342	4.2
137.05963	1.4
139.03897	2.6
141.01852	6.4
141.05553	1.4
143.08627	1.2
147.06528	9.1
149.02386	1.6
149.05984	2.4
151.03967	2.7
153.05435	1.4
155.03375	2.1
157.01326	3.3
157.04951	10.1
159.02890	6.5
165.01880	3.5
169.01376	1.2
169.04898	1.6
171.06561	2.2
173.08141	2.2
177.05476	2.6
179.03442	1.8
183.02876	6.2
187.02357	6.7
195.06523	2.4
201.03944	12.9
207.02904	1.4
209.04510	1.3
213.03967	3.1
213.07590	4.2
217.07036	1.4
219.05072	2.3
241.07079	6.1
259.08197	7.3
269.06549	8.4
269.15674	1.3
287.07602	3.9
287.16376	1.5
305.08347	9.4
305.17529	4.1
305.21198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01881	2.5
55.05508	7.4
56.96563	3.9
57.03437	13.5
58.45177	1.7
59.04990	1.8
61.02927	4.7
62.74269	1.4
65.03952	1.9
67.05503	9.8
69.03435	14.2
69.47887	1.6
71.01369	9.8
71.04996	20.9
72.64020	1.5
73.02924	12.4
73.06552	1.9
75.04471	7.2
76.04411	1.5
79.05496	4.0
81.03401	7.7
81.07056	6.4
83.01335	3.0
83.04977	27.1
83.08585	1.8
84.96027	3.3
85.02908	100.0
87.04467	5.1
91.05479	5.9
93.07030	5.6
95.01319	3.3
95.04944	8.2
95.08609	4.9
97.02899	8.3
97.06530	2.8
98.21532	3.3
98.97602	2.9
99.04483	3.6
101.02370	4.5
101.06021	3.8
103.03931	6.0
105.07069	3.1
107.05000	2.7
107.08584	3.2
109.02879	3.6
109.06510	2.6
110.97558	1.7
111.04443	24.3
113.02377	3.6
113.06018	6.6
117.45821	1.4
119.01782	1.9
119.08581	3.1
121.02900	2.5
121.10125	2.9
122.58497	1.6
125.05965	1.7
125.09632	2.9
127.03925	6.1
129.05487	18.8
131.00180	3.5
131.03366	3.4
131.08562	2.8
133.10095	2.8
137.02281	3.9
139.03886	1.7
141.01834	6.5
145.10152	2.3
147.06540	12.6
149.05960	1.7
151.03978	1.8
153.05600	1.9
155.03464	1.9
156.03662	2.2
157.01369	3.2
157.04924	11.4
159.02884	6.6
159.11737	1.7
165.01839	4.8
171.06625	2.9
173.08113	4.8
177.05476	4.0
183.02907	5.0
187.02396	5.5
195.06470	2.8
201.03934	16.2
213.03947	2.8
213.07527	4.1
217.07091	3.3
219.05124	2.7
224.08083	15.6
224.58229	2.4
229.07257	2.4
241.07091	7.5
242.24774	2.1
244.12218	2.4
259.08167	7.1
263.04489	1.6
269.06714	8.3
287.07715	7.8
305.08582	7.2
305.11685	8.6
305.21063	3.2
305.24750	1.8
305.28763	1.9
305.60864	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26890	1.5
55.01868	3.6
55.05516	8.6
57.03436	11.7
59.04990	1.8
61.02927	3.4
61.40332	1.3
67.05519	7.1
68.99823	2.1
69.03420	9.0
69.07074	3.5
71.01365	11.0
71.04997	15.9
71.55056	2.0
73.02916	9.6
75.04496	7.3
79.05500	3.1
81.03418	6.9
81.06649	1.3
81.07066	5.8
83.01314	2.1
83.04989	27.4
85.02910	100.0
87.04462	3.5
91.05478	3.0
93.07047	4.2
95.01340	2.9
95.04974	9.7
95.08617	5.3
97.02907	8.8
97.06561	3.5
97.62580	1.6
99.00821	2.0
99.04443	3.4
101.02389	3.9
101.06034	4.6
103.03961	4.4
105.07031	2.7
107.04996	1.5
107.08616	3.2
109.02888	3.4
109.06532	3.1
109.10152	3.9
111.04463	19.1
113.02381	4.5
113.06000	6.6
119.08595	3.2
121.10161	3.6
123.04404	1.6
123.11736	1.9
125.02377	4.4
125.05990	2.2
127.03943	4.5
129.05493	16.2
131.03447	3.1
133.10132	2.8
135.11667	1.7
137.02353	2.7
137.05980	2.6
141.01831	6.7
147.06497	9.7
149.13245	1.6
151.03966	2.3
153.05524	2.4
155.03397	2.2
157.01347	3.2
157.04973	13.0
157.10081	1.6
159.02908	6.5
165.01872	4.5
171.06606	2.2
175.29181	1.7
177.05470	2.3
183.02989	6.6
187.02411	8.0
195.06485	2.6
199.06023	2.3
199.11012	1.4
201.03925	11.3
213.03995	1.6
213.07593	3.6
219.05067	1.6
223.05962	1.7
241.07146	6.6
243.05194	1.5
259.08035	7.5
269.06628	8.3
287.07654	7.5
287.20148	1.7
287.23663	2.7
305.05484	2.6
305.08719	8.8
305.11880	2.0
305.24765	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14461	1.9
57.03415	4.9
61.02917	6.0
69.03414	8.8
69.45311	2.1
69.50648	7.7
69.51057	6.4
72.08157	3.1
81.03394	2.3
84.08141	2.3
85.02891	11.5
97.02881	5.1
101.00852	7.3
115.02493	2.7
119.01914	8.1
127.03890	3.2
131.01883	3.2
133.06108	2.6
141.05237	3.0
143.01848	3.0
145.04924	2.5
156.97459	9.9
157.03488	2.9
174.98465	3.1
180.97404	3.9
184.05766	5.3
194.07115	2.1
194.99098	4.5
198.98573	13.8
200.07077	5.3
201.90160	2.3
203.05205	6.2
205.05510	2.7
213.00090	11.5
216.99820	3.4
221.04240	5.2
223.06650	5.4
243.02429	7.4
262.33423	2.3
285.02258	2.6
303.03241	72.1
303.10706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01864	3.7
55.05521	8.6
56.96546	2.1
57.03423	4.7
64.29690	1.4
67.05515	11.4
68.99783	2.5
69.03421	3.2
69.07051	5.7
71.04983	3.3
71.55805	2.4
76.07560	1.5
79.05498	14.0
81.03418	28.2
81.07059	13.9
83.04995	8.9
83.08623	10.4
85.02879	6.6
91.05490	16.8
93.07030	6.9
95.04970	11.1
95.08595	6.0
97.06522	3.2
98.97590	2.4
105.07018	10.5
105.14053	1.7
107.04930	4.9
107.08566	5.0
109.06499	2.9
109.10144	2.1
111.00800	3.0
111.04422	2.7
111.08060	4.4
117.03359	1.8
117.07023	1.8
119.08572	9.9
121.02850	5.1
121.10095	6.3
123.08018	2.4
125.09622	2.3
128.06190	1.5
129.06992	3.3
131.08551	6.2
133.10126	7.3
135.11684	2.8
137.02362	7.8
137.05956	5.2
141.76265	1.8
143.08557	1.9
145.02887	1.8
145.06531	2.3
145.10083	3.6
147.11700	8.2
149.02376	2.0
149.06039	2.4
149.09665	2.2
153.01840	9.2
157.10135	7.8
163.11116	2.0
165.01860	3.2
165.12675	1.8
168.01076	1.6
174.09389	1.9
175.11192	7.7
177.05426	3.0
183.08006	2.2
189.07060	2.5
191.08542	3.4
193.12256	31.0
201.05460	4.4
211.13287	23.5
219.07965	2.1
229.04916	10.9
243.10208	2.0
247.07634	3.4
257.04419	7.9
267.15732	3.6
275.06964	2.5
285.03809	2.8
285.16925	11.8
288.05096	2.8
303.04953	100.0
303.12662	4.8
303.16501	2.3
303.22958	2.9
304.05396	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
51.71573	0.6
53.03937	1.4
55.01854	1.7
55.05512	8.7
55.72608	0.6
56.96559	0.9
57.03439	3.9
65.03926	1.1
67.05184	0.8
67.05508	10.4
68.99787	1.2
69.03419	2.5
69.07066	4.1
71.05003	3.2
71.05315	0.5
71.55763	0.7
79.05497	9.4
81.03419	28.7
81.06601	0.9
81.07058	14.9
83.04980	6.9
83.08617	9.6
85.02900	6.6
85.06543	1.3
91.05486	11.4
93.06566	0.6
93.07052	8.2
94.04183	0.5
95.04969	10.9
95.08619	7.0
97.02886	2.6
97.06513	3.5
97.10169	1.1
98.97579	0.8
99.04460	0.6
99.08064	2.3
101.06039	0.6
105.06398	0.9
105.07040	11.3
105.95079	0.6
107.04964	3.2
107.08597	5.0
109.02885	1.2
109.06509	3.0
109.10143	3.3
111.00791	1.9
111.04420	1.7
111.08070	5.0
113.06012	0.7
115.05419	1.1
116.40020	0.6
116.98586	0.6
117.07041	1.3
119.04935	1.0
119.08587	8.5
120.08071	1.0
121.02856	2.1
121.06477	1.1
121.10142	4.9
123.04419	0.9
123.08067	1.8
123.11728	1.5
125.09615	1.4
127.11185	1.0
129.07076	3.0
131.04892	1.5
131.08554	5.2
133.06531	0.7
133.10117	7.5
135.04414	1.1
135.08061	1.2
135.11673	1.6
137.02348	6.5
137.03331	0.9
137.05981	8.9
142.07779	1.0
143.08594	1.1
145.02823	1.1
145.10123	2.3
147.04396	3.0
147.08015	1.0
147.11696	6.4
149.02399	1.0
149.05974	0.6
149.09590	3.1
151.07527	0.9
151.11153	1.0
153.01825	9.0
153.05376	0.7
155.10588	0.7
157.10143	6.6
159.11703	1.6
161.13235	0.9
163.03885	3.2
163.11247	0.9
165.01872	4.3
165.06978	0.8
165.12762	0.8
168.78996	0.5
169.10109	0.9
171.11664	1.1
173.05965	1.7
173.13217	0.7
175.11165	5.8
177.00844	0.8
177.05478	1.5
179.03352	0.7
183.02875	1.2
183.04338	0.7
185.13326	0.8
187.03871	0.7
187.14799	0.7
189.05484	0.9
191.03456	0.8
191.08501	1.1
193.12251	28.3
195.03035	0.8
196.05234	0.7
199.14828	2.0
201.05534	4.0
211.07585	1.4
211.13290	23.7
211.15247	1.3
219.06416	1.3
228.04303	0.6
229.04906	8.0
229.13448	0.9
239.07030	0.8
243.10095	0.8
257.04449	4.8
257.12836	2.5
259.09604	1.0
267.15842	3.5
271.09705	1.1
274.04645	1.2
285.03897	2.3
285.12195	1.2
285.17007	11.2
285.22021	1.6
285.91949	2.1
288.05222	1.0
303.04974	100.0
303.23087	3.5
304.05273	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	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03940	0.3
55.01878	0.3
55.05510	6.4
56.05848	0.3
57.03426	0.3
57.07061	0.4
59.13272	0.2
65.03948	0.3
65.71767	0.2
67.01852	0.5
67.05509	1.1
68.99796	1.7
69.03442	0.3
69.07063	0.5
70.06599	0.3
71.05003	0.3
75.27393	0.2
79.05071	0.2
79.05490	0.7
81.03412	0.6
81.07056	1.3
82.06588	2.2
83.04979	1.4
83.08626	3.7
84.08153	0.2
85.02904	0.2
85.06543	0.3
89.76323	0.3
91.05473	1.2
91.58131	0.6
93.03400	0.5
93.07043	0.8
95.04948	0.6
95.08607	0.8
97.02901	0.4
97.06530	0.4
98.09708	0.4
100.07617	1.2
100.09440	0.9
100.11260	17.5
101.11609	1.3
103.05446	0.4
105.03420	0.3
105.07025	0.9
107.04942	0.3
107.08580	0.8
109.02885	1.0
109.10159	0.8
109.90327	0.2
110.06056	1.5
111.00803	1.8
111.04436	2.2
112.07583	0.3
115.05556	0.2
117.07074	0.4
117.13889	0.9
119.04935	0.2
119.08567	0.7
121.02852	1.6
121.10163	0.5
123.04436	0.5
123.08078	0.3
126.09157	0.5
127.03891	0.5
128.07069	0.6
131.04930	0.3
133.02835	0.2
133.10152	1.9
135.04411	0.5
137.02356	6.6
137.03409	0.6
137.06012	1.9
139.08705	0.2
140.07005	0.4
140.10643	0.2
141.11504	3.9
141.61618	0.4
143.08653	0.3
145.06453	0.7
145.10123	0.4
147.11716	0.6
149.02345	0.8
151.03838	0.2
151.11223	0.7
153.01831	7.5
154.12256	0.7
155.04848	0.8
155.11203	0.9
155.61337	0.3
159.04425	0.3
161.05988	0.8
161.09628	0.5
161.13315	0.2
163.03929	1.2
163.64392	1.9
164.14447	0.4
165.01845	3.5
166.02643	0.7
166.15866	0.3
172.15747	0.4
173.02472	0.2
173.06039	1.2
175.14513	0.3
177.05481	0.6
179.03360	0.3
179.10593	0.5
182.15395	5.3
183.02899	1.7
183.04411	0.6
183.15770	0.7
187.03906	1.0
189.05458	0.6
190.07784	0.4
191.03433	0.5
191.08470	0.5
199.18065	1.5
201.05467	4.2
201.07214	0.3
204.66460	1.1
205.04936	0.7
205.16682	0.5
207.02992	0.3
209.16483	2.3
210.14938	2.9
210.16797	0.4
211.07561	0.3
211.15181	0.5
213.05501	0.3
213.17798	2.3
213.67982	0.5
215.10631	0.2
215.12823	0.3
217.84315	0.6
218.66302	1.4
219.06429	0.5
219.16351	0.3
225.16081	0.4
226.19162	0.9
227.17551	3.2
227.51010	0.5
228.04263	0.5
229.04968	9.0
229.25101	0.3
239.03380	0.3
246.05292	0.4
247.06061	0.9
253.14430	0.3
257.04456	5.2
259.09637	0.2
260.21100	0.4
260.54523	0.4
271.09683	0.3
274.04800	1.2
275.05328	0.3
276.72620	0.3
285.03931	1.8
285.12204	0.3
285.24304	1.1
285.74326	0.8
288.05197	0.2
303.04987	100.0
304.05316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01878	0.3
60.49555	0.1
65.03927	0.4
65.07374	0.1
67.01859	0.3
67.05511	0.2
68.99486	0.2
68.99794	1.7
69.43460	0.6
69.43869	0.5
81.03405	0.4
82.06389	0.1
92.69709	0.1
93.03401	0.7
95.04947	0.6
98.20746	0.2
99.16769	0.2
107.04963	0.2
109.02867	0.8
111.00829	1.5
114.05628	0.1
117.07008	0.3
121.02875	1.8
123.04419	0.7
127.03936	0.4
131.04907	0.4
135.04443	0.4
137.02350	6.1
137.03401	0.4
145.06541	0.7
149.02393	0.8
151.03914	0.2
153.01837	8.1
155.04884	0.5
155.06035	0.2
159.04414	0.2
161.05980	0.5
163.03909	1.0
165.01863	3.5
166.02608	0.4
173.05997	1.1
177.05455	0.2
179.03409	0.4
183.02892	1.5
183.04462	0.8
187.03999	0.7
191.03436	0.4
195.02837	0.3
201.05496	3.7
205.04967	0.3
211.03958	0.4
219.02925	0.4
219.06569	0.4
228.04266	0.4
229.04970	8.0
239.03377	0.5
246.05215	0.2
247.06081	1.0
257.04465	4.2
274.04749	1.3
285.03922	2.3
286.04486	0.2
295.16119	0.2
303.04999	100.0
304.05350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.1
55.01871	0.2
55.84455	0.1
56.45855	0.1
65.03941	0.5
67.01852	0.3
67.05486	0.3
68.99445	0.1
68.99790	1.7
69.03429	0.1
69.38882	0.6
77.03924	0.1
78.98345	0.1
81.03415	0.6
93.03397	0.7
95.04978	0.7
97.02898	0.1
105.03405	0.2
106.75781	0.1
107.04905	0.1
109.02885	1.0
110.03659	0.2
110.19517	0.1
111.00811	1.6
114.43639	0.1
115.05473	0.3
117.07018	0.4
121.02878	2.2
123.04449	0.6
127.03915	0.4
128.06207	0.1
129.06958	0.1
131.04936	0.4
133.06471	0.1
135.04424	0.5
137.02350	7.3
139.05481	0.1
143.05000	0.1
145.02818	0.2
145.06537	0.6
149.02374	0.9
149.05954	0.1
153.01830	9.5
155.04921	1.0
155.06061	0.2
157.06552	0.1
159.04443	0.3
161.05984	0.6
163.03917	0.9
165.01845	3.8
166.02640	0.5
173.05989	1.1
177.01886	0.2
177.05469	0.2
179.03383	0.4
183.02893	1.4
183.04431	1.0
187.03903	1.0
191.03415	0.5
191.07094	0.2
195.02916	0.5
200.04703	0.2
201.05469	4.2
205.04991	0.5
207.02856	0.2
211.03912	0.3
213.05472	0.2
215.03404	0.2
219.02962	0.2
219.06567	0.5
228.04291	0.6
229.04968	8.9
232.03630	0.1
233.04443	0.2
239.03452	0.6
245.04410	0.2
246.05191	0.1
247.06004	1.2
257.04453	5.3
267.02856	0.2
274.04761	1.3
275.05411	0.4
285.03970	2.2
302.03540	0.1
303.04993	100.0
304.05316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81912	0.1
69.57559	0.2
69.57966	0.4
77.28394	0.1
77.37281	0.1
78.46310	0.1
79.64326	0.1
82.99908	0.3
96.89167	0.1
98.97573	0.7
101.00881	2.1
102.00941	0.1
116.98694	0.3
117.11643	0.1
119.01924	5.1
120.02055	0.2
122.97787	0.1
134.99834	0.3
137.02962	0.9
140.98814	0.2
155.93449	0.1
158.99911	1.5
165.99713	0.3
175.03084	0.1
177.00954	10.5
178.01076	0.7
179.00708	0.5
182.99838	0.7
193.04103	0.1
199.02982	0.2
200.02524	0.2
201.00914	2.1
201.02603	0.2
202.00992	0.2
203.00836	0.1
217.04083	2.4
218.03993	0.2
219.02008	19.8
220.02136	1.5
221.01778	0.9
222.02000	0.1
225.00824	2.4
226.01129	0.2
234.00768	0.2
234.99892	0.1
236.99879	0.3
238.95746	0.1
242.03650	0.3
243.01990	11.4
244.02129	0.7
256.96680	0.8
258.99936	0.2
260.04523	0.2
261.03061	100.0
262.03189	6.6
263.03360	0.6
266.03604	0.4
273.02805	0.1
274.97543	0.1
275.04703	0.2
279.00616	0.7
279.98120	0.5
280.00909	0.1
282.99973	0.7
284.04669	2.7
284.99854	2.7
285.04892	0.5
291.98166	0.1
297.97479	0.1
301.01025	0.8
301.06351	0.1
303.00836	3.3
303.04385	2.7
320.97406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
54.37371	1.1
55.05503	3.4
56.09631	1.2
56.96559	1.9
57.03416	3.8
61.02912	5.8
67.05508	6.0
69.03423	13.4
69.07050	2.4
69.56601	4.5
69.57012	3.0
70.06597	6.0
71.04974	1.6
72.08161	37.8
73.02907	2.6
76.59267	1.2
79.05484	5.1
80.21641	1.2
81.03431	7.5
81.07037	5.9
84.08149	2.2
85.02910	88.3
86.09716	16.1
87.04446	1.1
91.03945	1.5
91.05479	4.8
93.05792	1.6
94.06569	2.0
95.04965	4.9
96.04523	1.5
97.02897	40.0
98.06032	1.4
98.21514	1.5
98.97578	3.5
99.04440	3.4
103.03965	7.2
108.08124	12.6
109.02896	16.2
109.06494	1.4
110.06030	2.8
110.65044	1.5
112.07603	2.7
115.03903	1.7
121.10202	1.2
122.06020	8.0
123.04391	1.4
124.07587	1.5
125.06004	7.6
126.05531	7.2
126.09140	3.7
127.03915	18.7
130.06509	3.6
132.10170	2.4
136.07562	16.1
140.03465	1.4
140.07072	46.6
143.11804	27.1
145.04997	14.6
150.09158	4.1
152.07089	18.3
154.08607	5.2
157.13411	6.9
162.05457	1.7
163.06062	2.2
164.07082	25.1
168.00575	1.6
171.11275	13.9
178.08641	17.2
182.08134	100.0
185.12854	3.2
206.08141	43.8
218.08232	6.0
234.99043	2.2
236.09172	5.0
248.09193	11.8
257.82312	1.3
286.04349	1.6
287.05078	6.0
302.07419	6.3
302.12241	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38844	0.7
53.03948	1.0
55.01847	0.7
57.03428	2.2
60.32103	0.8
61.02913	2.0
65.03932	1.7
65.41360	0.7
67.05503	24.5
69.03428	14.2
69.07062	7.1
69.88395	3.6
70.06576	1.5
71.04981	1.1
72.08147	1.1
73.02904	1.4
76.77541	0.7
81.03417	4.6
84.08129	1.8
84.39597	0.7
85.02901	32.4
86.09689	2.7
91.03959	1.0
94.06570	1.3
95.04965	44.1
97.02888	32.0
98.20792	0.9
98.97571	1.0
99.04433	1.6
103.03940	4.1
109.02870	6.4
110.05924	0.7
112.07607	30.5
113.06002	3.1
122.05995	1.6
123.04391	1.3
124.07572	2.0
127.03930	7.1
130.08614	1.2
135.04370	0.8
136.07588	1.9
140.03439	2.0
140.07059	100.0
145.04956	3.2
150.79510	0.7
152.07043	1.2
154.08598	5.4
163.03880	1.3
164.07137	1.0
166.41469	0.8
178.08618	3.1
182.08128	55.1
206.08096	13.1
206.47838	0.8
218.08022	1.0
236.09203	2.9
243.00639	0.8
248.09169	8.3
259.05847	0.9
284.11356	1.0
287.05087	3.9
302.07474	5.1
302.12411	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	302.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01864	0.6
55.09488	0.2
56.96551	0.6
57.03417	0.7
57.03665	0.2
61.02930	1.5
65.03945	0.4
67.05479	0.3
68.99794	1.2
69.03432	3.3
69.47877	1.1
69.48285	0.3
71.04998	0.4
73.02901	0.6
75.30433	0.2
81.03419	1.5
85.02909	19.1
86.09726	1.1
87.04471	0.4
91.03975	1.2
91.05479	0.7
93.03405	0.3
95.04951	0.5
97.02895	4.8
98.20734	0.2
98.97568	0.2
99.04432	0.6
105.07029	1.4
109.02880	2.2
111.00797	1.8
119.04945	0.9
121.02872	2.0
123.04447	0.4
127.03927	5.2
131.04948	0.4
135.04398	0.4
137.02350	6.3
137.03416	0.4
140.06996	0.2
143.11823	1.0
145.04970	10.0
145.06453	0.5
147.04410	3.0
148.04776	0.3
149.02330	0.7
151.03894	0.5
153.01842	8.5
155.04945	0.5
161.05974	0.5
163.03947	1.3
163.06036	3.1
163.07414	0.3
165.01837	3.1
166.02640	0.4
171.11298	0.3
173.06018	0.8
179.03329	0.4
180.08702	0.6
183.02888	1.4
183.04445	0.9
187.03889	0.6
191.03539	0.3
195.02850	0.2
201.05443	3.7
205.04843	0.3
211.03835	0.2
213.05644	0.3
219.06540	0.5
228.04158	0.7
229.04976	8.6
235.02914	0.3
247.06017	1.1
253.03819	1.0
257.04477	4.3
271.04910	0.6
274.04736	1.1
275.05435	0.4
285.03998	2.0
285.13339	0.4
287.05109	0.7
295.04837	0.8
302.04001	0.7
302.07370	0.7
303.05002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01846	1.6
57.03429	3.1
61.02913	5.4
67.05496	6.0
69.03436	15.1
69.27560	11.2
70.06570	2.5
71.04980	1.7
72.08138	4.8
73.02914	2.4
79.05468	4.5
81.03428	6.9
81.07070	6.9
84.08123	1.6
85.02909	84.9
86.09700	3.4
91.05470	3.9
93.05788	1.3
94.06551	2.9
95.04960	2.8
97.02896	43.9
98.97602	1.5
99.04433	3.5
101.87965	1.2
103.03951	4.7
107.06562	1.4
108.08128	10.8
109.02887	11.3
109.06506	1.4
110.06036	1.7
112.07592	2.2
115.03904	2.2
122.06007	8.2
125.05991	7.1
125.06779	1.1
126.05516	6.2
126.09149	3.3
127.03927	18.6
136.07585	19.6
139.10570	1.1
140.07065	47.8
143.11801	3.6
145.04945	14.9
148.43674	1.1
150.09152	5.7
152.07063	18.6
154.08606	7.0
157.17725	1.2
163.06032	4.6
164.07079	20.5
171.11284	2.0
178.08618	16.2
182.08134	100.0
206.08121	44.2
218.08075	3.8
236.09166	5.1
248.09218	10.7
287.05066	2.8
302.07108	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01880	31.0
55.05516	36.4
57.03442	56.4
57.07084	2.1
57.92605	1.9
61.02927	2.3
64.25683	1.7
67.05509	28.5
69.03441	11.7
69.07065	11.7
69.49903	15.5
71.04987	4.4
73.02923	16.4
78.34174	2.1
79.05498	31.4
81.03431	11.6
81.07063	26.6
82.04198	8.9
82.06580	5.2
83.04981	30.0
83.08627	19.7
84.05305	2.2
85.02887	4.2
90.82363	1.9
91.05498	20.3
93.03416	1.8
93.07043	19.9
95.04988	18.1
95.08607	10.3
97.02884	5.2
97.06531	9.0
97.10178	21.3
98.07329	10.9
98.21668	1.9
99.04466	20.1
100.11259	13.1
101.06035	4.4
101.11599	4.2
105.07058	11.5
107.04961	6.1
107.08613	16.0
109.02878	4.1
109.06537	2.5
109.10146	8.3
110.06059	5.0
111.04433	14.6
111.08075	4.4
113.06065	2.2
115.05411	3.3
116.04718	38.6
117.07018	4.4
119.08585	12.0
121.06477	4.2
121.10149	9.2
123.08083	4.9
125.09624	22.0
127.03905	22.0
129.05487	100.0
129.07011	4.1
131.08601	4.5
133.10141	6.2
135.08089	3.1
135.11679	13.4
137.09659	3.7
139.07539	2.2
140.00908	2.4
141.11501	3.8
141.61647	3.7
143.07033	15.9
145.04964	2.2
145.10127	7.4
147.11679	6.1
149.09599	3.8
153.09116	3.9
155.08597	2.5
157.04968	4.5
157.08626	37.3
157.10027	5.4
158.51993	1.8
163.11176	13.5
164.12032	2.2
168.00595	7.1
169.01282	2.2
171.10155	12.7
175.11237	5.5
181.12263	5.0
182.15430	7.2
183.15776	3.9
185.11717	5.0
189.11223	26.6
193.12277	4.2
199.13318	6.4
200.14090	8.3
200.18443	3.1
205.16707	5.5
209.11848	2.7
209.16537	2.9
210.12714	3.4
210.14886	5.3
211.15248	3.7
218.66327	4.6
219.16403	11.5
219.66498	4.2
222.60616	1.8
227.12788	37.2
245.13672	2.7
258.05316	2.3
268.69669	2.8
282.69647	9.8
283.07758	2.3
283.15460	15.0
285.03940	6.3
286.04724	53.2
301.03519	4.7
301.06931	59.6
301.16492	74.2
301.21646	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	301.2161
Annotation	20,14-retro-retinoic acid
Peak:m/z	Relative Intensity
53.03937	4.4
55.05512	12.2
57.07076	6.3
61.05848	2.1
67.05514	20.4
69.03435	4.9
69.07063	9.2
70.09170	10.0
71.05002	6.1
79.05500	15.1
81.07057	23.9
83.08621	4.5
85.09657	2.1
88.12411	2.0
91.05484	41.1
93.07047	31.8
95.04969	13.3
95.08599	20.7
97.06535	7.1
105.07033	45.0
105.95004	2.2
107.08600	36.6
109.06521	33.0
109.10149	21.6
111.08065	4.5
112.30689	1.9
117.07038	16.4
119.04994	3.0
119.07724	2.6
119.08578	50.6
121.06477	7.4
121.10152	28.3
123.08051	4.4
123.11703	5.0
128.06233	2.4
129.06969	7.9
130.07755	4.7
131.08577	48.2
133.10118	36.8
135.08055	21.4
135.11703	9.1
137.09601	2.2
139.11166	2.1
142.07758	5.7
143.08572	17.5
144.09366	6.1
145.10133	51.3
146.07251	6.2
147.11673	15.7
149.09621	2.3
149.13255	6.4
155.08586	2.8
156.09288	3.2
157.10138	11.8
158.10957	11.8
159.08063	5.9
159.11708	9.9
161.09624	64.2
161.13271	4.0
163.11182	6.5
168.00571	7.4
171.11671	8.3
173.09813	3.7
173.13271	100.0
175.11279	2.3
175.14833	10.8
183.11690	6.4
185.09729	2.8
185.13266	6.3
189.12706	2.8
191.14279	25.2
194.10844	3.2
195.11676	4.8
199.14836	9.3
201.12791	3.9
201.16467	2.7
209.13303	10.3
213.16409	4.7
217.15919	2.5
223.14838	5.8
225.16496	2.8
227.14276	5.3
258.05151	2.6
265.19611	10.5
283.20517	10.9
285.04007	5.8
286.01614	2.6
286.04727	52.3
301.07062	68.6
301.21463	13.2
302.30527	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	301.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01878	7.5
55.05513	41.6
57.03440	14.7
57.07056	4.2
59.04997	2.1
67.05507	30.2
68.99793	1.5
69.03416	4.8
69.07061	13.0
69.48211	4.0
69.48636	5.4
71.01347	2.0
71.04985	3.9
75.04469	3.0
79.05067	2.1
79.05494	22.0
81.03413	1.9
81.06604	1.7
81.07059	23.8
83.05004	6.4
83.08618	10.6
85.02917	14.0
85.06528	2.5
87.04465	4.7
91.05489	17.1
93.07056	19.7
95.04976	10.5
95.08617	18.3
97.06510	8.2
97.10166	27.6
98.20810	2.3
103.03936	6.7
105.07038	29.0
107.07884	2.2
107.08595	34.6
109.06521	21.8
109.10161	23.7
111.08063	3.0
115.05454	2.5
117.07014	7.8
118.04175	2.4
119.08585	34.3
121.06493	4.1
121.09437	1.6
121.10155	15.1
123.08022	3.8
123.11682	2.7
125.09638	25.9
128.06221	2.6
129.07008	5.0
130.00648	1.2
130.07733	2.2
131.08569	28.2
133.10136	22.3
135.07303	1.3
135.08089	13.5
135.11716	8.1
137.09599	2.2
140.00993	2.8
142.07779	1.4
143.08571	12.0
143.10672	3.9
144.09326	4.4
145.10129	32.6
146.07268	5.0
147.08070	1.6
147.11681	9.6
149.09688	2.3
149.13266	3.6
153.12758	1.7
155.08615	2.2
156.09320	3.6
157.10114	7.5
158.10915	9.3
159.08080	4.0
159.11728	6.8
161.09619	38.3
161.13263	1.8
163.11172	6.2
167.08572	2.6
168.00536	11.4
169.10114	1.6
170.10905	1.4
171.11688	5.2
173.09625	2.8
173.13264	51.9
175.11183	3.0
175.14853	5.3
179.08543	2.8
181.10121	1.9
181.12244	3.1
183.11607	6.0
185.13225	4.7
186.01543	3.8
187.14854	2.1
189.12746	1.8
191.14294	14.8
194.10963	2.1
194.86026	1.4
195.11787	2.7
197.13187	2.1
199.13237	3.2
199.14842	4.0
201.12747	3.3
201.16394	2.0
209.11612	2.7
209.13301	5.7
212.04703	2.3
213.16454	1.9
223.14725	3.0
225.16403	2.0
227.12619	2.6
227.14540	1.8
229.07516	3.0
229.14389	1.4
240.04063	1.5
241.04997	2.5
257.13907	6.4
258.05246	4.5
265.19492	3.6
283.15436	2.3
283.20612	5.6
285.03928	13.4
286.04721	89.9
287.05112	3.2
301.07071	100.0
301.16434	23.7
301.21527	9.7
302.07458	3.9
302.30469	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	301.1645
Annotation	Dendronobilin M
Peak:m/z	Relative Intensity
53.03945	2.3
55.01881	3.3
55.05511	14.4
57.03432	7.9
67.05508	17.4
69.03413	1.9
69.07055	6.4
70.80063	1.7
71.04986	2.3
73.02925	2.0
79.05499	21.3
81.03427	3.6
81.07063	20.2
83.04978	6.3
83.08640	8.6
91.05487	8.9
93.07046	34.0
95.04968	7.2
95.08616	32.1
97.02885	5.0
97.06535	5.9
98.74732	1.5
99.04457	2.6
105.07021	7.7
107.04961	8.3
107.08595	22.1
109.10162	7.2
109.47516	1.7
111.04488	2.7
111.08094	2.5
117.07024	6.4
119.08584	9.9
121.06497	6.3
121.10145	13.0
123.11723	1.7
125.05987	2.7
125.09565	1.7
129.05482	2.2
135.08080	4.2
135.11700	36.6
145.10126	23.0
153.12737	1.7
154.18401	1.7
161.13925	1.7
163.11183	52.5
168.00565	2.0
173.09607	2.2
181.12274	9.5
191.10638	3.1
209.11710	6.0
227.12801	100.0
229.14374	2.8
258.04932	2.0
283.15390	54.9
285.03983	3.6
286.04764	28.3
301.07117	31.1
301.10626	4.2
301.16614	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79680	0.5
53.03921	1.1
55.01873	3.7
55.05511	12.5
57.03439	8.0
57.07056	0.6
59.04976	1.5
65.03924	1.1
67.05505	30.2
68.99768	1.1
69.03397	1.2
69.07064	4.6
70.60690	1.2
70.61062	0.8
71.04966	1.7
72.57620	0.5
73.02910	0.7
79.05499	10.8
81.03427	2.8
81.07058	13.1
83.04977	3.7
83.08618	4.4
85.02879	1.9
85.06522	1.7
91.04993	0.6
91.05480	8.6
93.06502	0.7
93.07044	9.7
95.04983	3.6
95.08611	5.9
97.02875	1.1
97.06552	2.6
97.10165	5.4
99.04403	0.8
100.98810	0.5
105.03397	0.6
105.07018	2.9
107.04945	5.4
107.08582	6.7
109.06491	1.5
109.10150	15.0
110.10398	0.6
111.04442	4.3
111.08041	1.4
117.07028	2.7
118.04144	1.7
119.05009	0.6
119.08582	3.9
121.02844	0.8
121.06472	0.9
121.09340	0.7
121.10148	7.3
123.08054	0.9
123.11604	0.5
125.06001	0.6
125.09638	4.5
129.06995	1.1
131.08578	2.6
132.56276	0.5
133.10097	1.3
135.08075	1.1
135.11687	5.0
137.09607	1.1
140.01025	1.4
143.10594	0.6
144.89630	0.6
145.06456	0.8
145.10106	5.2
147.11641	1.2
149.09581	1.6
153.12721	2.0
155.08527	0.8
155.10637	0.7
159.11816	0.6
163.11185	7.9
168.00542	8.4
169.01318	1.2
171.11711	0.6
173.09615	3.5
173.11818	3.2
173.13123	0.9
181.12212	3.2
184.05179	1.3
186.01595	4.4
191.10658	4.4
199.13278	0.7
209.11638	2.9
212.04733	1.3
227.12798	3.4
229.04950	1.4
229.14334	0.7
232.49300	0.6
240.04205	2.3
241.04913	0.8
255.06606	1.0
257.04395	0.8
257.13809	7.3
258.05347	3.2
267.09018	1.5
283.15411	1.3
285.03906	12.3
285.10165	1.7
286.04715	82.3
287.04944	0.7
301.07062	100.0
301.16507	27.5
301.21732	1.4
301.29178	0.6
302.07480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01874	9.4
55.05511	13.1
56.21614	0.9
57.03441	7.8
59.04988	2.2
60.03495	1.0
67.05506	13.7
68.99789	2.1
69.03423	2.5
69.07053	4.7
69.45168	1.0
71.01347	1.2
71.04980	4.6
71.55808	1.6
72.08196	1.0
79.05495	14.7
81.03413	11.9
81.07059	15.6
83.01350	11.5
83.04980	12.8
83.08621	12.0
85.02902	4.0
91.05480	11.9
93.07048	20.5
95.04965	5.2
95.08613	7.8
97.02882	5.0
97.06544	4.9
97.10137	1.4
98.97562	1.5
99.04433	4.5
103.05464	1.2
105.07032	8.9
107.04958	8.7
107.08604	12.3
109.02848	1.1
109.06519	5.7
109.10154	3.8
111.04459	6.3
111.08065	2.8
117.07008	8.0
118.04150	1.8
119.04945	1.4
119.08575	9.5
121.02882	1.5
121.06502	3.7
121.10161	9.5
123.08084	6.9
125.09616	1.7
127.03913	5.8
128.06256	1.1
129.06998	2.1
130.07806	1.2
131.04953	1.5
131.08565	4.3
133.10101	2.2
135.08127	2.5
135.11693	13.5
139.07582	1.6
140.01033	1.4
141.09138	0.9
143.08582	1.3
145.10124	13.5
147.08015	2.9
147.11638	2.1
149.09567	1.0
153.07011	3.2
153.12772	7.7
155.08432	1.4
163.11185	31.9
165.07048	1.8
168.00562	9.9
169.20412	1.1
173.09648	6.5
177.05434	1.5
181.06551	3.1
181.12207	8.0
184.05139	1.2
186.01614	4.6
191.10603	7.8
198.06836	1.4
209.11719	13.1
213.09160	2.0
217.04889	1.4
227.12820	8.9
240.04172	1.9
241.04820	1.2
241.08585	1.4
255.11171	1.3
258.05295	4.6
268.03659	1.4
269.08160	2.1
283.15411	36.7
285.03915	12.6
286.04730	88.9
301.03720	4.5
301.07080	100.0
301.10645	12.8
301.16635	2.2
301.21722	2.8
302.79156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
54.74594	1.2
55.01872	35.5
55.05513	34.9
57.03438	48.3
58.52942	1.1
60.02143	2.6
61.02919	3.4
65.03933	1.6
67.05503	30.9
69.03443	7.7
69.06790	1.2
69.07070	11.9
70.60143	2.3
70.60522	2.6
71.01318	1.5
71.04986	2.2
73.02917	15.6
76.96594	1.3
79.05071	2.5
79.05497	29.6
80.06261	1.3
81.03411	8.7
81.07053	28.1
82.04204	7.6
83.01332	2.5
83.04565	1.5
83.04988	19.6
83.08610	11.9
84.59391	1.3
85.02891	3.8
85.06522	1.9
87.04480	2.8
91.05482	16.3
93.07039	21.5
95.04957	13.1
95.08599	10.5
97.02881	4.8
97.06524	11.1
97.10166	20.7
98.07306	9.7
99.04489	1.9
101.06001	4.9
101.71869	1.4
105.07062	12.0
107.04958	6.4
107.08591	15.5
109.06509	4.6
109.10142	5.6
111.04449	2.9
111.08080	6.7
113.06012	2.1
115.05434	1.7
116.04713	44.2
117.06992	6.5
119.08587	8.9
121.06515	1.9
121.10134	5.7
123.08077	7.1
125.09627	18.1
126.10464	1.4
129.05481	100.0
129.07022	3.8
131.08571	7.0
133.10126	9.1
135.08057	4.0
135.11703	6.6
137.09627	2.8
143.07036	19.5
145.10129	5.5
147.11664	5.6
149.09598	4.2
153.06976	1.4
153.09047	3.0
157.08620	41.3
157.10078	5.1
163.11221	7.7
164.11980	2.7
165.12718	3.3
168.00562	3.9
171.10159	15.1
175.11226	4.1
180.37296	1.6
181.12231	3.6
185.11700	3.6
189.11234	29.2
191.10695	2.2
193.12238	4.7
199.13306	10.9
200.14090	11.3
209.11742	3.0
210.12503	2.8
227.12791	31.7
228.73926	1.3
255.15823	2.0
258.05215	1.7
283.15408	9.3
285.04028	4.5
286.04749	27.3
301.07089	32.1
301.10715	3.7
301.16455	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01867	6.9
55.05510	10.4
56.73206	0.7
56.96564	1.8
57.03446	6.2
57.07071	1.1
57.79716	0.7
59.04998	1.2
61.70246	0.7
65.03931	1.0
67.05508	14.2
69.03424	3.7
69.07071	5.6
69.90183	2.5
69.90597	1.5
69.93870	0.7
70.06591	0.9
70.80456	0.7
71.01369	0.9
71.04985	3.8
73.02891	1.5
79.05499	18.0
79.05900	0.7
81.03423	6.5
81.07056	16.5
81.47360	0.7
83.01336	2.9
83.04991	8.7
83.08622	10.7
85.02892	2.2
85.06543	1.3
86.09658	0.8
91.05477	8.8
93.03407	1.0
93.07045	26.2
95.04979	7.0
95.08607	23.0
97.02900	4.7
97.06016	0.7
97.06514	4.5
97.10185	1.3
98.20758	0.9
98.97583	3.8
98.98417	1.0
99.04472	4.8
103.05444	1.4
105.07036	8.7
107.04948	8.7
107.08598	18.6
109.02882	1.0
109.06516	3.3
109.10139	6.6
110.97557	0.9
111.04448	3.9
111.08067	2.6
116.98666	1.2
117.07027	5.3
118.04197	1.5
119.04977	1.5
119.08591	9.0
121.06519	4.4
121.10143	9.7
123.08065	3.1
123.11678	1.5
125.05998	1.5
125.09569	0.9
127.03909	4.0
129.05499	2.6
129.07008	1.7
130.07748	0.9
131.00124	0.9
131.04915	2.4
131.08598	3.8
133.10136	3.2
135.08052	1.9
135.11690	23.8
137.09583	1.0
139.07545	1.3
140.01048	1.5
143.08658	0.8
145.10127	21.0
147.11642	2.0
149.05975	1.2
149.09616	1.0
149.13203	0.9
153.07021	2.3
153.12776	3.1
158.99641	1.0
159.11732	2.5
161.09677	0.9
163.03941	0.9
163.11189	38.7
165.06976	1.5
168.00560	9.0
169.06216	0.9
173.09616	3.2
173.13388	1.3
181.06522	3.7
181.12256	8.4
185.13298	1.0
186.01587	5.8
191.03940	2.6
191.10571	3.6
195.08121	0.9
197.05867	1.2
198.06789	1.1
199.07539	0.8
209.06076	1.0
209.11694	7.3
212.04732	1.6
213.05374	1.0
213.09138	1.3
219.01761	2.2
225.05550	0.8
226.06233	1.3
227.12782	66.0
229.04808	0.7
237.02792	2.8
239.07251	0.9
240.04250	1.5
241.05084	1.3
241.08656	2.4
243.06627	0.8
258.05243	4.2
268.03708	0.9
269.08038	1.4
269.17316	1.1
273.03934	1.4
273.11349	1.2
279.03607	1.6
283.15421	42.1
285.03955	12.3
286.04721	81.6
301.03845	3.3
301.07077	100.0
301.10583	10.0
301.14160	3.4
301.21613	3.4
302.07416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98682	3.6
53.03947	10.0
55.01872	5.0
55.05514	31.1
56.96559	6.1
57.03428	12.9
65.03925	3.8
67.05181	6.0
67.05508	80.2
67.87675	3.3
69.03432	5.4
69.07069	27.7
69.54698	18.4
71.04972	5.8
73.06542	3.4
79.05497	90.9
81.03410	14.7
81.07059	59.3
83.04984	23.2
83.08619	14.1
84.30259	3.3
85.06529	10.4
91.05479	69.5
91.72049	4.4
93.06488	6.6
93.07050	94.6
95.04964	20.9
95.08604	36.5
97.02853	4.0
97.06522	19.2
97.10197	4.0
98.97574	9.7
99.00812	9.9
99.04461	3.8
105.07044	58.2
107.04923	6.5
107.08611	26.3
107.14912	3.3
109.02879	3.4
109.06515	12.2
109.10162	25.8
111.04443	4.8
111.08090	4.0
117.07011	12.7
119.08614	34.3
121.06492	6.3
121.10134	10.4
122.77724	3.8
123.08102	5.8
123.11710	5.8
126.97004	3.8
129.06998	24.8
131.08578	8.5
133.06532	4.1
133.10133	26.3
137.02357	4.4
143.08572	12.4
145.03439	4.6
145.10139	15.4
147.08026	4.4
147.11671	46.7
151.11197	14.4
157.10193	7.3
159.11711	7.5
161.09621	14.1
161.13226	20.4
163.03862	8.3
171.11723	32.2
175.14934	3.5
183.11748	6.3
189.09122	4.4
189.12784	16.8
203.07147	3.9
207.13844	35.4
209.11494	14.7
213.05534	4.0
215.04008	7.3
225.11194	5.3
233.05051	9.7
246.07362	8.5
253.19626	5.1
259.09769	6.3
281.17490	100.0
299.05573	9.0
299.11096	25.7
299.15027	17.7
299.20163	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	300.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63324	0.8
56.46646	0.8
56.96564	6.4
57.39422	0.8
70.89246	2.4
70.95847	2.6
71.95244	1.0
78.34954	0.9
86.39748	0.8
98.51067	0.8
98.97582	100.0
101.00888	2.1
102.00937	0.7
116.98620	44.5
119.01904	1.6
120.02011	1.3
121.01664	1.7
134.99652	15.5
144.05788	1.1
146.03648	1.3
155.07010	3.3
156.07404	2.1
158.07289	1.3
163.04556	1.4
172.05083	0.9
176.08344	1.8
177.00909	3.3
179.00758	1.4
186.06773	2.3
187.08316	1.0
188.08316	2.4
189.06064	2.1
190.06183	3.7
192.94765	3.9
201.00949	2.3
205.02386	1.1
210.95880	3.5
212.04640	1.3
214.06285	2.0
214.10051	1.1
219.02003	26.0
220.02106	2.9
221.01990	1.9
234.95836	5.3
235.03282	1.2
240.98669	4.4
252.96832	5.7
256.11075	1.8
258.08792	2.1
258.99731	80.5
260.00067	0.9
263.02884	7.8
263.86789	0.9
276.04495	0.9
276.97006	13.6
277.00821	86.5
277.04431	4.8
279.01312	0.9
282.99994	2.6
294.97989	8.8
299.98044	1.9
300.09964	39.2
300.18256	1.3
301.00998	4.5
317.98975	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77314	2.0
55.01867	3.2
56.96572	6.2
57.03439	7.1
58.99867	5.1
61.02922	7.3
62.06090	4.6
65.03940	3.5
66.47968	2.0
67.05499	5.6
68.98289	2.1
69.03448	12.9
70.06589	15.2
70.99868	9.4
72.08166	3.6
73.02920	11.5
77.00928	2.8
79.05510	2.5
81.03418	4.4
81.07063	2.6
82.99865	3.0
83.04999	2.6
84.04503	3.6
84.08158	7.3
85.02908	18.9
85.06536	4.6
86.48080	2.1
88.04003	2.9
91.04015	2.4
91.05479	19.6
95.05013	3.6
95.06103	11.2
97.02896	10.6
98.97585	34.7
101.00887	29.2
103.00700	3.0
103.07600	5.7
107.04969	2.7
109.02874	3.5
113.00881	2.8
115.02431	5.8
116.07095	2.7
116.98614	17.8
119.01929	59.3
119.04940	22.1
120.08099	8.3
121.06564	3.0
121.08604	5.5
127.03944	6.4
129.03337	5.2
131.01923	11.5
131.05009	4.2
133.01178	2.7
133.03471	38.7
133.06485	5.9
134.99622	4.7
135.04372	4.5
136.06223	8.2
137.02989	10.6
137.05884	11.6
138.05516	32.8
138.09146	49.7
143.01915	8.5
145.03549	2.6
146.03622	2.2
147.01399	2.2
147.04390	23.7
149.00566	12.4
149.02986	2.5
149.05919	2.4
151.04523	9.7
153.07405	2.8
155.01888	2.6
155.07068	4.6
156.99884	5.5
157.03471	4.2
158.99670	3.9
161.02951	15.1
161.06009	9.6
162.09178	2.7
163.03897	2.9
165.05481	2.1
168.05185	4.3
171.01421	12.5
173.02969	8.4
175.00887	48.4
175.03894	10.4
177.00841	3.2
177.05528	3.5
177.07870	6.5
178.00870	15.5
179.06995	3.1
181.03265	4.6
185.03011	4.2
186.06776	2.0
187.04614	2.6
188.08058	2.4
189.02466	35.4
189.05440	28.4
190.06158	4.5
191.03996	2.8
193.03258	100.0
194.07007	2.3
197.06676	11.6
199.00841	9.8
201.02350	2.6
202.06088	2.8
203.02327	2.3
203.04085	4.0
204.02742	2.1
205.05461	2.5
207.06599	13.8
212.04100	9.5
212.07611	2.1
213.04291	2.5
214.06197	3.9
217.01941	89.7
217.04036	4.7
220.02080	2.6
221.05046	3.6
223.06627	2.5
226.02338	2.4
230.05197	3.4
231.01649	2.5
231.03502	12.1
233.03036	2.4
234.07198	2.9
235.03027	56.9
240.03506	3.4
245.01485	5.2
249.04535	6.1
254.05031	11.5
258.08621	3.1
258.99722	15.0
259.03094	11.8
261.08191	2.7
263.02380	2.6
275.06412	2.2
277.00888	18.7
277.04086	25.3
279.09283	3.4
282.08044	10.3
286.04727	3.7
290.98886	3.8
300.06415	2.5
300.10007	48.1
300.13855	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67213	2.2
53.03940	3.6
55.01875	18.9
55.05511	35.6
57.02110	2.7
57.03188	3.5
57.03436	35.7
58.52990	2.3
67.05506	42.2
68.99784	3.4
69.03421	8.5
69.07071	23.8
69.61793	15.4
70.06591	11.8
71.04983	8.1
73.02911	6.8
79.05058	4.4
79.05495	45.3
81.03419	13.0
81.06602	2.6
81.07063	40.1
82.04195	4.4
83.01352	3.0
83.04988	24.2
83.08624	12.2
85.02906	6.2
85.06534	4.9
86.09699	9.1
91.05495	28.2
92.00139	2.5
93.06499	3.0
93.07050	46.0
95.04964	16.8
95.08619	22.7
97.02885	11.8
97.06529	19.8
97.10166	14.8
98.07282	5.7
99.04457	6.5
103.03995	2.7
105.07040	16.7
106.18565	2.2
107.04955	12.7
107.08592	28.2
109.06535	4.8
109.10143	11.3
111.04461	15.0
111.08084	7.8
113.06030	2.9
115.05473	2.6
116.04727	16.1
117.07018	9.9
118.04119	2.5
119.04912	3.2
119.08580	14.2
121.06498	5.5
121.10152	27.0
123.08079	5.4
123.11717	2.5
125.05995	3.9
125.09618	15.4
127.03870	3.4
129.05482	41.3
129.06969	2.9
131.08531	11.7
133.10133	11.0
135.08057	4.9
135.11707	26.0
139.11148	9.2
140.01111	2.9
143.07036	11.1
145.10129	19.0
147.08044	6.4
147.11702	4.1
149.05954	3.9
149.09598	7.5
153.12715	8.4
157.08640	21.3
157.09958	4.3
158.12703	2.8
163.11182	33.0
167.10690	4.7
168.00557	10.4
168.66068	2.4
171.10165	6.9
173.05931	2.5
173.09616	4.8
175.11198	4.4
177.05344	3.0
181.12262	12.2
185.11693	4.2
189.11264	10.3
191.10680	9.4
199.13298	5.3
200.14090	3.9
203.12718	5.2
209.11757	40.8
227.12814	41.1
228.61052	6.3
238.08746	5.2
258.78763	2.7
273.03839	3.8
278.53250	2.4
283.15393	39.0
285.03918	11.3
286.04733	85.5
301.03604	8.6
301.07077	100.0
301.10663	7.0
301.16501	78.2
319.21725	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.9
55.01857	4.1
55.05511	22.1
56.96553	3.9
57.03436	10.2
57.07064	3.1
58.36941	2.7
67.05502	55.4
67.44775	2.5
69.07071	13.3
70.29051	9.6
73.06589	2.5
79.05499	81.4
81.03403	8.2
81.07059	50.7
83.04996	14.2
83.08620	7.2
84.96046	2.6
85.06512	3.6
91.05477	80.4
93.07047	82.8
95.04967	16.3
95.08607	29.2
97.06510	5.8
97.10173	4.4
105.06393	4.4
105.07034	48.0
107.04943	9.1
107.08610	22.5
109.06509	8.9
109.10197	6.0
111.04497	3.4
116.06233	5.3
117.07021	12.2
119.04913	5.8
119.08588	39.6
121.06543	3.7
121.10132	18.5
123.08073	10.0
125.09683	3.6
127.07559	2.6
128.06215	3.1
129.07002	26.9
131.08574	43.1
133.10117	21.3
135.11670	5.7
137.09665	2.7
142.07751	3.3
143.08578	13.3
145.10130	14.3
147.08078	3.9
147.11696	50.3
149.09598	9.2
155.08566	4.3
156.09381	3.1
157.10141	6.5
159.08057	100.0
159.11691	4.5
161.09616	9.8
161.13245	12.0
171.11688	34.1
183.70023	2.9
189.12733	16.1
197.13223	5.3
199.11166	3.2
207.13817	31.0
221.13208	3.2
223.14816	3.1
281.17279	80.0
299.20096	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	15.5
53.03936	4.7
55.01866	9.8
55.05511	40.4
57.03438	30.9
57.07056	2.2
59.05008	8.2
61.97257	1.8
67.05501	25.4
67.82779	1.6
69.03418	5.3
69.07053	2.7
70.80495	3.2
70.80869	3.4
71.01344	5.7
73.02900	4.1
79.05495	20.2
81.03417	10.9
81.06608	1.7
81.07061	36.7
83.04970	5.8
83.08617	26.1
85.06528	3.3
91.05482	41.2
93.07040	30.9
93.49786	1.7
95.04948	9.4
95.08614	9.9
96.59686	1.9
97.02902	9.6
97.06528	5.7
97.10149	2.5
99.00814	55.5
99.04510	2.0
101.02302	1.7
103.05463	5.6
105.07032	38.2
107.04953	9.8
107.08601	13.8
109.02883	23.1
109.06522	6.4
109.10162	11.7
111.04433	3.8
111.08067	7.6
115.03923	7.4
117.07027	7.5
119.04905	1.8
119.08573	19.0
121.02934	2.1
121.06509	16.1
123.04419	4.5
123.11686	5.7
127.03878	5.5
128.06221	3.0
131.08595	3.6
131.74637	1.8
133.06497	2.6
133.10130	80.5
135.08041	3.4
135.11670	4.3
137.05873	3.0
137.09634	2.9
139.07567	8.5
141.05553	2.0
143.08545	10.0
147.08008	2.1
151.11171	31.0
161.09618	48.8
163.11151	1.8
165.09070	2.5
171.08092	8.3
179.10664	27.0
186.29892	1.7
189.09097	30.3
197.11761	13.5
207.10176	14.0
225.11206	47.3
243.12260	8.6
267.34058	1.7
299.14896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	10.8
53.03932	3.1
53.11049	2.1
55.01859	4.4
55.05279	2.6
55.05514	36.6
57.03202	1.9
57.03442	19.9
57.07037	2.1
59.04990	5.9
62.81711	2.1
63.44791	2.0
64.51657	2.0
67.05505	22.7
69.03436	4.0
69.07054	7.1
71.01344	5.4
71.04992	2.5
71.55843	3.7
72.24303	2.1
77.63734	2.0
79.05492	16.8
81.03402	8.6
81.07054	33.2
83.04971	6.7
83.08614	20.6
85.06542	3.2
91.05480	38.4
93.07043	27.7
94.32710	1.9
95.04959	5.8
95.08601	14.8
97.02895	7.2
97.06529	6.9
97.10188	4.4
99.00214	3.4
99.00819	42.4
102.78286	2.0
103.05446	2.9
105.07029	29.4
107.04969	11.3
107.08606	14.6
109.02872	18.4
109.06516	5.0
109.10157	11.0
110.93962	2.3
111.04443	3.9
111.08104	3.1
111.11713	2.2
114.52802	2.3
115.03922	7.4
117.07048	4.2
119.08600	19.8
121.06509	14.9
123.04447	2.8
123.08120	3.0
123.11680	3.5
127.03928	4.9
131.08562	3.0
133.06503	3.0
133.10135	60.8
135.08047	2.6
135.11685	3.3
137.05963	3.9
139.07533	6.2
143.08537	9.8
145.06525	3.7
151.11185	19.3
155.10455	2.4
161.09624	40.9
171.08051	6.5
179.10681	29.3
189.09108	29.7
197.11743	8.9
207.10179	9.0
225.11218	46.5
243.12303	7.4
299.14890	100.0
299.20248	4.6
299.23578	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	297.2425
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03934	1.6
54.63827	1.6
55.01853	2.2
55.05506	13.0
56.96564	8.0
57.03443	1.8
57.07064	4.7
67.05509	40.4
69.07070	15.0
69.16580	1.6
69.52101	6.0
69.52540	6.4
71.04984	5.2
71.08635	100.0
73.23319	1.7
79.05494	16.8
79.18464	1.7
80.09317	1.5
81.06599	3.1
81.07060	57.4
82.06905	1.7
83.04987	3.2
83.08627	11.2
83.48853	1.8
85.06561	2.6
91.05481	18.5
93.07052	18.9
95.08611	39.0
97.06514	6.6
97.10163	6.4
98.21491	3.7
98.97560	2.0
99.08096	77.4
100.20483	1.6
105.07038	18.4
107.08604	14.3
109.06567	2.4
109.10155	16.5
111.08102	4.2
111.11704	2.4
113.09604	2.1
117.06972	3.0
117.09137	2.1
119.08577	16.6
121.10136	14.2
123.11702	8.3
125.09644	2.0
127.11226	3.3
131.08551	6.9
133.10112	5.4
135.11734	8.8
137.13261	5.1
145.10144	8.8
147.11693	40.7
149.13257	5.1
151.11200	2.6
153.12720	6.2
159.11717	6.0
161.13286	6.0
163.11208	9.0
163.14824	15.9
165.12772	16.3
167.14304	3.1
169.12312	3.2
173.13277	8.1
181.15860	7.4
182.52296	1.7
187.14793	2.7
201.16400	2.8
207.19765	1.6
207.96109	1.7
216.10933	4.4
218.60963	2.6
233.22556	2.8
243.21103	15.4
244.14052	3.5
251.23795	2.7
255.64838	2.3
261.22113	27.2
262.22498	1.9
274.97607	2.8
279.23196	81.3
292.98361	2.0
297.18753	2.2
297.24377	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	298.0971
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
54.69306	0.2
57.42277	0.2
58.98765	0.2
61.00850	0.3
61.01151	4.2
62.96771	0.2
63.04831	0.2
69.03428	0.5
69.80496	0.7
69.80907	0.4
75.02704	1.9
84.13561	0.2
94.04068	0.3
95.83221	0.2
96.35979	0.2
97.02885	1.3
103.02142	0.4
119.03548	0.7
133.37935	0.2
136.06186	100.0
137.04550	0.4
137.06573	0.2
145.03178	1.2
163.04216	1.7
173.06522	0.2
237.37495	0.2
262.28625	0.2
298.09647	4.9
300.33179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.274
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
51.86645	0.4
52.69382	0.5
53.03940	1.3
53.80950	0.4
55.05511	8.6
56.05043	4.8
56.96560	0.5
57.07079	3.4
57.43873	0.4
58.02967	2.2
58.27082	0.4
60.04526	3.0
61.70645	0.5
65.03929	0.9
67.05511	16.1
68.05022	1.8
69.06727	0.7
69.07079	9.7
71.04978	0.5
71.08632	1.1
71.54816	0.8
72.04507	1.1
79.05499	8.9
80.05017	1.9
81.03436	0.7
81.07059	13.2
82.06586	6.8
83.04980	3.6
83.07340	0.5
83.08611	4.4
84.04498	1.9
84.08129	0.8
85.10187	0.6
86.06058	2.1
91.05485	6.7
93.07053	5.4
94.06560	2.9
95.04993	1.0
95.07338	0.7
95.08613	10.2
96.08117	1.5
97.06521	1.0
97.10168	2.2
98.06055	1.5
98.97580	2.5
100.07607	1.2
105.07055	2.9
107.08607	3.1
108.08080	0.8
109.10149	4.1
110.09667	0.6
111.04451	1.4
111.11715	1.0
112.07594	0.8
116.98625	1.7
119.08574	2.9
121.10155	2.6
122.09648	1.1
123.07992	0.6
123.11697	0.9
126.05525	0.6
126.09127	0.5
133.10165	2.3
134.99657	1.1
135.11713	1.1
147.11658	0.6
154.12265	0.7
191.17986	0.6
242.95026	0.5
250.25275	6.2
262.25336	3.8
263.23782	0.8
274.97498	1.7
280.26370	100.0
292.98547	1.2
298.13223	1.1
298.27359	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
53.03936	1.9
55.05513	14.2
56.05042	5.9
56.62968	0.7
56.65767	0.8
56.96570	7.6
57.07067	3.4
58.02955	2.5
60.04525	2.6
67.05508	17.4
68.05014	2.3
69.07066	13.3
69.26109	8.4
71.04987	1.7
71.08606	1.7
72.04500	0.9
79.05502	13.0
80.05022	1.6
81.03406	1.3
81.07059	17.4
82.06579	7.7
83.08624	8.7
84.08127	1.1
85.10195	1.2
86.06053	2.3
91.05470	8.5
93.07047	9.3
94.06561	4.5
95.04975	2.1
95.08617	14.6
96.08129	1.6
97.06538	1.5
97.10153	3.1
98.06041	1.8
98.21548	1.7
98.97585	12.9
100.07649	2.2
105.07027	4.8
107.08585	5.6
108.08128	1.6
109.10159	6.0
111.11725	1.3
116.98646	8.1
118.61787	1.0
119.08575	4.0
121.10149	4.3
122.09697	1.4
123.08086	0.8
123.11723	1.9
131.08591	2.4
132.72377	0.8
133.10112	3.4
134.99657	2.5
135.11694	2.6
136.06216	1.8
137.13264	1.1
138.39886	0.8
143.50385	0.9
147.11716	1.2
149.13261	1.3
173.13350	1.0
185.04594	1.0
191.17987	0.9
221.13678	0.8
227.11913	1.9
232.96518	1.4
236.12517	1.7
236.62546	1.4
247.63075	1.3
248.16043	1.1
250.25261	8.0
256.96387	1.4
257.12714	1.0
262.25348	2.4
263.19864	0.9
266.13571	1.1
274.97522	11.1
280.26361	100.0
292.98538	4.4
297.99127	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
50.02174	2.2
53.03945	6.9
54.08993	3.0
54.74247	2.7
55.01863	6.4
55.05510	51.5
56.96571	7.3
57.03436	10.3
57.07073	20.7
60.08167	8.3
65.03947	3.1
67.05505	80.9
67.28923	2.8
69.03435	4.9
69.07068	66.5
69.65820	6.0
69.66228	11.4
71.05008	6.8
71.07364	2.9
71.08631	60.6
73.70294	2.6
77.46386	2.8
79.05492	51.2
81.03424	18.2
81.07055	93.6
83.04996	11.7
83.08619	46.3
83.09114	3.0
85.06557	8.7
85.10184	2.9
86.09708	36.5
91.05489	34.4
93.07043	56.7
95.04987	16.0
95.08606	61.3
97.06541	10.4
97.10176	43.7
97.88094	2.6
98.98464	5.8
99.08091	54.6
99.08681	4.0
104.10757	4.0
105.07039	30.0
107.04977	4.3
107.08591	43.7
109.06536	9.8
109.10171	37.1
111.08108	11.6
111.11735	9.1
113.09672	2.9
117.07060	6.5
119.08574	24.2
120.08939	3.0
121.06564	5.7
121.10155	25.3
123.08075	17.8
123.11726	16.6
124.99998	25.3
125.09650	21.9
129.07040	5.4
131.08580	7.7
133.08644	2.9
133.10149	20.7
135.08101	10.7
135.11659	23.6
137.09608	6.0
137.13264	5.5
139.07581	3.5
139.11186	4.4
143.08585	2.9
145.10106	14.1
147.08069	3.3
147.11694	15.4
149.13286	15.5
151.11185	48.1
157.10182	5.7
159.11713	7.3
161.13252	16.8
163.11172	16.6
163.14830	5.0
165.12776	7.4
171.11732	7.2
173.13284	4.7
175.14867	10.0
177.12798	6.0
177.16280	2.9
179.14294	18.9
184.07352	81.3
185.07585	3.7
185.13377	5.0
189.11269	14.2
189.12822	6.3
189.16400	4.0
193.16029	3.3
199.14844	3.2
203.17958	2.9
221.18945	3.0
231.17683	3.5
231.21138	4.2
235.16924	3.8
241.19589	9.8
259.20575	11.4
259.24405	5.5
277.21655	100.0
277.25174	8.4
284.15958	2.9
289.39429	3.1
295.06323	2.9
295.09903	4.7
295.13232	6.0
295.22849	19.6
295.25677	2.9
318.54803	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	296.1129
Annotation	Nitrothal-isopropyl
Peak:m/z	Relative Intensity
53.03939	1.4
55.01876	4.1
56.96555	1.2
65.03937	1.5
67.05510	6.7
69.03429	1.2
69.28182	4.6
70.06578	0.5
73.02930	0.6
79.05496	0.6
81.03414	2.3
81.07056	0.8
85.02890	1.1
86.09729	0.7
91.05487	1.5
93.07037	0.8
94.06535	0.5
95.04975	20.1
96.04471	0.9
97.02880	0.8
98.20705	1.1
98.97594	6.3
105.07031	1.3
107.04958	0.7
107.08598	0.8
110.50840	0.6
116.98621	2.0
117.05737	0.5
118.06550	2.4
118.07258	0.5
119.04948	0.6
119.08605	2.6
120.08099	1.2
123.04436	16.9
130.06508	0.7
131.04922	0.8
132.04436	2.2
133.05191	0.5
133.10129	2.1
134.05991	1.7
135.11671	0.6
136.07706	0.4
138.05502	0.7
138.09013	0.5
144.08064	0.8
146.06009	6.0
147.04443	1.3
152.07132	1.1
158.99686	3.9
162.05496	1.0
164.07082	5.2
165.07845	1.3
172.07468	1.1
173.08246	0.6
174.05499	1.3
175.03922	1.1
175.14842	3.4
177.00758	2.2
177.07727	0.6
177.12975	0.5
178.08627	3.8
179.09357	0.6
180.06555	2.1
189.05434	3.4
190.08672	3.9
192.06613	1.4
197.06750	1.0
197.08325	3.2
200.04295	0.6
200.07074	1.5
202.08621	0.8
204.06602	2.7
205.07361	3.3
206.08078	5.3
208.05994	0.5
208.09724	1.3
210.07602	0.8
215.09340	1.8
218.08122	7.0
219.01799	2.2
219.08878	0.7
222.07672	1.7
223.08276	0.6
224.09219	2.3
225.07637	1.1
233.07043	0.5
234.07607	1.0
235.08473	0.9
236.09175	16.5
237.09782	0.9
246.07661	4.4
250.10719	7.2
250.12965	0.8
264.08667	7.3
266.10208	1.7
268.11826	0.8
275.09375	0.5
278.10266	6.4
295.61292	0.8
296.11313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
52.47497	1.7
53.03946	2.0
54.27288	1.9
55.01859	6.9
55.05513	71.6
55.30914	1.8
56.96563	6.6
57.03445	4.4
57.07080	11.4
60.03462	1.7
67.05508	84.0
69.03433	5.2
69.07069	54.2
71.04977	5.8
71.08629	8.9
79.05493	38.1
81.07059	93.8
83.04976	8.6
83.08158	2.9
83.08624	37.5
85.06541	7.8
91.05500	10.9
93.07046	39.3
93.87270	2.0
93.95806	2.0
95.08612	72.9
95.96056	1.9
97.06523	12.1
97.10176	48.7
98.21571	3.8
99.08096	8.4
105.07029	15.6
107.08604	40.3
109.06490	2.6
109.10154	53.4
111.08106	3.9
111.11728	5.6
117.07018	5.5
119.08575	11.2
121.10136	17.5
123.08071	3.1
123.11701	17.5
125.09632	29.6
127.11191	2.1
131.08543	10.0
133.10138	9.6
135.08060	4.2
135.11690	25.7
137.13289	12.1
143.10674	2.3
145.10110	8.2
147.11690	11.9
149.13264	11.2
151.14885	6.8
153.12743	14.5
157.10120	2.2
159.11673	9.7
161.13292	9.0
163.14847	7.2
165.12823	3.1
171.10188	3.5
173.11858	3.8
173.13271	12.7
175.14908	4.3
177.16338	2.4
179.14395	2.7
183.13835	16.3
187.14772	9.6
189.11220	23.8
189.16435	3.8
191.14253	2.6
195.13786	3.9
199.14830	2.5
201.16435	4.8
209.15320	3.6
223.16885	4.8
227.17836	2.4
233.22592	4.0
243.21060	12.4
251.23666	4.3
255.65115	2.2
261.22131	29.4
273.74432	2.0
279.23199	100.0
280.23178	2.2
297.18835	2.7
297.25558	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03950	3.3
55.05513	21.0
57.07063	4.2
58.74868	3.5
62.73470	2.8
65.03957	4.0
67.05183	5.1
67.05510	65.1
69.07072	17.0
69.86554	15.8
71.04992	3.2
71.08632	44.6
79.05499	50.1
81.03413	6.3
81.07061	55.3
83.04977	13.5
83.08625	16.4
85.06535	5.1
91.05499	18.5
93.07049	64.8
95.04970	8.1
95.08607	43.1
97.06541	9.0
97.10152	11.9
99.08096	31.8
105.07039	16.3
107.04948	7.6
107.08599	33.0
109.06550	5.6
109.10156	28.3
111.08096	4.3
117.07015	5.6
119.08595	17.3
121.10149	35.5
123.11697	3.3
125.09608	8.0
131.08554	5.7
133.10117	9.0
135.11699	45.2
141.09058	5.2
145.10109	5.5
147.11732	4.2
149.12244	3.7
149.13226	17.9
151.11206	12.7
159.11688	4.3
161.09641	3.1
161.13243	15.5
163.11116	7.0
163.14786	4.0
177.12811	4.2
179.14320	100.0
189.12746	4.5
205.66226	3.1
235.16855	4.7
249.31050	3.2
259.20499	5.1
277.21625	59.9
295.22778	5.4
299.29269	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	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03944	11.0
55.01863	5.2
55.05510	23.5
55.87118	1.4
56.96558	2.4
57.03445	1.7
57.07061	5.6
65.03923	1.9
67.05509	45.2
69.03410	1.6
69.07071	39.7
71.04977	2.9
71.07182	3.1
71.08615	6.2
79.05075	1.9
79.05496	29.6
81.03420	49.7
81.07059	49.9
83.04987	14.8
83.08622	10.9
85.06541	2.9
91.05483	17.8
93.07051	36.1
95.04967	29.1
95.05556	2.0
95.07999	1.4
95.08609	27.1
97.06534	5.6
97.10162	6.3
97.10735	1.5
99.08111	6.9
105.07032	18.5
106.29443	1.5
106.69189	1.2
107.04931	1.7
107.08595	21.9
109.06522	6.4
109.10154	12.8
111.08064	3.9
113.09626	1.7
114.66502	1.5
117.07014	1.9
119.08577	13.8
121.06507	2.7
121.10123	10.9
123.08054	3.1
123.11704	6.9
125.09669	6.9
129.07011	1.5
131.08521	5.4
133.10144	17.7
135.08057	2.6
135.11691	13.0
137.13240	4.4
143.08574	3.1
145.10106	4.2
147.08029	2.3
147.11702	11.6
149.13231	8.0
151.11185	42.3
153.09079	4.1
157.10155	3.5
159.11720	2.5
161.13269	8.7
163.14789	3.5
165.12766	6.6
171.10231	1.3
171.11682	3.9
173.13205	1.6
175.11156	2.6
175.14825	5.2
179.14310	15.1
189.12778	2.6
193.12216	5.0
195.13663	1.6
207.13768	3.8
221.15215	1.8
231.21089	8.8
241.19525	6.5
249.22202	3.8
259.20554	9.4
277.21631	100.0
284.68878	1.4
295.13376	1.9
295.22638	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.25543	1.4
53.03936	5.0
53.74435	1.2
55.01880	16.7
55.05271	2.6
55.05515	32.7
55.90641	1.4
56.96572	2.3
57.03432	3.5
57.07065	6.9
58.17038	1.6
58.30772	1.7
64.81438	1.6
65.03920	2.5
66.60303	1.4
67.05506	54.2
69.03419	4.3
69.07071	25.1
70.69974	3.4
71.04993	4.4
71.08636	24.8
77.01344	1.5
79.05495	34.0
81.03414	12.9
81.07059	47.0
81.62306	1.4
83.04987	11.7
83.08614	21.2
85.06539	3.9
85.10174	6.8
91.05485	27.7
93.07048	36.4
95.04965	13.3
95.07993	1.8
95.08607	35.6
97.02889	1.7
97.06521	11.9
97.10179	15.4
98.21463	1.5
98.97572	4.4
99.08093	24.3
105.07032	22.2
107.04944	4.5
107.08598	23.2
109.06504	3.7
109.10159	19.7
111.08082	15.1
113.09647	5.3
117.07021	5.2
119.08578	16.1
121.06522	2.9
121.10154	16.1
123.08065	8.1
123.11706	7.0
125.09622	11.2
128.65950	1.8
129.07045	2.1
131.08554	6.5
133.10135	11.4
135.08087	3.7
135.11703	12.9
137.09622	8.3
139.11180	6.7
143.08583	1.9
145.10117	5.6
147.11681	17.9
149.02330	4.5
149.09593	4.8
149.13246	12.1
151.11185	23.7
153.09103	1.8
153.12769	3.2
157.10101	4.2
159.11731	3.0
161.13281	12.7
163.11212	10.2
163.14833	2.5
165.12769	12.9
171.11676	3.3
173.13271	3.4
175.11134	2.7
175.14810	5.3
177.12834	2.0
179.14301	7.3
181.12210	3.3
185.13271	3.1
189.11293	7.8
189.12766	2.7
193.15761	1.8
197.13324	2.0
199.14748	2.4
207.13855	2.1
221.15359	3.7
231.21056	4.4
241.19496	10.0
249.22203	9.0
259.20596	11.3
274.09708	2.2
277.21640	100.0
295.22702	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.02385	0.2
53.10136	0.2
55.01874	0.2
55.05495	0.4
56.96565	0.3
57.07071	0.5
66.42566	0.2
67.05498	0.8
69.07079	0.2
69.23120	0.7
69.23544	1.2
71.08620	0.6
79.05491	0.8
81.07066	2.0
87.90526	0.2
91.05487	0.7
93.07014	0.4
94.04203	1.7
94.07341	0.2
95.08617	0.3
95.39792	0.2
97.10148	0.2
98.20753	0.4
105.07033	0.4
107.04953	0.4
107.08623	0.4
108.08913	0.4
109.06562	0.2
109.10181	0.2
114.45023	0.2
121.10167	0.4
122.03659	6.2
123.11702	1.6
133.10098	0.2
137.05986	100.0
138.06348	0.3
152.11697	0.2
152.32188	0.2
153.79247	0.2
158.15450	1.0
170.15424	2.3
184.83762	0.2
251.58759	0.2
253.03214	0.2
262.15027	0.2
276.20361	1.2
294.21460	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	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03941	1.9
55.01870	3.5
56.96553	3.0
57.03156	2.1
57.03440	43.1
59.04992	5.1
61.02925	11.2
69.03433	100.0
70.06860	5.1
71.01357	6.5
71.04994	2.6
73.02921	55.8
75.04485	1.5
79.05495	2.2
81.03422	14.9
81.07008	2.0
83.01331	1.4
83.04974	2.0
83.05420	1.3
83.69979	1.5
85.02910	73.4
86.09711	1.7
87.04475	34.6
91.05476	12.7
92.05793	1.4
93.07049	1.6
95.04948	2.9
97.02896	77.2
98.97569	6.0
99.04460	10.0
102.96870	7.3
103.03938	8.0
105.07043	2.1
107.04940	1.4
109.02864	7.3
111.04461	3.0
114.96838	1.3
115.03938	87.0
116.98537	2.0
117.05537	1.5
119.04962	1.8
119.08584	1.6
120.97928	3.3
121.02805	1.5
123.04419	2.1
127.03934	16.4
131.04918	1.4
131.08603	1.4
133.04970	53.1
136.07590	2.6
137.02386	1.5
139.03929	2.3
142.66753	1.4
145.04962	25.8
147.04463	1.7
149.05992	1.8
151.03888	4.8
158.99651	2.8
161.04504	2.0
163.03893	1.8
163.06015	3.9
165.05475	2.3
169.05002	4.3
177.00661	1.8
177.05392	2.7
181.99458	1.5
187.06073	1.4
192.99922	1.5
193.04941	2.3
211.06015	2.8
214.58473	1.4
219.01781	1.9
221.05962	3.4
229.07138	3.3
241.07007	7.1
253.02104	2.3
259.08051	4.0
269.03278	1.6
276.53201	1.4
277.09161	7.8
290.52899	1.3
295.06006	3.1
295.10760	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	295.2268
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03942	7.9
55.01876	31.2
55.05270	4.8
55.05517	56.1
56.96567	11.5
57.03444	3.9
57.07084	5.6
57.44577	3.5
67.05507	77.8
69.03416	6.6
69.07074	38.8
71.04984	10.5
71.08634	38.9
72.47873	3.2
79.05495	43.5
81.03415	12.1
81.07059	78.2
83.04999	19.3
83.08614	31.3
85.06532	3.8
91.05489	33.9
93.07046	56.4
95.04983	24.0
95.08615	48.9
97.06530	15.6
97.10160	16.0
99.08092	34.3
105.07037	26.6
107.04959	4.1
107.08610	42.0
109.06562	6.6
109.10175	21.3
111.08088	33.8
113.09644	4.4
117.07013	7.4
119.08609	20.3
121.10137	23.2
123.08056	4.9
123.11720	10.4
124.51102	3.3
125.09610	17.3
129.07001	7.1
131.08553	7.8
133.10139	24.1
135.08052	3.9
135.11671	18.9
139.07538	4.7
139.11166	12.9
145.10068	7.8
147.11665	14.3
149.09579	5.7
149.13275	18.3
151.11205	26.8
157.10172	7.3
159.11678	6.7
161.13298	16.5
163.11188	11.1
163.14798	8.7
165.12750	12.3
171.10226	5.0
171.11681	7.2
173.13173	4.2
175.14771	7.3
177.12787	4.4
179.14331	14.6
181.12080	4.5
185.13231	6.4
189.11209	12.5
193.12312	4.5
195.13795	6.6
225.68985	3.2
231.20955	5.4
241.19562	9.0
249.22104	4.6
249.38860	4.1
259.20587	16.5
263.14816	5.1
272.15280	6.7
277.21646	100.0
295.22766	51.2
312.06531	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03949	3.7
55.01875	37.3
55.05280	4.5
55.05518	64.9
56.96553	4.7
57.03442	3.6
57.07071	9.4
62.51419	2.5
62.87714	2.5
67.05507	81.8
69.03414	6.2
69.07068	36.8
69.45197	11.2
69.45621	8.6
71.04992	7.9
71.08633	24.3
79.05502	56.7
81.03419	11.1
81.07059	86.0
83.04986	16.9
83.08625	47.9
83.09400	3.4
85.06544	8.0
85.10179	9.8
91.05486	40.8
93.06493	5.1
93.07052	69.5
93.07630	3.8
94.86977	2.7
95.04990	19.1
95.08609	57.0
97.06534	14.5
97.10162	17.4
99.08094	21.4
105.07034	37.8
107.04941	5.4
107.08606	32.4
109.06538	10.8
109.10160	20.1
111.08092	49.1
113.09657	8.5
117.07034	7.2
119.08604	26.8
121.06512	3.1
121.10163	30.1
123.08042	5.6
123.11687	6.9
125.05981	2.9
125.09618	13.7
129.06998	6.2
131.08572	12.1
133.10141	38.0
135.08109	4.8
135.11690	26.6
137.09615	4.1
137.13211	3.0
139.11108	13.7
143.08566	8.0
145.10150	8.0
147.08069	5.0
147.11716	20.1
147.97482	2.8
149.09567	7.8
149.13231	22.6
151.11185	23.2
153.09065	3.7
153.12752	2.8
157.10118	5.5
159.11691	9.9
161.13248	13.9
163.11220	8.7
165.12743	21.3
171.11661	5.2
173.13306	6.9
175.11183	8.1
175.14851	5.3
177.12828	6.1
179.14325	7.9
185.13316	5.6
189.11183	16.1
193.12271	5.2
195.13811	12.9
207.13951	4.0
221.15239	4.8
231.21034	4.5
241.19518	6.4
243.81111	2.9
249.22165	6.4
259.20551	12.9
267.09024	5.1
277.21674	100.0
285.10056	5.6
295.22681	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03944	2.0
54.65036	0.6
55.01864	1.3
55.05510	19.6
56.96561	1.7
57.03434	1.0
57.06792	0.8
57.07074	13.0
65.03936	1.0
67.05503	21.5
69.03438	0.7
69.07066	34.2
71.04975	1.7
71.08621	6.5
79.05489	14.1
81.03457	0.8
81.07052	100.0
83.04977	2.5
83.08614	21.5
85.06535	2.0
85.10184	3.9
90.68175	0.6
91.05467	4.6
93.07040	18.0
95.04984	4.3
95.08604	48.7
97.06520	5.4
97.10161	12.4
98.20701	1.0
99.08096	1.6
105.04508	0.7
105.07011	4.9
107.04969	1.0
107.08588	19.6
109.06519	3.7
109.10155	30.7
111.08093	3.3
111.11724	6.0
117.07023	0.7
119.08575	2.8
121.06542	0.7
121.10131	11.4
123.08076	2.4
123.11694	12.6
125.09621	2.8
125.13268	2.9
131.08594	1.7
133.10143	2.3
135.08072	1.1
135.11667	8.6
137.09634	0.8
137.13254	5.3
139.11171	1.8
139.14827	0.8
143.08511	0.7
144.58086	0.8
145.10170	1.1
147.11656	1.6
149.09615	1.9
149.13252	18.6
151.14821	3.1
153.12759	0.7
161.13168	0.9
163.14819	7.3
165.16428	1.9
167.14287	1.1
171.11806	0.7
177.16402	2.6
179.17958	2.6
187.14851	0.6
191.14087	0.7
191.17996	1.6
205.19591	1.4
219.17450	1.3
219.21107	1.6
223.13252	0.9
237.14815	1.2
249.25746	1.0
270.12665	0.8
275.20056	6.9
275.27319	8.6
293.21115	9.2
293.28363	33.9
311.49155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2838
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03931	3.4
55.01868	1.4
55.05270	2.1
55.05513	27.0
56.96558	3.6
57.03428	1.4
57.07080	14.6
59.05001	3.7
60.19545	1.4
64.81519	1.3
67.05508	37.4
69.03416	2.2
69.07070	52.3
71.04991	5.1
71.08627	6.5
79.05501	13.5
79.23611	1.4
81.03409	1.8
81.07056	92.6
83.04955	3.5
83.08157	2.3
83.08616	31.6
85.02914	3.7
85.06541	14.9
85.10187	3.3
87.04480	2.6
91.05494	8.8
91.84911	1.4
93.07052	19.0
95.08611	100.0
97.06521	6.5
97.10173	19.3
98.20763	4.3
98.97585	12.0
99.08089	10.4
105.07010	3.4
107.08598	21.3
109.10159	75.2
111.08055	5.9
111.11715	14.2
113.09619	2.7
116.98614	4.6
119.05008	7.1
119.08543	2.6
121.10154	14.2
123.08007	1.8
123.11714	43.4
125.09663	3.7
125.13251	4.0
129.06984	2.0
131.04919	2.0
134.99620	1.8
135.11702	10.3
137.13260	26.8
139.11177	4.2
139.78500	1.3
147.04414	40.3
149.13268	18.0
151.14801	8.0
153.12727	3.1
157.10130	1.9
163.14825	8.6
165.16379	6.3
167.14296	4.1
173.02377	1.8
179.17987	4.1
180.39113	1.4
185.09663	2.4
191.17932	2.6
193.19452	2.0
205.19507	3.3
212.53685	1.5
215.06308	2.1
219.21071	3.6
238.19461	1.5
247.06046	3.7
249.25822	3.1
275.05548	5.4
275.20038	4.2
275.27283	13.2
293.03268	3.4
293.17236	5.7
293.21106	4.8
293.28387	63.6
311.04358	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	294.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01861	2.9
55.05513	24.7
56.96566	2.5
57.03433	4.0
57.07087	1.4
59.05003	100.0
67.05511	8.2
69.03427	2.2
69.07071	7.9
71.04992	9.1
79.05498	6.6
81.03419	2.7
81.07067	9.6
82.07360	1.4
83.04985	3.1
83.08624	13.5
85.02904	6.8
85.06514	1.5
86.21438	0.9
87.04475	41.1
89.06045	2.4
91.05476	2.8
93.07057	3.5
95.08611	4.4
96.08924	1.5
97.02875	2.1
97.06549	2.2
97.10179	20.9
98.97575	2.8
99.04474	4.1
99.20424	1.1
105.07031	1.8
107.04983	2.1
107.08596	7.0
109.10174	4.2
110.10475	1.2
111.04459	1.5
116.22341	0.9
116.98605	1.1
117.05560	1.1
119.08618	1.3
120.05240	0.9
121.10126	2.5
125.09639	13.4
129.06993	1.0
131.05025	1.1
135.11705	2.2
143.10693	2.1
145.10120	2.4
147.04420	3.6
148.04720	5.1
149.13274	2.1
153.12758	2.0
155.10600	1.7
163.03978	1.0
163.11200	3.0
173.11761	4.9
275.58069	1.1
294.21390	1.5
294.28830	2.9
295.14978	1.7
301.11316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	7.5
55.01873	23.3
55.05516	15.3
56.96559	12.2
57.03434	3.5
57.07056	3.8
60.66391	2.0
64.15856	1.9
67.05505	42.5
69.03423	2.8
69.07069	27.4
70.67645	1.7
71.04962	4.1
71.08617	1.8
71.56298	2.5
71.56667	2.0
79.05489	43.7
81.03419	12.2
81.07050	78.3
83.04971	5.2
83.08617	12.1
85.06537	3.7
91.05482	26.0
93.07039	29.9
95.04956	16.1
95.08600	30.0
97.05910	3.5
97.06511	33.7
97.10146	4.6
98.97582	5.8
98.98368	2.0
99.08073	3.6
105.07028	30.7
107.04925	12.4
107.08592	26.6
109.06510	31.0
109.10168	11.8
111.08080	4.5
117.07018	11.9
119.04896	3.5
119.08577	28.2
121.06492	7.6
121.10118	12.7
123.08072	11.7
123.11688	6.3
125.09621	3.3
129.03392	2.7
130.07661	2.0
131.08580	16.4
133.06517	2.6
133.10121	19.9
135.08028	5.1
135.11690	8.4
137.09589	5.4
139.07454	2.5
141.06963	2.9
143.08516	3.6
145.06442	2.1
145.10130	14.8
147.04398	8.6
147.07967	2.3
147.11682	14.0
149.09618	17.8
149.13231	7.9
151.11159	8.4
157.10155	4.4
159.08083	2.5
159.11693	12.9
161.09537	2.9
161.13242	5.9
163.11235	10.0
163.14709	2.5
165.09109	5.7
165.12811	4.7
169.10222	3.4
171.11671	4.0
173.13211	4.3
175.11153	4.4
177.12674	6.0
179.14204	3.5
183.11731	3.4
187.11168	5.4
187.14867	4.7
189.05437	8.2
193.12085	3.5
197.13412	2.3
215.14294	2.2
219.13962	2.2
229.07449	4.0
229.19574	3.8
239.17979	4.1
247.20523	7.7
251.04369	2.3
257.19016	12.4
265.21542	2.4
275.20044	100.0
293.21149	46.5
293.28302	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05512	8.8
57.07070	2.8
65.03943	2.7
67.05508	90.0
69.07066	9.2
69.22983	2.7
69.23407	3.4
71.05013	0.8
79.05494	12.7
80.06270	0.6
81.07059	100.0
83.04958	1.2
83.08621	5.7
85.06543	2.5
91.05475	5.0
93.07045	11.8
95.04971	1.0
95.08613	74.4
97.06540	2.9
97.10169	3.4
97.88010	0.6
98.20794	1.2
105.07011	3.7
107.08604	8.2
109.06517	1.5
109.10161	43.4
111.11749	1.1
117.07027	2.3
119.08592	3.6
121.10155	7.6
123.08084	2.1
123.11709	27.7
125.09603	1.7
131.08563	4.5
133.10124	3.4
135.08022	0.7
135.11691	5.9
137.09630	2.6
137.13258	10.7
139.11197	0.6
141.09117	0.7
145.10127	2.6
147.11626	3.0
149.09537	1.3
149.13255	3.9
151.11166	2.1
151.14836	2.9
153.12802	0.7
159.11726	2.7
161.13225	3.1
163.11195	1.8
163.14848	3.0
165.12773	2.5
165.16389	1.0
173.13258	4.6
175.14742	0.9
177.12769	2.2
177.16423	1.9
179.14311	1.8
187.14851	4.1
191.10596	1.3
191.14320	2.1
194.99960	0.7
195.10239	0.7
195.13907	1.0
201.16441	1.0
205.15791	1.5
209.11772	1.7
209.15297	1.3
219.17479	1.1
219.21031	0.9
223.16823	0.9
233.22659	0.6
237.11279	3.3
237.18526	2.2
239.75011	0.6
243.21051	7.4
251.20090	0.9
261.22183	8.0
293.21219	1.4
293.24756	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.42299	1.8
53.03937	3.1
55.01864	6.8
55.05513	17.6
57.03439	15.4
61.39827	2.1
62.08380	1.9
67.05507	24.6
67.41083	1.9
68.29739	1.9
69.07069	21.8
69.12727	2.0
69.42068	17.5
71.05010	2.7
79.05496	46.4
81.03406	3.4
81.07059	30.5
83.04987	3.4
83.08620	7.6
85.06540	4.9
90.04234	2.1
91.05484	30.4
93.06495	2.7
93.07050	43.3
95.04967	13.2
95.08608	20.5
97.06528	14.6
97.10165	7.2
105.07041	42.2
107.04984	4.8
107.08595	42.5
109.06516	9.4
109.10153	7.0
111.08057	4.3
116.42297	2.3
117.03384	2.2
117.07022	13.4
119.08588	30.1
121.06497	3.0
121.10140	13.5
123.08112	4.6
124.52164	1.8
125.09624	5.0
129.07034	5.7
130.82657	2.1
131.08578	13.4
133.10132	22.2
135.04369	2.4
135.08060	4.0
135.11646	5.6
137.09573	3.0
142.31947	2.2
143.08568	6.1
145.10109	14.9
147.11682	18.2
148.38281	2.3
149.09602	10.7
149.13239	2.7
151.11206	4.8
157.10127	3.8
159.11679	14.5
161.13268	7.8
163.03894	12.6
163.11159	4.7
164.04263	11.5
165.04472	16.3
165.09042	3.3
169.10095	2.7
171.11765	3.1
173.13252	4.4
175.11203	3.5
175.14830	2.2
177.05453	5.4
178.06200	2.6
183.11786	2.8
185.13272	18.3
185.49594	2.2
189.11285	3.7
201.16373	3.9
203.14363	16.8
219.17448	25.8
221.15390	20.5
224.30815	2.2
233.11746	5.1
237.14828	4.7
239.17990	9.5
247.20618	2.9
257.18991	15.8
275.20059	100.0
293.21127	23.2
295.89111	2.0
306.77209	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03948	28.9
55.01869	15.4
55.05516	26.4
58.93061	3.1
59.40388	4.0
67.05503	46.9
69.07076	47.8
69.54362	6.6
69.54771	17.2
71.05006	4.6
79.05500	47.7
81.03428	60.7
81.07063	78.7
83.04975	12.7
83.08615	11.0
91.05489	68.1
93.07058	42.6
95.01337	10.7
95.04997	20.5
95.08621	55.0
97.06541	26.4
98.20758	4.4
105.07040	100.0
107.04971	31.3
107.08595	20.8
109.06522	7.5
109.10152	13.4
115.67078	3.1
117.06995	19.3
119.08592	48.7
121.06481	5.9
121.10140	9.8
123.08083	14.1
131.08562	28.2
133.10159	62.9
135.08052	7.0
135.11713	12.5
145.06508	8.3
145.10133	18.6
147.11696	19.9
149.09657	8.2
149.13261	6.2
157.10226	4.5
159.11687	20.4
161.13251	8.2
163.11180	4.5
169.10204	6.4
173.13229	4.2
177.12749	10.3
179.14314	17.2
187.11229	14.3
219.17410	9.6
223.13348	5.4
237.11177	3.7
238.52267	4.0
239.17894	3.8
241.14375	4.5
257.18985	11.2
275.20081	98.4
293.21127	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03952	8.4
53.34075	1.5
55.01874	15.6
55.05272	2.5
55.05513	31.0
56.96548	2.6
57.03438	3.9
57.07080	15.1
59.05001	1.5
65.03934	3.0
67.05508	60.8
68.29758	1.7
69.03420	2.5
69.07070	27.3
71.04996	9.4
71.08642	2.9
71.40953	1.7
71.41292	2.2
78.43848	1.5
79.05494	36.5
81.03424	23.3
81.07063	61.4
83.04995	12.4
83.08220	1.7
83.08627	17.5
85.06549	11.4
85.10180	3.1
91.05490	31.3
93.06490	2.5
93.07050	39.8
95.04974	28.4
95.08613	44.1
97.02886	3.3
97.06548	12.2
97.10179	5.6
98.97557	1.9
99.04453	2.3
99.08103	2.1
105.04523	1.4
105.06400	2.6
105.07041	35.2
107.04964	12.6
107.08601	34.0
109.06534	11.4
109.10171	27.4
109.80263	1.6
111.04442	14.5
111.08071	7.2
113.09624	3.4
117.07014	8.4
119.08592	26.9
121.06494	8.0
121.10149	18.4
123.04424	4.6
123.08068	19.5
123.11703	6.7
125.09637	4.7
127.07513	2.3
129.06955	2.2
131.08565	13.0
133.06497	2.6
133.10135	27.5
135.08058	6.4
135.11713	14.9
137.09627	53.5
139.11197	1.8
141.06952	1.6
143.06711	1.4
143.08536	3.5
145.06465	1.9
145.10114	13.3
147.04449	2.3
147.08032	2.5
147.11694	12.2
149.09624	11.6
149.13260	6.0
151.11188	20.1
153.12740	4.9
155.08514	1.9
157.10175	2.0
159.08069	2.1
159.11700	10.7
161.09625	3.3
161.13246	5.3
163.11186	10.3
163.14803	5.9
165.09084	11.1
165.12767	2.8
167.10660	3.3
169.10118	1.7
169.12317	3.1
171.11696	2.2
173.09657	2.0
173.13258	6.1
175.11119	1.5
177.12750	5.0
179.10654	3.4
179.14392	2.0
181.12230	3.1
182.53058	1.6
183.11662	2.8
187.11198	3.3
187.14903	2.1
189.12756	1.5
191.10751	3.9
191.14340	4.4
193.12260	2.5
195.10182	1.5
195.13791	2.1
201.12813	1.8
209.11755	4.3
219.10326	1.5
219.13762	2.2
229.19530	6.9
237.11171	10.7
247.20605	13.0
257.18991	11.0
265.21573	1.8
275.20065	87.6
290.21069	1.5
293.21127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.03219	1.7
53.03932	5.7
55.01869	11.6
55.05274	1.8
55.05513	25.0
56.96558	3.1
57.03416	3.6
57.07067	3.3
62.14644	1.4
65.03934	2.8
67.05504	41.1
69.03421	3.3
69.07069	21.4
71.04988	2.5
79.05493	42.7
81.03413	5.6
81.07059	57.4
83.04986	8.9
83.08620	18.1
85.06528	2.7
91.05482	28.5
93.07037	31.4
95.04961	15.2
95.08610	29.1
97.06536	14.8
97.10165	13.1
99.08050	1.7
103.05467	5.2
105.07030	36.8
107.04958	9.4
107.08598	51.7
109.06502	11.2
109.10150	18.3
111.08088	3.3
117.07021	9.5
119.04988	8.0
119.08580	20.7
121.06468	6.3
121.10147	13.8
123.08054	5.3
123.11712	7.8
125.09608	14.4
129.06993	3.4
131.04919	7.3
131.08582	12.3
133.06476	10.9
133.10127	22.6
135.04437	1.7
135.08060	4.1
135.11694	7.1
137.09615	5.3
137.13275	2.1
139.11186	1.6
141.07039	1.7
143.08571	3.5
145.10121	12.6
147.04417	20.0
147.11687	17.4
149.06108	1.8
149.09645	16.9
149.13266	2.4
151.11162	5.8
155.08502	2.2
157.10114	4.1
159.11682	10.2
161.05966	9.3
161.09590	2.8
161.13242	4.7
163.03920	3.9
163.11179	6.9
165.04384	3.2
165.09109	3.4
165.12775	2.8
171.11655	3.9
173.09602	2.1
173.13239	7.2
175.49295	1.5
177.12775	3.1
183.11778	3.5
189.11214	6.5
191.14352	3.9
193.12114	1.9
195.13853	2.5
197.13181	3.6
203.12772	2.4
215.17854	2.7
229.19458	6.8
237.09091	3.3
239.17857	7.9
247.20578	5.0
257.19055	12.6
275.20065	100.0
285.09811	2.0
293.08063	2.1
293.11664	4.8
293.21085	31.4
293.28104	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03954	3.5
55.01632	1.1
55.01877	15.0
55.05513	24.7
56.96575	1.7
57.03428	2.5
59.04987	0.7
65.03932	2.4
67.05506	25.9
69.03428	2.8
69.07067	16.0
71.04980	2.8
76.59614	0.7
77.03922	1.0
79.05495	45.7
81.03428	5.7
81.07057	27.8
83.04972	6.3
83.08616	13.9
85.06538	2.0
91.05480	28.9
93.07046	24.1
93.07642	0.9
95.01385	0.7
95.04981	7.1
95.08609	15.6
97.06535	14.3
97.10173	18.2
98.97551	0.8
103.05429	0.8
105.06312	1.0
105.07034	32.3
107.04952	8.8
107.08595	100.0
109.06519	6.3
109.10159	7.7
111.08092	2.4
117.07043	7.3
119.04948	1.3
119.06078	2.0
119.08578	17.1
119.95527	0.7
121.06528	4.4
121.10141	10.2
123.04472	0.6
123.08057	3.9
123.11706	2.8
125.09632	15.2
129.07011	1.6
129.88547	0.7
131.08560	10.3
133.10132	19.0
135.08070	4.3
135.11685	6.5
136.08359	1.7
137.08687	1.3
137.09653	2.1
138.62604	0.6
141.06979	1.0
143.08536	2.8
143.10698	0.8
145.10135	11.9
147.04411	4.6
147.07993	1.2
147.11684	13.6
149.09618	12.9
149.13364	0.8
151.11171	3.2
153.09113	1.4
153.12753	1.1
157.10146	2.0
159.08128	0.8
159.11702	7.7
161.09619	1.1
161.13321	3.5
163.11156	4.9
165.09145	3.1
165.12778	0.9
169.10081	1.5
171.10222	1.4
171.11699	3.4
173.09541	0.8
173.13240	3.5
175.11192	1.0
177.12746	2.5
179.14346	1.9
181.12245	2.0
183.11673	1.5
185.13307	0.8
187.11182	2.2
189.11223	14.4
197.13303	1.0
198.78700	0.9
199.14854	0.7
223.13416	1.1
229.19566	3.5
239.17957	4.4
247.20630	2.5
257.19000	12.2
265.22742	1.2
275.20068	86.1
276.20407	1.1
293.14471	1.2
293.21106	37.2
293.27850	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.123
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03948	1.4
55.01860	1.7
55.05477	0.8
56.96555	2.5
57.03439	4.1
57.07077	8.1
59.04977	0.9
61.02925	5.9
65.03954	1.4
67.05181	1.0
67.05511	14.5
68.04887	0.5
69.03097	0.7
69.03437	11.8
69.07063	1.7
70.06585	0.6
71.05007	5.1
71.55105	0.6
72.08183	0.6
73.02903	2.0
79.05476	0.6
81.03420	3.7
81.07066	1.2
85.02911	67.8
85.06550	6.2
87.04472	1.2
91.03931	3.0
91.05482	2.6
95.04373	1.2
95.04977	22.0
95.08611	0.8
97.02895	15.0
98.97595	2.1
98.98498	0.6
99.04456	1.7
101.02392	0.7
107.08559	0.8
109.02875	5.5
113.06010	42.1
116.98677	0.9
119.04932	0.7
127.03004	0.7
127.03929	11.8
130.06541	0.8
131.07051	100.0
133.06503	0.7
136.07613	0.9
142.39529	0.6
145.04967	16.1
147.04414	2.1
149.02341	1.5
160.97559	0.6
163.06039	2.3
170.31525	0.6
175.02429	1.5
177.00693	0.8
177.05545	0.9
177.26761	0.6
189.05595	1.4
196.79962	0.5
216.06633	0.8
219.07935	0.7
223.50885	0.7
250.10825	1.2
251.04649	0.7
259.50116	0.7
265.08673	0.6
269.03287	1.3
275.20062	0.8
284.54294	0.6
293.08090	2.1
293.11407	2.8
293.14999	1.2
293.21335	0.9
312.75781	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	6.0
55.01879	17.7
55.05275	2.0
55.05516	32.8
56.96555	3.5
57.03438	6.4
57.06827	2.4
57.07080	26.4
59.05006	1.9
64.25182	1.5
65.03944	2.3
65.12471	1.4
67.05508	34.9
69.03426	3.9
69.07070	19.2
71.01364	2.8
71.04987	4.6
77.03941	1.7
79.05497	46.9
81.03430	10.4
81.07065	44.7
83.04977	13.0
83.08620	20.0
85.02905	1.8
85.06545	2.9
86.92424	1.8
91.05484	36.6
93.07051	41.3
95.04977	34.6
95.08606	25.7
97.06541	20.9
97.10181	16.8
98.21623	3.1
98.97585	1.8
99.04459	1.8
99.08084	2.0
101.06055	1.7
103.71477	1.8
105.07034	43.2
105.17735	1.6
107.04971	11.4
107.08596	59.2
108.65922	1.4
109.02866	3.8
109.06517	11.5
109.10165	12.9
111.04415	10.2
111.08074	5.1
113.35074	1.7
117.07010	10.5
119.04947	6.1
119.08598	23.1
121.06517	6.6
121.10141	18.2
123.08086	6.5
123.11697	3.8
125.05971	4.2
125.09648	14.4
126.02387	1.5
129.07040	3.4
131.08562	16.6
133.10147	21.6
135.04420	5.8
135.08060	6.3
135.11696	7.8
137.09619	5.9
141.06943	1.8
143.08556	2.7
145.10114	17.7
147.04414	24.9
147.08044	2.4
147.11710	13.7
149.09621	23.2
149.13246	4.5
149.71249	1.5
151.11159	7.4
153.05516	11.8
153.09114	1.6
157.10149	4.2
159.08067	1.7
159.11684	14.6
161.09674	3.1
161.13255	6.8
163.03929	5.5
163.11165	15.0
165.09105	3.3
165.12701	2.2
169.10196	2.7
171.11681	4.0
173.13277	6.0
175.07625	2.0
175.14886	2.0
177.09058	2.7
177.12753	4.9
181.04942	14.7
181.12213	4.5
183.11803	2.9
185.13264	5.8
186.86458	1.4
187.11200	4.5
187.14777	1.7
189.11241	13.6
191.10710	19.3
195.10202	3.6
203.14346	4.4
205.12282	2.4
209.09793	2.3
209.11736	38.5
211.04874	1.4
219.10197	5.4
219.17491	7.4
221.15405	6.0
223.13318	13.3
229.19522	4.4
233.11696	3.3
237.11220	71.4
239.18015	5.5
247.20619	4.5
257.19037	12.8
265.17950	3.7
275.20081	100.0
293.17932	4.0
293.21088	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05851	1.3
51.16439	1.2
55.01867	3.6
55.05311	1.2
55.05515	12.1
57.03434	11.7
57.07061	2.6
58.46574	1.2
61.02925	2.1
67.05509	9.7
69.03424	10.0
69.07063	12.0
71.01348	3.4
71.04993	33.4
73.02902	4.6
73.30258	1.2
73.52929	1.2
75.04472	7.4
79.05479	7.1
81.03385	2.3
81.07050	19.8
83.04984	24.3
83.08601	7.7
85.02906	100.0
85.06535	3.5
87.04460	3.2
91.05467	5.0
93.07038	7.8
95.04996	6.6
95.08608	21.9
97.02895	2.0
97.06514	4.3
97.10146	3.0
99.04446	5.7
99.08064	2.4
101.06027	12.8
105.07020	4.3
107.04958	1.8
107.08617	8.2
109.02872	3.8
109.06506	2.8
109.10146	14.3
111.04443	21.9
111.08058	2.0
111.11714	1.8
112.57603	1.2
113.06003	4.6
117.07023	1.6
119.04961	1.6
119.08579	4.4
119.81663	1.3
121.06480	2.1
121.10164	4.9
123.11697	5.9
125.06008	2.8
125.13248	1.3
127.03916	2.5
129.05470	29.0
129.06955	2.0
131.04927	2.2
131.08540	1.9
133.10091	3.2
135.11682	3.3
137.05937	1.5
137.13248	5.0
145.10225	1.7
147.04405	7.7
147.06514	10.5
147.11734	1.5
149.02292	2.0
149.09641	1.5
149.13242	3.5
153.05466	14.4
157.04935	2.6
159.11771	2.1
161.09647	2.2
163.11028	1.3
163.14799	1.6
171.06546	8.4
183.06497	2.1
185.09688	1.4
201.07568	6.6
213.07492	3.6
221.08292	1.6
239.09198	9.2
257.10178	4.2
257.19205	1.5
275.11246	5.9
275.20090	8.9
293.12198	3.3
293.21295	4.3
293.28448	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	293.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01868	4.4
55.05515	12.9
56.96561	4.0
57.03438	13.6
59.05023	2.3
60.05149	1.3
61.02919	2.5
62.70813	1.4
67.01855	1.9
67.05510	10.1
68.21728	1.3
69.03444	9.5
69.07079	7.1
69.75005	6.3
71.01352	5.4
71.04998	35.7
73.02898	3.7
75.04489	9.4
79.05511	13.6
81.03426	6.8
81.07062	12.2
83.04990	30.2
83.08616	3.2
85.02911	100.0
85.06511	2.2
87.04475	2.6
91.05489	8.3
93.07046	8.8
95.04981	9.3
95.08625	10.1
97.02855	2.3
97.06535	5.8
97.10157	2.5
99.04447	5.8
99.08062	1.5
99.18053	1.4
101.06013	3.8
105.07014	8.9
107.04942	2.4
107.07974	1.7
107.08611	15.4
109.02898	3.0
109.06530	3.1
109.10166	2.9
111.04449	26.5
111.08119	1.7
113.05994	3.8
117.05452	1.5
117.07048	2.5
119.04941	2.3
119.08594	6.0
121.06509	3.9
121.10124	3.7
123.08101	1.5
125.05996	1.7
125.09611	3.3
127.03951	3.2
129.05484	29.3
131.08566	3.2
133.06500	1.7
133.10121	5.1
135.11693	2.3
145.10143	3.9
147.04465	8.0
147.06523	14.4
147.11716	3.7
149.01193	2.4
149.05957	1.8
149.09656	3.1
149.13234	1.3
151.11252	2.6
153.05463	17.4
157.04967	3.8
159.06555	3.7
159.11690	2.2
163.11188	2.2
171.06541	10.2
171.56996	1.6
173.13200	1.4
189.11209	1.8
195.06558	1.4
201.07599	6.4
213.07588	4.1
231.08614	1.4
239.09157	10.3
242.71303	1.5
257.10208	6.0
267.09042	1.7
267.62665	2.0
275.11316	8.8
275.20056	20.3
285.10089	2.8
286.10519	2.1
292.62805	3.0
293.12360	8.4
293.21185	14.5
307.77563	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01866	2.8
55.05515	7.6
55.91130	1.1
57.03437	12.8
59.04982	1.9
61.02913	1.4
63.85678	1.1
67.01849	1.2
67.05492	3.8
69.03434	7.3
69.07072	2.2
71.01366	5.4
71.04611	1.8
71.04997	35.7
73.02909	5.3
75.04475	8.1
77.30936	1.1
79.05480	4.1
81.03410	1.7
81.07035	4.1
83.04506	1.5
83.04984	26.9
85.02908	100.0
87.04464	2.8
91.05482	3.0
93.07028	3.6
95.04976	8.1
95.08603	3.0
97.02879	3.2
97.06519	3.3
98.21626	2.3
99.04455	5.0
101.06018	4.2
103.03873	1.4
105.07071	1.5
107.08624	2.2
109.02859	4.9
109.06502	2.8
111.03731	1.7
111.04448	26.1
113.06013	4.3
113.60611	1.1
119.04933	3.2
119.08648	1.2
121.06500	2.4
121.10162	1.4
123.04451	2.6
125.05959	3.0
127.03900	2.8
129.05478	30.8
133.06502	1.3
135.11722	1.2
137.06006	2.5
139.03981	1.5
141.05424	1.8
147.04410	11.9
147.06525	13.6
151.07474	1.1
153.05472	16.2
157.05045	2.9
159.06508	1.9
171.06552	9.1
183.06551	2.7
184.16978	1.5
201.07611	7.2
202.69911	1.3
213.07561	5.3
221.08069	2.3
231.08403	1.2
239.09129	11.6
257.10129	3.7
262.32306	1.2
275.11301	7.1
275.20062	3.2
284.12988	1.4
293.12366	4.4
293.21298	1.5
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
53.03943	3.5
55.05504	7.8
56.96563	8.0
59.05000	3.2
67.05505	8.3
69.03411	4.2
69.07070	7.4
70.42357	6.9
70.42722	7.2
71.04998	26.5
79.05482	16.3
81.03416	6.2
81.07067	22.4
83.04965	4.8
83.08615	6.5
85.06541	6.3
87.59118	4.2
91.05466	17.0
93.07047	38.7
95.04999	16.6
95.08604	15.9
97.06522	5.9
97.10168	7.2
98.97586	36.6
99.08113	4.0
105.07027	32.9
107.04961	5.8
107.08579	37.0
109.10152	16.4
110.97562	8.1
112.52999	3.6
116.98672	5.3
119.04921	9.0
119.08587	20.3
121.10145	83.2
123.11714	9.5
125.09647	43.8
127.11199	10.4
130.06491	4.6
131.08586	5.1
133.10138	100.0
143.00142	4.3
143.10675	98.2
145.10129	9.6
147.04399	30.3
147.11653	16.5
149.13269	7.6
151.11206	16.3
153.12764	7.3
158.99637	3.5
159.11714	17.9
161.13249	9.4
163.11244	4.3
170.99663	6.9
189.00758	8.3
189.16396	38.0
201.16405	16.6
207.17468	14.2
219.01704	5.0
219.17468	33.6
227.08293	4.0
235.46259	3.8
237.18539	23.6
249.02774	16.1
255.19527	10.7
273.12323	8.2
273.20761	4.3
291.10004	16.4
291.13028	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	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03941	3.1
55.01881	1.5
55.05513	14.1
57.03437	1.4
57.07070	2.1
61.16645	1.2
61.29641	1.2
65.03931	1.6
67.05180	1.9
67.05509	25.4
69.03400	1.3
69.07078	14.0
71.04977	1.9
71.08630	1.9
71.25835	2.1
79.05499	45.4
81.06593	1.8
81.07063	35.9
83.04977	2.4
83.08612	8.0
85.06075	1.0
85.06538	4.4
91.05487	22.2
92.35537	1.1
93.07047	72.0
95.04982	5.2
95.08618	29.2
97.06547	1.9
97.10158	4.4
99.08063	1.8
105.04534	1.0
105.07033	17.7
107.08597	44.3
109.06531	10.9
109.10153	10.3
111.08044	1.8
117.07008	5.0
119.08577	15.6
121.06518	2.1
121.10152	38.5
123.08075	1.9
123.11700	3.1
129.07019	2.6
131.08572	4.4
133.10143	11.7
135.08041	2.8
135.11694	37.9
143.08578	2.5
145.10150	3.9
147.11705	12.6
149.09637	3.5
149.13268	22.6
151.11195	1.7
157.10201	2.4
159.11745	5.3
161.09668	2.8
161.13249	9.4
163.11198	2.5
163.14825	8.8
165.12776	8.3
171.11610	5.9
173.13243	2.7
175.11217	1.6
175.14771	5.4
177.12755	2.3
185.13242	3.7
188.57680	1.1
189.12743	3.2
199.14745	2.3
203.14314	1.7
209.15448	1.2
217.19533	6.8
221.15414	2.4
231.21161	1.3
235.16914	5.2
241.19577	6.8
249.18532	3.5
259.20578	12.5
285.97397	1.1
291.19974	4.4
291.23196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96590	1.4
57.03491	2.5
58.43517	0.8
61.02984	2.0
68.00341	0.8
69.03477	3.0
69.89011	3.7
73.02955	0.9
75.04542	0.8
82.99878	0.8
83.05011	1.6
85.02956	1.5
89.00818	1.9
96.01597	0.7
98.01361	3.2
98.97583	10.1
99.04503	1.7
100.51685	0.8
101.00933	3.0
101.93640	0.7
102.01585	2.0
104.01344	1.9
107.01842	3.4
110.01334	1.9
110.97593	1.7
111.02050	6.0
111.04491	0.9
112.99158	1.2
116.98698	1.9
119.01868	3.6
120.02599	9.5
120.52734	0.8
123.02074	0.9
124.99156	1.4
125.01852	2.6
128.98650	1.3
129.02171	1.4
129.03101	8.9
131.00270	1.0
132.02573	3.6
134.02379	1.7
139.03384	1.0
141.03065	3.7
143.00272	1.4
143.01886	3.8
145.03424	0.9
146.04086	0.8
147.03099	4.7
148.03920	1.0
153.01675	0.7
153.03094	1.6
154.03853	0.7
155.00262	0.9
156.03650	6.1
158.99655	1.9
159.85249	0.7
161.02979	2.3
162.03545	3.3
171.04156	7.1
173.01192	1.0
175.04457	1.4
184.04956	1.9
193.05492	6.0
193.55673	0.8
202.05992	100.0
202.56113	6.9
203.02235	0.9
203.03998	1.1
221.03329	1.6
223.06628	2.5
239.04376	3.0
293.06201	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05512	3.7
56.96558	0.7
57.07078	2.9
65.03944	0.8
67.05501	4.1
69.03432	1.9
69.07066	7.4
69.70300	1.4
69.70705	2.3
71.08618	1.4
71.28671	0.5
73.98489	0.7
79.05486	2.1
79.36202	0.5
81.03413	3.7
81.07062	12.0
83.04985	2.2
83.08618	4.2
83.27065	0.6
85.02898	2.0
85.06568	0.8
91.05478	8.2
93.07030	3.3
95.05004	0.7
95.08604	12.5
97.02908	1.7
97.06548	0.8
97.10154	2.2
98.21568	0.7
99.08102	1.5
103.05473	11.8
105.07035	1.1
107.04948	1.7
107.08594	4.1
109.02854	1.9
109.10155	7.5
111.04400	1.2
111.11746	1.3
119.04954	19.1
120.79617	0.6
121.10151	2.0
123.11708	5.5
125.09644	1.0
127.03951	0.8
128.98593	0.7
129.07016	1.0
131.04932	40.0
133.10078	0.6
135.11739	1.1
137.13257	3.7
147.04413	100.0
149.05968	1.2
149.13278	3.0
151.14844	0.7
163.14836	1.1
167.14319	1.4
195.39195	0.7
201.05473	1.6
210.28879	0.6
231.05933	0.6
270.12366	0.6
275.09067	6.2
275.20099	1.2
275.27441	1.4
292.04422	0.6
293.10272	2.2
293.17487	0.7
293.21146	1.0
293.28381	6.8
293.56351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.6
62.47539	0.2
64.79140	0.2
65.03939	0.6
66.69439	0.2
67.05502	0.2
69.07069	0.3
70.77830	0.4
70.78155	0.3
75.20728	0.2
77.30206	0.2
79.05485	0.2
81.03456	0.2
81.07082	0.5
81.58255	0.2
83.04988	1.9
85.02917	0.4
91.05486	10.5
93.07041	0.5
95.08593	0.4
105.07015	0.3
107.08586	0.3
109.10167	0.3
111.04450	0.7
119.04948	25.5
121.10146	0.3
129.05502	0.3
145.73846	0.2
147.04416	100.0
148.04742	0.2
149.02341	2.5
157.10193	0.2
160.27226	0.2
165.05487	0.5
186.51831	0.2
202.70372	0.2
205.06592	0.2
245.05151	0.2
293.10208	1.2
293.13562	0.3
313.95557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79543	0.5
55.05510	1.5
56.96563	1.9
59.45275	0.5
61.27813	0.5
67.05501	1.8
69.07070	1.2
70.06577	1.0
71.06915	0.5
79.05489	1.3
81.07050	2.1
83.04987	1.6
83.08599	0.9
85.02891	0.7
88.07639	1.2
91.05486	7.6
93.07037	1.2
95.04984	0.9
95.08600	1.9
97.06543	0.6
98.97620	0.9
105.07037	0.7
107.04961	3.0
107.08611	1.9
109.10140	1.0
111.04456	1.6
112.99103	0.5
116.98668	0.5
117.07053	0.5
119.04945	19.6
119.08554	0.6
125.09650	0.6
133.10098	0.6
135.11729	0.6
145.10155	0.7
147.04413	100.0
149.01276	0.7
149.02466	0.8
201.05554	2.4
201.16508	0.5
211.04391	0.6
217.04938	0.6
222.76357	0.5
229.23645	1.2
230.23782	1.1
243.13223	0.7
263.14801	0.8
270.12579	0.8
275.09134	5.3
275.20126	2.5
284.12903	1.6
292.27472	2.4
293.13434	0.7
293.27850	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	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03951	3.1
55.01876	6.7
55.05510	19.7
56.96563	1.7
57.03439	7.0
57.07083	7.0
59.04990	1.9
67.05188	1.5
67.05507	19.4
69.03433	7.7
69.07063	9.7
69.24822	13.2
70.06603	7.1
71.04983	6.0
71.06923	3.1
79.05495	29.3
81.03403	7.5
81.07059	36.3
83.04984	7.4
83.08604	8.9
85.06531	2.2
85.55447	1.4
88.07629	10.2
89.07973	3.1
91.05482	24.5
93.07047	23.3
95.04971	11.4
95.08609	20.1
97.06525	6.0
97.10158	4.1
98.97530	1.7
99.04462	1.5
101.97871	1.6
102.09180	7.8
103.05450	1.5
103.09521	2.3
105.04513	1.7
105.07037	25.4
107.04958	15.8
107.08592	17.6
109.06517	26.2
109.10159	7.5
111.04428	2.2
111.08078	19.0
113.05998	1.7
113.09619	1.9
115.05439	1.8
117.07022	15.3
119.08582	21.3
121.06514	11.5
121.10145	13.1
123.08058	25.6
123.11720	2.7
125.09636	4.3
129.06990	5.4
130.07764	1.4
131.08556	20.0
133.06473	5.7
133.10146	10.7
135.04416	2.3
135.07114	2.3
135.08055	24.3
135.11719	6.0
137.09625	3.9
143.08568	7.5
145.02841	1.7
145.06494	2.7
145.10117	21.4
147.08018	10.0
147.11670	9.3
149.09624	15.6
151.07544	47.7
155.08565	2.3
156.09337	1.6
157.10149	11.5
159.08037	2.1
159.11705	6.9
161.09633	10.4
161.13226	2.4
163.03874	12.9
163.11182	6.5
165.09090	2.4
169.10097	2.7
171.11702	7.0
173.09633	3.3
173.13301	5.1
175.11195	6.4
175.15009	1.5
179.10664	3.4
183.11673	1.7
185.09682	1.4
185.13252	2.4
187.11177	3.5
189.11176	3.3
189.12741	16.5
191.14304	4.8
192.11430	2.9
195.11679	2.2
197.11711	11.9
197.13269	1.9
199.11040	1.4
199.14847	1.7
201.12779	2.1
203.14264	3.7
207.13792	32.8
211.14952	1.7
213.12753	2.0
213.16412	1.6
215.14369	3.4
217.12254	1.9
217.15854	6.5
219.13870	1.9
227.17888	1.9
228.23216	4.2
229.23572	25.2
231.17426	1.7
233.15375	18.4
237.16446	3.2
245.19073	3.3
255.17407	4.7
259.07596	1.7
273.18494	36.4
273.26224	3.2
291.19540	100.0
291.27179	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	291.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.05510	8.8
56.96562	15.7
57.03421	4.0
62.78551	3.4
67.05502	9.9
69.03432	11.1
69.07058	16.7
70.06584	12.7
71.05002	26.7
79.05494	11.9
81.03428	10.3
81.07066	24.9
83.04972	5.5
83.08630	6.9
84.08158	19.2
84.96040	4.7
85.02892	7.3
85.06548	12.5
86.09687	8.6
91.05482	16.7
93.07058	25.0
94.06559	4.1
95.04961	15.5
95.08608	13.1
97.06546	9.6
97.10165	6.1
98.97585	66.5
98.98250	5.1
98.98480	3.2
99.98325	3.5
105.07030	36.5
107.08569	31.8
107.09135	3.2
108.30450	3.4
109.02895	5.1
109.10154	18.0
110.97579	26.0
111.04434	3.9
111.08044	4.4
116.98610	19.8
119.04923	6.5
119.08602	14.9
121.10149	82.0
123.08076	7.4
123.11753	6.4
124.99133	3.9
125.09655	38.3
127.03893	4.0
127.11218	6.0
128.98615	25.4
129.06999	3.6
129.10222	10.8
131.08601	7.6
133.10138	86.7
135.11703	11.5
140.54985	3.6
141.09096	6.7
143.00148	8.0
143.10690	100.0
145.02750	4.1
145.10109	11.5
146.99667	8.2
147.04462	12.0
147.11710	18.1
149.13245	9.9
151.11209	14.3
158.99661	7.2
159.11711	15.9
161.01222	8.8
161.13298	7.2
163.03928	14.5
170.99690	16.3
173.01326	5.5
177.00749	5.1
177.05487	7.0
181.95865	3.6
182.99649	6.9
189.00781	17.0
189.16370	23.8
201.00691	6.8
201.16383	7.3
207.17439	12.7
219.01920	3.9
219.17422	35.9
227.11760	6.8
231.01706	8.9
237.18544	22.3
243.11285	4.8
245.12750	5.9
249.02878	31.2
255.19675	10.6
268.10858	4.5
273.12326	14.6
273.18552	5.8
291.08612	5.3
291.10684	5.5
291.13293	15.0
291.16382	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01862	1.8
55.05514	4.4
56.96571	1.0
57.03416	1.3
57.07076	1.3
67.05506	5.4
67.66808	0.8
69.03419	2.4
69.07071	12.8
70.99358	2.0
71.04991	1.1
75.74319	0.7
79.05492	9.6
81.03422	0.8
81.07056	14.5
81.50273	0.8
83.04993	3.8
83.08628	3.7
85.02899	0.9
85.06577	0.9
89.03908	2.4
91.05484	7.8
93.06484	1.4
93.07048	21.6
95.04964	2.6
95.08603	10.8
97.06521	2.8
97.10156	2.1
98.97591	2.1
105.07034	10.2
107.04946	3.3
107.08607	11.2
109.06516	13.5
109.10147	5.0
109.25457	0.7
111.04450	1.4
111.08102	2.1
111.11703	2.3
116.98630	0.9
117.03390	3.2
117.07063	1.9
119.08577	6.1
121.06563	1.1
121.10155	35.0
121.11038	1.8
123.04427	1.4
123.08128	3.6
123.11683	2.5
123.94801	0.7
125.09654	4.4
129.07039	1.2
131.08592	3.9
133.06499	1.4
133.10144	4.0
135.04433	7.1
135.08061	7.1
135.11697	2.7
137.09607	2.5
137.13184	1.8
139.11151	1.7
141.06969	0.8
143.08574	2.7
145.02892	4.9
145.10139	3.5
147.04335	0.9
147.08057	1.6
147.11688	2.6
149.09613	11.2
149.13239	2.2
151.07529	2.8
153.05426	0.7
153.09129	1.1
155.08536	0.9
156.09319	0.7
157.10143	4.0
159.08078	1.4
159.11705	1.0
161.09593	0.9
163.03908	30.6
163.11127	0.9
163.14847	1.1
165.84668	0.7
167.10684	100.0
171.11699	2.2
173.09662	1.6
173.13225	4.2
175.11174	2.6
177.05516	1.0
187.11147	1.4
187.14790	0.9
187.78191	0.8
189.12737	2.2
191.10666	3.7
191.14322	3.2
195.11588	1.1
197.13225	2.2
199.11108	1.0
210.04744	0.9
211.14746	1.6
213.16438	0.8
215.14317	2.9
217.12196	1.3
217.15923	1.1
233.15359	10.9
245.18976	1.2
249.02977	1.0
255.17458	3.1
263.10986	0.8
273.18488	11.2
273.21344	1.2
291.09790	1.2
291.16144	1.0
291.19580	14.4
291.26801	3.9
303.56668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
52.24210	0.6
53.03934	1.2
55.01862	1.8
55.05518	5.7
55.95847	0.6
57.03431	1.1
57.07071	2.6
59.05001	2.1
67.05505	6.3
69.03421	2.2
69.07062	2.6
69.52398	1.2
69.52795	4.0
70.06582	0.8
71.04999	3.9
73.44173	0.7
77.03935	0.8
79.05498	8.6
81.03411	0.9
81.07051	8.4
83.04986	6.1
83.08614	4.5
85.02905	1.7
85.06548	3.1
87.04459	1.0
88.07622	0.7
89.03930	4.6
91.05486	6.6
93.07039	12.2
93.07562	1.0
95.04966	5.0
95.08604	14.7
97.02890	0.6
97.06528	4.2
99.04443	0.9
99.08089	0.8
105.07037	10.7
107.04964	8.7
107.08595	9.2
108.05733	0.7
109.06524	9.5
109.10156	4.5
111.04457	4.0
111.08087	27.9
112.10835	0.7
113.06043	1.1
113.09624	1.9
115.05463	0.9
117.03381	6.9
117.07034	2.0
119.08592	11.1
121.06506	2.9
121.10152	8.2
122.07287	1.6
123.04493	0.8
123.08073	34.8
123.11698	1.6
124.48551	0.8
125.09650	1.2
129.07013	1.7
130.07820	1.3
131.08572	7.8
133.06488	3.4
133.10141	6.9
135.04420	12.8
135.08040	8.9
135.11691	4.5
137.09612	5.2
141.05521	0.8
141.06894	0.8
142.07756	1.3
143.08545	3.0
144.09323	1.4
145.02840	10.4
145.10130	15.7
147.08092	3.5
147.11690	7.8
149.09641	7.0
149.13225	1.0
151.07550	100.0
155.08490	1.3
155.10687	2.4
156.09325	2.5
157.10168	4.2
158.10936	1.2
159.08069	1.8
159.11697	6.2
161.09612	4.8
161.13255	2.7
163.03912	70.3
163.11185	4.7
165.09120	1.0
169.10153	0.9
171.11653	5.4
173.09633	1.1
173.13278	8.1
174.10391	1.6
175.11206	4.4
177.09134	2.4
177.12767	3.2
179.10704	4.4
181.12263	1.5
185.13191	1.8
187.11227	3.7
187.14850	2.0
189.05397	0.6
189.12737	26.3
191.10664	0.9
191.14337	7.7
192.11424	3.3
197.11714	15.5
197.13268	1.6
199.11229	0.9
202.07890	1.2
203.08585	1.4
203.14307	2.6
205.15964	0.7
207.13809	67.5
211.14771	0.9
213.12856	0.6
213.16391	2.8
215.14342	6.1
217.04929	1.1
217.12321	3.0
217.15799	0.9
227.17897	1.0
229.15869	1.1
229.23616	2.2
231.17441	2.2
233.15384	22.7
235.13287	1.8
237.16377	0.7
245.19141	0.8
249.18529	0.9
255.17424	3.6
273.18585	10.0
291.10226	3.7
291.19543	65.6
291.26941	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03934	1.1
55.01863	1.3
55.05515	8.8
56.76114	0.8
56.96563	1.1
57.03436	0.7
57.07067	2.5
59.04994	2.5
67.05507	3.4
69.03432	2.5
69.07071	2.1
70.89986	1.5
71.05006	4.3
79.05502	7.5
81.07063	8.1
83.04971	1.8
83.08629	9.2
85.06537	1.3
91.05487	4.8
93.07046	12.8
95.04969	5.2
95.08611	16.6
97.06547	5.0
97.82785	0.9
105.07051	7.6
107.04295	1.5
107.04963	13.7
107.08598	7.6
108.05698	1.1
109.06517	6.9
109.10144	2.6
111.08086	41.4
113.09669	2.5
114.93922	0.8
117.07039	1.4
119.08587	9.1
121.06553	1.6
121.10152	7.3
122.07254	1.3
123.08080	34.7
125.09638	2.0
129.06949	1.1
131.08568	5.3
133.06482	2.9
133.10120	8.0
135.08064	6.7
135.11688	2.6
137.09639	2.0
142.07741	1.2
143.08533	1.6
145.10159	3.2
147.08031	2.3
147.11694	6.1
149.09642	7.3
151.07553	100.0
155.10674	3.0
156.09462	1.3
157.10181	3.4
158.10867	1.5
159.08072	2.1
161.09648	2.9
163.03934	2.5
163.11186	3.3
165.09120	1.3
169.10168	1.0
171.11694	2.6
173.09642	1.5
173.13274	7.6
174.10452	1.5
175.11156	4.6
177.09148	2.1
179.10664	4.5
181.12244	1.8
185.13300	0.9
189.12747	27.9
191.10612	1.0
191.14305	16.2
192.11505	3.4
197.11728	15.4
197.13260	1.7
205.12231	1.1
207.13815	65.8
211.13368	2.1
213.16331	2.2
215.14336	3.5
217.12265	3.6
231.17453	3.1
233.15382	51.0
235.13351	2.6
245.18938	0.9
249.18477	2.2
255.17365	2.7
273.18555	6.6
282.04553	0.9
291.19568	69.8
291.84628	1.0
306.81320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.19593	1.1
53.03949	4.5
55.01872	7.7
55.05517	24.8
56.34110	0.9
57.03434	4.6
57.07077	17.0
65.03938	2.4
67.05508	41.0
69.03426	2.9
69.07072	20.4
71.04987	2.7
71.55608	1.1
77.03918	1.4
79.05498	49.2
81.03426	4.2
81.07059	53.7
83.01367	1.3
83.04986	7.9
83.08634	10.6
84.71575	1.1
85.06548	4.9
91.05482	35.0
92.51145	1.0
93.07047	58.2
95.04966	10.8
95.08611	32.8
97.06541	5.7
97.10171	3.5
103.05469	1.1
105.04516	2.4
105.07040	28.8
107.04962	9.7
107.08601	38.2
109.06517	13.6
109.10164	19.5
111.04427	3.7
111.08095	7.0
115.05469	1.8
117.07026	9.4
118.62935	0.9
119.04959	2.5
119.08582	20.4
121.06509	11.5
121.10151	25.5
123.04433	4.1
123.08075	6.5
123.11735	6.2
125.06014	2.7
125.09615	2.8
128.06224	2.0
129.07028	6.5
131.08578	13.2
133.06503	8.4
133.10132	24.5
135.08076	11.2
135.11693	27.2
137.05972	3.9
137.09619	5.2
139.07552	4.9
139.11151	1.4
143.08595	7.2
145.10120	11.5
147.04405	18.4
147.08070	9.9
147.11674	10.9
149.09622	8.9
149.13280	9.9
151.07581	2.5
151.11203	5.7
153.09236	1.3
157.06544	1.4
157.10150	7.0
159.08072	1.8
159.11696	6.3
161.09616	7.2
161.13286	8.1
163.11171	5.8
163.14812	3.5
165.09148	3.3
167.10683	1.6
171.11711	6.7
173.09613	1.3
173.13312	2.2
175.11214	7.2
175.14825	2.1
177.09151	1.3
177.12761	2.9
179.07019	6.7
179.10698	2.9
179.14325	1.4
181.08569	1.4
181.10144	1.8
181.12187	1.6
185.13322	4.3
187.11121	1.5
189.09048	1.3
189.12744	5.0
193.12201	1.3
199.11211	4.3
199.13275	1.6
201.12781	1.3
203.10675	14.0
203.14339	2.8
207.13885	2.2
209.11696	1.4
217.12222	2.2
217.19441	1.9
219.13708	1.3
223.13268	1.5
227.17987	3.9
231.17606	1.3
235.13295	13.2
235.16971	2.4
237.16386	1.2
241.19498	1.9
245.19014	10.4
249.18556	2.8
255.17464	3.6
259.16949	7.5
259.20618	2.9
263.20056	14.7
273.18503	41.5
291.19577	100.0
291.23166	25.5
291.26648	2.9
300.54373	1.0
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
51.58571	1.4
53.03933	2.8
55.01872	15.6
55.05510	16.9
56.96550	3.9
57.03434	10.9
57.07058	2.1
57.44997	1.3
59.70195	1.6
65.03914	4.6
67.05502	63.3
67.62063	1.3
69.03423	3.8
69.07060	10.0
69.50697	10.1
71.04972	5.4
73.73250	1.4
79.05487	42.1
81.03394	4.8
81.06589	2.4
81.07047	39.6
83.04967	10.3
83.08592	5.5
85.06528	3.9
86.98155	1.5
91.05476	36.8
91.72906	1.5
92.12940	1.6
93.07037	31.3
94.60538	1.4
95.04964	100.0
95.08595	16.8
96.65331	1.3
97.06506	6.6
97.10163	3.5
98.21463	3.1
98.97596	1.5
103.05420	1.7
105.07021	23.9
107.04954	21.9
107.08588	25.7
109.02847	1.8
109.06509	60.7
109.10139	5.8
111.04442	1.7
111.08042	6.3
115.05436	2.7
117.03294	2.0
117.07027	14.7
119.08578	13.6
121.06494	10.3
121.10129	9.9
123.08017	4.1
127.03885	2.1
128.06212	2.0
129.07021	7.7
131.08557	18.9
133.06456	6.2
133.10104	9.6
135.04417	3.8
135.08049	67.9
135.11693	8.1
137.05923	3.3
143.08595	11.6
145.02800	3.0
145.06551	1.8
145.10124	14.9
147.08052	7.9
147.11644	4.4
149.09612	10.4
149.13245	3.6
151.07516	4.3
155.08496	1.5
157.10092	6.8
159.08020	2.7
159.11650	6.2
161.09659	7.6
161.13199	2.6
163.03893	19.6
163.11134	4.0
169.10117	3.3
171.11670	5.3
173.13196	2.8
175.11172	5.1
177.12738	3.0
179.08430	1.8
183.11728	2.6
185.04347	1.6
187.11134	2.8
189.12686	3.2
195.11526	1.8
199.14728	2.6
201.12828	1.9
207.13841	2.5
217.15857	14.9
227.17952	4.2
245.18988	3.6
255.17476	5.3
273.18500	42.6
291.19464	63.8
291.27161	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
51.32634	0.6
53.03946	3.4
55.01874	13.1
55.05513	15.7
56.96559	3.1
57.03437	10.7
57.07058	1.8
59.04995	0.7
65.03930	1.7
67.05505	28.8
69.01206	0.7
69.03445	3.9
69.07065	9.7
69.26480	6.3
69.34952	0.6
71.05003	3.0
73.52737	0.6
79.05493	37.8
81.03423	5.5
81.07056	36.9
83.01308	0.6
83.04984	5.1
83.05431	1.0
83.08616	7.2
85.02888	1.2
85.06527	3.1
90.49444	0.7
91.05482	30.4
93.07042	30.2
93.07639	1.4
95.04960	10.1
95.08606	19.0
97.02876	0.7
97.06521	4.4
97.10143	3.4
98.21501	1.5
98.98454	0.9
99.04462	0.7
102.59094	0.6
103.05449	1.6
105.04489	1.3
105.06317	0.9
105.07030	24.5
107.04958	12.4
107.08594	25.7
109.02883	0.8
109.06516	38.3
109.10159	10.7
111.04440	1.3
111.08082	3.8
113.06010	1.0
115.05481	3.8
116.06218	1.5
117.07019	13.1
117.07837	0.8
119.04967	1.1
119.06100	1.0
119.08587	16.5
121.06496	10.9
121.10150	9.4
123.04477	0.6
123.08057	5.2
123.11709	2.2
125.05982	2.0
125.09634	3.0
128.06209	2.0
129.07004	7.5
130.07779	1.5
131.08560	17.8
132.05702	1.1
133.06523	6.1
133.10132	14.5
135.08054	60.6
135.11661	6.2
137.05946	0.8
137.09598	2.7
137.13269	0.8
139.07530	2.1
139.11188	0.8
142.07771	1.8
143.08540	7.8
145.06468	1.5
145.10127	12.0
147.08054	10.2
147.11636	5.1
149.09604	11.1
149.13239	1.8
151.07550	2.8
151.11166	4.7
155.08528	1.4
157.06520	0.8
157.10146	6.9
157.86105	0.6
159.08083	2.6
159.11699	6.1
161.09624	11.5
161.13274	2.0
163.03954	1.0
163.11147	3.3
165.09094	0.9
165.12860	1.1
167.10689	0.7
169.10130	1.5
169.12277	0.7
171.11681	4.4
173.09601	1.1
173.13260	2.2
175.11185	4.6
175.14833	1.5
177.09050	2.4
177.12714	2.3
179.10658	1.3
179.14316	0.6
181.08578	0.7
181.10103	1.3
183.11682	1.5
185.09586	1.0
185.13251	3.3
187.11139	1.2
187.14864	0.7
189.11206	1.4
189.12775	3.3
189.16312	1.4
189.56802	0.7
195.11652	1.1
195.13715	1.1
199.11159	2.5
199.14798	2.6
201.12814	1.8
203.14275	2.2
205.12109	0.7
207.13838	3.1
213.12784	0.8
213.16364	1.2
217.12183	0.8
217.15845	9.5
217.19362	0.8
219.13760	1.2
223.13248	1.3
227.18004	3.0
231.13844	1.1
231.17775	0.7
233.15338	1.1
237.16365	1.3
245.18958	6.9
249.14847	1.2
255.17413	4.5
263.20053	4.3
273.18491	40.8
291.19531	100.0
291.26654	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63972	3.5
56.96579	23.5
56.96817	4.3
61.02932	5.5
61.52578	3.7
69.03429	8.9
69.22867	18.2
69.23299	16.1
78.71108	4.1
81.03418	3.7
82.99810	4.3
83.75415	3.7
84.08150	7.1
85.01420	6.4
85.02907	14.6
91.05485	11.5
97.02917	9.9
98.20740	8.0
98.97595	30.4
101.00881	29.5
103.02435	7.3
108.59664	4.1
111.04404	4.1
114.09477	4.1
116.98605	10.8
119.01932	37.6
119.04931	7.6
123.76613	3.8
124.99118	9.0
127.02420	8.8
127.03940	4.1
131.01935	6.2
135.04996	6.0
141.66904	3.8
143.00169	17.8
143.01878	22.1
145.03488	30.3
147.01399	15.9
147.04424	12.3
157.03453	7.7
158.99663	6.3
161.01344	7.9
161.02963	44.4
161.05948	6.0
169.03539	4.2
170.99956	5.8
171.01399	27.5
171.02710	4.9
173.02901	13.0
177.00739	4.9
185.01236	6.9
187.04520	7.3
189.00797	8.5
189.02449	46.5
189.05438	19.6
194.07085	6.2
195.04918	5.0
203.02312	6.0
207.03571	13.7
210.07329	5.0
223.06689	8.1
231.01402	7.5
231.03525	100.0
236.78014	3.7
239.04428	4.4
249.04633	12.4
291.03894	6.6
291.08356	49.1
291.13330	4.6
309.04904	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	291.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03934	1.7
55.01875	3.0
55.05512	4.8
56.96566	2.1
57.03431	5.0
57.07056	1.2
57.52511	0.5
59.05000	2.7
59.95486	0.5
61.02931	4.1
65.03937	1.0
67.05508	6.4
69.03429	1.4
69.07069	34.1
71.04987	1.5
71.28957	0.8
71.29280	0.7
77.03922	0.7
79.05492	17.6
81.03419	1.2
81.07059	13.2
83.04974	1.6
83.08626	2.1
85.02888	1.1
85.06538	3.7
87.08109	1.5
89.03900	6.3
91.05476	2.0
93.07064	3.3
95.04984	1.6
95.08611	8.2
97.06532	97.1
97.10139	1.0
98.97567	4.3
103.05476	1.9
105.03401	1.4
105.07032	2.3
107.04946	2.5
107.08566	3.8
109.02843	1.1
109.06531	0.8
109.10151	6.1
110.97582	0.8
111.04438	1.0
111.08089	6.6
111.11724	1.4
116.98631	1.7
117.03393	9.7
119.04955	0.6
119.08585	1.7
121.10136	3.7
123.11683	4.4
124.99100	0.7
129.07008	1.6
129.09128	3.1
131.04919	1.8
131.08635	0.9
133.02863	6.8
135.04408	13.8
135.11714	1.9
137.13246	3.3
139.11128	0.6
141.06976	1.2
145.02832	9.9
147.04428	3.2
147.11676	0.9
149.13261	2.4
157.06532	1.7
158.99686	1.2
159.04439	8.8
159.08034	1.1
161.02350	33.9
161.09631	1.3
163.03906	76.8
163.14816	1.2
169.06505	1.2
170.99696	0.8
173.02345	69.2
175.03867	1.0
177.00768	0.7
177.05563	1.4
177.16290	1.1
185.05962	4.8
186.03059	0.8
187.03876	1.5
187.07547	1.9
189.05501	1.3
189.09149	0.7
191.03453	5.8
195.08041	0.8
197.06053	0.7
199.04033	0.6
199.07510	0.7
201.00717	0.6
213.09033	0.7
215.07034	100.0
217.04890	1.4
217.15916	0.8
219.01913	0.9
223.07533	1.0
230.46112	0.6
233.08102	5.3
235.16821	1.1
241.08574	10.8
245.08217	0.9
256.59296	0.7
259.09708	16.2
273.11206	2.8
273.25928	0.8
291.12479	9.7
291.20078	2.3
291.26831	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	291.1955
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03927	6.8
55.01855	11.2
55.05514	38.0
57.03440	15.3
57.07061	3.8
59.04996	5.2
63.44531	3.1
67.05190	3.6
67.05508	36.0
67.31705	3.0
69.03413	4.1
69.07078	18.3
69.35874	27.3
71.04978	6.6
71.64035	3.0
78.41938	2.8
79.05499	53.5
81.07062	63.5
81.27658	3.0
83.04969	7.1
83.08632	14.3
91.05489	58.4
93.07052	55.7
95.04950	10.2
95.08607	35.1
97.06514	5.8
97.10172	6.9
105.06406	4.2
105.07045	55.1
107.04957	10.0
107.08603	31.5
109.06528	25.2
109.10162	12.0
111.08092	32.3
115.05428	5.4
116.06219	5.8
117.07010	30.2
119.08599	30.0
121.06502	14.9
121.10152	23.8
121.51259	3.0
123.08062	27.4
125.09636	5.9
128.06247	6.9
129.07025	13.9
130.07782	8.7
131.08574	62.6
133.06514	9.9
133.10138	23.0
135.08052	28.1
135.11664	8.5
137.09602	5.7
139.11192	7.7
142.07761	5.5
143.08578	36.9
145.10141	58.9
147.08018	13.6
147.11700	8.7
149.09653	10.5
151.07553	70.1
157.10124	14.1
159.08020	5.0
159.11731	17.7
160.82083	3.8
161.09702	14.5
163.11241	7.3
169.10144	6.3
171.11705	14.0
173.09529	3.6
173.13200	3.5
175.11195	8.3
177.09164	3.0
177.12727	3.2
179.10739	6.7
181.10117	6.6
183.11703	8.1
185.09683	3.3
185.13300	3.6
189.11331	3.1
189.12694	15.1
195.11708	9.8
197.11719	11.5
201.12723	5.4
207.13831	45.4
217.12144	4.0
217.15839	15.0
227.18027	4.9
233.15482	6.3
237.16463	6.0
245.18951	6.4
249.14890	3.8
255.17445	13.6
263.20062	5.5
273.18503	57.9
276.10986	3.7
291.19550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05519	3.8
56.96297	1.1
56.96568	16.7
57.03431	0.8
57.07061	1.0
57.12256	0.6
65.03929	2.6
67.05495	5.4
69.03420	1.2
69.07066	5.4
70.53008	2.3
71.04991	0.7
71.95266	1.1
79.05484	3.7
81.03414	1.9
81.07062	9.8
83.04993	1.8
83.08618	2.9
84.96024	4.7
85.02910	0.8
85.06557	1.2
89.03910	2.4
91.05482	3.4
93.03400	1.7
93.07030	4.4
95.04960	2.7
95.08604	8.1
97.02895	1.9
97.06523	2.6
97.10132	0.9
98.97585	100.0
103.05491	1.2
105.07032	3.6
107.04960	1.2
107.08607	4.7
109.02882	1.4
109.06527	1.6
109.10171	4.7
110.03700	0.7
110.97571	54.9
111.04428	2.0
111.08075	1.0
111.11724	0.8
112.99139	2.6
113.26933	0.6
115.05472	0.8
116.98625	36.0
117.03349	3.2
117.07036	0.9
119.04947	1.2
119.08582	1.7
121.06476	1.0
121.10162	3.1
123.04436	0.9
123.08041	1.2
123.11719	4.1
124.05209	1.6
124.99116	4.0
125.06018	1.8
126.97023	1.2
127.00668	1.1
128.06218	3.0
128.98607	53.5
129.05536	0.8
129.07004	8.3
131.00195	2.0
131.08542	1.1
133.10100	0.9
134.03473	0.6
134.99654	8.6
135.04425	6.3
135.08043	1.1
135.11687	2.3
136.99135	1.1
137.13260	2.1
139.03949	0.8
139.05418	1.6
140.00157	3.4
140.98595	1.8
141.06996	3.0
143.00160	10.8
144.98097	2.1
145.02844	4.6
145.10161	1.0
146.99658	21.4
147.04407	3.3
147.08052	0.8
147.11700	1.5
149.02306	1.1
149.09653	1.2
149.13292	2.9
151.03937	3.0
151.07565	1.0
151.14835	0.9
152.00197	4.0
155.00140	4.7
157.06494	9.6
158.01224	0.8
158.99660	5.9
159.08116	0.8
161.01239	10.9
161.05959	1.3
161.13287	1.2
162.99176	1.8
163.03908	34.9
163.11250	0.7
163.14841	1.7
165.00742	1.2
166.01768	1.6
167.04930	2.9
169.06465	2.7
170.01268	1.4
170.99658	32.0
173.01146	5.5
173.02234	1.1
173.05981	0.9
174.06763	1.2
177.00735	3.2
177.05531	0.8
179.02255	1.0
182.99658	5.9
183.04468	0.9
184.02803	1.2
185.06006	3.9
187.07487	1.7
188.08313	1.5
189.00716	28.4
189.05478	1.8
189.09091	7.5
191.03548	1.3
195.04419	0.7
199.07594	4.8
200.02319	0.9
201.00703	8.1
203.07021	1.2
207.01773	2.0
207.06508	1.2
212.02261	3.1
213.00783	2.4
213.05417	1.6
215.07033	4.0
217.04997	1.3
217.08591	7.2
217.19456	0.8
219.01775	1.9
224.02280	1.2
227.06978	5.3
231.01764	24.8
233.08159	1.7
239.06564	0.7
245.08119	17.4
249.02832	74.9
255.06798	0.7
259.09872	0.8
267.03879	9.6
272.04404	9.8
273.07645	3.0
273.18494	1.2
273.25897	1.6
282.10080	0.7
291.03812	0.9
291.08554	20.8
291.19659	4.3
291.23810	0.9
291.26785	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
56.96568	20.6
57.03441	0.4
58.21956	0.3
67.05527	0.3
68.96537	0.4
69.03424	0.9
69.07077	1.5
70.06591	0.3
71.04983	0.3
71.54115	0.3
71.95255	1.3
76.80411	0.3
79.05512	0.5
79.78216	0.2
81.03416	0.7
81.07066	0.4
84.96045	3.0
85.02925	2.2
85.06542	0.3
91.05471	0.9
93.07035	0.6
95.04955	0.6
95.08630	0.5
97.02884	0.6
98.97589	100.0
105.07013	0.7
107.04952	0.3
107.08585	0.3
109.02900	0.3
109.06553	0.5
110.97573	7.4
111.04435	0.5
111.08073	0.4
111.11739	0.4
112.99137	3.9
116.98627	34.5
119.00195	0.4
122.97588	1.6
124.99126	5.8
127.03933	0.7
128.98615	7.3
128.99585	0.4
131.00180	4.9
131.08556	0.3
133.10156	0.3
134.99660	7.5
135.08043	0.3
136.99086	0.3
138.97015	1.0
139.01604	0.3
139.03891	0.4
139.11249	0.3
140.00211	2.2
140.98599	4.4
141.12782	0.5
143.00172	16.7
144.08096	8.2
144.09241	0.4
144.98064	0.4
145.10165	0.4
146.99660	2.9
147.04417	1.9
149.01256	1.5
152.98576	0.6
153.00687	0.5
154.01736	0.3
155.00171	0.8
156.98151	2.2
157.01636	0.3
158.01230	0.4
158.99663	8.4
161.01237	17.0
161.09560	0.3
162.05444	0.2
162.99185	0.4
163.03951	0.4
166.01816	0.6
170.01221	0.3
170.99660	13.6
173.01245	2.5
174.99115	2.1
177.00729	8.0
179.02319	2.1
182.99672	9.6
184.02843	0.9
185.01257	1.3
189.00720	23.7
191.02269	1.6
193.00279	0.4
194.99934	0.3
195.01776	1.5
200.02348	0.3
201.00722	20.9
207.01793	4.7
212.02367	1.4
213.00670	1.7
219.01776	18.7
219.03986	0.4
219.71275	0.3
224.02304	0.7
227.11890	0.3
229.16109	0.4
230.99463	0.3
231.01755	4.9
237.02829	1.8
242.03432	1.6
245.12851	0.6
249.02844	26.2
250.03532	0.3
267.03882	8.0
272.04391	1.9
273.12363	0.5
273.18848	0.4
291.03848	1.0
291.09836	0.9
291.13245	1.8
291.16379	0.5
291.19855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	11.2
56.96569	39.1
61.01827	5.6
69.03420	25.6
69.07045	7.5
69.67355	38.0
70.06616	10.8
71.04995	25.3
81.03409	14.2
84.08135	10.1
84.96024	8.2
85.02901	39.3
86.09721	21.5
87.10034	15.0
91.05462	23.9
93.07043	14.8
97.02888	15.5
98.97585	100.0
98.98466	11.1
103.05456	7.4
105.07024	15.2
109.02887	8.5
110.97589	13.5
111.04402	9.2
111.08085	20.3
116.98632	41.8
119.04945	19.9
127.03924	21.5
128.06241	8.2
128.98592	10.0
129.05490	15.7
129.09094	31.9
130.06583	8.1
134.99724	8.5
139.01569	12.6
143.00145	15.8
147.04425	26.7
149.05992	10.0
158.99667	18.1
161.01247	26.0
163.03938	13.5
174.13173	21.7
177.00764	19.9
177.05518	12.7
179.08508	7.5
189.00769	9.2
189.05492	17.4
200.66974	7.4
201.05646	16.6
210.06499	16.7
219.01752	10.1
227.07042	12.1
245.08177	13.5
249.02818	12.8
267.03864	11.4
273.07614	12.9
291.01086	18.6
291.08994	27.5
291.12970	35.9
291.16315	9.7
291.19540	12.1
293.05484	7.7
309.08588	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	289.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83705	1.0
56.96567	1.1
57.03421	1.3
68.98303	1.0
69.03426	2.6
69.87007	4.5
70.06574	1.0
70.99858	2.9
73.02895	1.3
81.04510	0.9
82.99852	9.4
84.08139	2.2
85.02914	2.6
85.51872	1.0
89.00866	1.7
91.05476	3.3
97.01383	5.4
98.97592	3.9
101.00890	80.9
113.00873	8.0
113.03452	1.3
115.02438	23.1
116.98628	1.3
117.03989	2.2
119.01929	100.0
119.04944	4.5
126.98761	3.2
127.02395	3.0
127.03946	1.4
127.08720	1.7
129.04036	7.4
131.01920	16.0
133.03482	35.4
135.05032	1.5
137.02945	11.2
143.01907	30.3
144.99838	4.6
145.03523	6.5
147.01357	2.9
147.04243	2.1
147.05054	4.2
149.02975	3.3
151.04538	2.7
155.01897	2.4
157.03470	4.3
159.01440	3.2
161.02971	56.1
162.03218	1.2
163.04590	1.6
168.99817	16.5
169.01187	1.4
171.01431	9.6
173.02983	12.6
175.00848	2.9
175.04146	1.3
177.02443	2.5
179.03993	3.6
180.99936	1.4
185.03049	5.5
187.00894	36.7
187.02585	1.8
187.04536	3.3
189.02451	10.8
189.03970	1.5
189.05313	4.9
191.02379	1.8
191.04031	11.7
196.99361	7.6
199.00926	16.4
199.04596	1.8
201.02501	6.1
203.00601	2.4
203.04015	2.3
205.01970	15.0
207.03471	2.3
207.05086	1.2
215.00374	40.7
217.01953	24.0
219.03572	9.8
223.02960	1.6
229.01953	15.9
231.03555	3.8
233.01451	4.8
233.05086	4.4
234.05424	1.4
245.01532	2.2
247.03017	46.8
257.01215	1.9
259.03131	4.5
263.02573	1.1
265.03943	7.2
277.04153	5.4
289.04089	12.4
289.07693	4.1
307.05258	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	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51857	0.4
55.01878	1.1
56.96576	0.5
57.03432	1.1
58.99860	1.4
60.05643	0.6
61.02924	1.5
68.98288	1.0
69.03439	1.9
70.06606	2.1
70.35849	1.4
70.99870	2.5
71.05003	0.5
71.06927	0.5
72.08151	0.8
73.01446	0.7
73.02930	1.0
77.00911	0.5
81.03424	0.6
81.04536	0.8
82.99834	8.1
83.00294	0.6
84.08160	0.7
85.01410	0.6
85.02909	3.3
85.06520	0.5
86.09698	0.6
86.99327	1.1
87.04518	0.4
89.00909	1.2
91.02459	0.4
91.05498	0.9
97.01391	4.7
97.02895	1.4
98.97578	2.1
99.04483	0.5
101.00887	69.4
102.00952	0.5
103.02436	1.1
110.97613	0.5
113.00873	7.8
113.03503	0.4
114.98797	0.4
115.02436	20.0
116.07118	0.9
117.04026	2.3
119.01926	100.0
119.04919	1.2
120.02033	0.9
124.02490	0.9
125.00872	0.7
126.98806	1.9
127.02423	1.4
127.03949	1.1
127.05028	1.6
127.08669	1.7
129.00342	0.5
129.03999	5.9
129.10258	0.5
129.44055	0.4
131.00343	0.5
131.01915	15.0
133.03479	30.1
135.05028	1.4
137.02954	12.6
137.04010	0.4
139.02415	0.6
141.00290	0.5
142.03467	1.1
143.01901	25.9
144.99832	4.4
145.01640	0.6
145.03473	5.6
147.01393	2.5
147.05098	5.7
149.02963	2.7
151.04530	3.9
153.03979	0.5
155.01892	2.4
157.03484	5.3
158.99561	0.6
159.01401	1.7
161.02963	52.9
162.03157	0.6
163.04439	0.8
164.04211	0.5
168.99821	14.0
169.03464	1.3
171.01389	9.7
171.02766	0.7
172.99341	0.6
173.02969	12.2
174.03072	0.4
175.00920	3.5
175.04517	1.7
177.02463	1.6
178.55113	1.3
179.02597	0.6
179.03972	2.5
180.99834	0.8
184.04498	0.9
185.02957	3.8
187.00893	30.3
187.04433	3.0
189.02440	10.3
189.05534	1.3
191.04021	9.7
192.04691	0.4
193.02010	0.5
196.99313	7.5
199.00877	14.5
199.02774	0.7
199.04562	2.1
201.02457	4.9
203.00401	1.7
203.03981	2.2
205.01936	11.9
207.03462	2.5
207.06665	0.7
210.02524	0.7
215.00374	35.2
217.01950	24.6
219.01971	0.4
219.03529	8.1
221.01646	1.0
221.05074	0.8
223.03000	1.8
223.06573	1.1
229.01952	15.2
229.05469	0.9
230.13774	0.8
231.03528	3.5
233.01396	5.0
233.05138	1.2
235.03014	1.2
237.04681	0.8
238.02089	0.6
240.03442	0.6
245.01472	1.1
247.03004	36.9
251.02437	0.5
257.01474	1.3
259.03012	2.7
259.06747	0.9
263.02502	0.9
265.04013	6.8
270.04459	0.7
275.02591	0.7
277.04144	4.9
289.04071	13.5
289.07831	5.3
289.11099	0.6
289.17670	0.5
289.20624	0.7
293.03506	0.7
307.05222	9.2
307.08755	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.03962	0.7
54.06964	0.7
58.03707	0.6
60.33431	0.7
68.99789	2.5
69.03418	1.3
69.07047	0.9
70.07408	0.8
71.54140	1.4
73.02896	1.8
79.05476	0.8
84.08143	0.7
91.05499	4.1
95.04974	1.5
97.02901	1.1
98.97554	1.4
105.07027	1.2
107.04965	25.2
107.08598	1.0
108.39026	0.7
109.02884	0.9
109.10206	0.8
110.41084	0.9
111.00758	0.9
115.05467	1.0
116.98615	0.9
119.04942	3.1
121.02854	6.3
127.03934	2.8
131.04961	1.1
131.08588	1.0
135.04417	1.6
141.06985	2.3
145.06505	1.3
147.04341	1.4
147.08054	2.3
149.02345	58.8
149.09634	1.3
153.01840	20.8
159.08058	1.6
164.94937	0.8
167.03389	1.6
169.06516	5.0
173.05975	1.5
181.06442	1.0
182.12074	0.8
187.07571	2.3
195.29308	0.7
197.05975	6.1
215.07036	64.8
225.05281	1.3
237.54263	0.7
243.06540	100.0
247.03377	0.7
253.04980	2.3
271.06027	37.4
289.07132	3.4
289.11658	2.7
289.15518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.03949	0.8
55.01855	1.3
56.96557	1.7
57.03426	1.3
63.00030	0.7
65.03923	1.2
67.01598	0.4
67.01871	5.7
67.05494	1.4
68.99785	4.6
69.03424	3.1
69.07059	1.8
69.51028	3.3
71.01315	0.7
71.05000	0.9
73.02923	0.8
76.82191	0.6
79.05498	2.8
81.03426	1.7
81.07044	1.8
83.04970	0.5
85.02906	4.7
85.06499	0.5
86.09698	0.9
91.05484	3.2
93.07048	1.1
95.04963	4.2
95.08583	0.7
97.02897	2.8
97.06551	2.3
98.20779	1.0
98.97603	2.4
99.04449	1.4
105.07027	1.6
107.04958	58.6
107.08607	1.7
109.02876	1.2
109.10153	2.0
110.97592	1.0
111.00789	1.0
111.04442	3.5
115.03861	0.6
115.05479	0.5
115.07554	0.8
116.98618	1.4
117.07008	0.7
119.01812	0.6
119.04951	1.9
119.08575	1.8
121.02866	8.1
121.10127	1.4
123.04413	2.7
125.02370	1.1
125.09620	1.0
127.03922	16.3
129.01912	1.1
130.06544	0.9
131.04930	0.9
131.08598	1.1
132.08064	3.4
133.10068	0.6
135.04420	6.5
137.02396	0.7
139.03911	3.0
141.06973	2.2
145.02832	1.0
145.05003	0.7
145.06516	0.9
147.04428	1.6
147.08014	1.2
149.02342	51.1
149.09622	0.8
153.01831	100.0
156.33020	0.5
158.99664	1.1
159.08034	0.8
159.09171	10.0
163.03941	3.5
167.03409	8.5
167.10687	1.0
169.06511	4.3
171.02902	13.2
173.06015	0.8
176.03227	0.6
177.05540	0.6
183.02773	0.6
187.04053	0.6
187.07484	1.3
189.00781	0.9
195.02901	8.2
197.06003	5.0
215.07030	46.4
223.09090	0.8
225.05470	1.0
225.10216	0.7
231.27621	0.5
235.16837	0.6
242.05849	1.9
243.06534	46.5
249.02809	0.9
253.18141	0.6
268.08917	0.7
268.59119	0.7
271.06027	16.6
271.10724	1.2
280.10425	0.6
289.07065	14.4
289.11572	5.4
289.15390	1.0
289.18365	0.6
291.03833	0.7
303.09012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.95238	0.3
53.03940	0.7
55.01875	0.5
55.34578	0.2
56.96569	0.9
57.03440	0.5
61.02925	1.0
68.40624	0.3
69.03432	1.6
69.50117	0.8
69.50541	1.1
69.92697	0.2
70.06582	0.8
71.04986	0.4
72.08163	0.6
73.02882	0.5
74.06075	0.3
75.34399	0.3
79.05480	0.7
81.03416	1.1
81.07074	0.5
84.08143	0.6
85.02901	4.4
86.09733	0.7
87.04465	0.3
89.03894	0.5
91.03954	0.4
91.05486	1.2
97.02897	1.7
97.11602	0.3
98.97583	3.1
99.04450	0.5
105.07019	0.3
109.02885	1.2
109.06518	0.3
116.98620	1.0
117.03374	0.4
119.04944	1.1
119.08547	0.3
121.10152	0.3
124.99172	0.4
127.03913	100.0
129.03377	0.4
135.04419	1.1
143.00189	0.4
145.02850	0.4
145.04988	0.7
147.04407	1.2
149.05969	0.4
158.99649	1.1
161.01338	0.4
163.03917	2.5
164.04245	1.1
168.48244	0.3
175.03856	0.4
177.00752	0.7
177.05486	0.6
189.05447	1.7
190.05931	0.4
207.01704	0.3
207.06508	1.0
213.04057	0.4
232.99597	0.4
288.97864	0.4
289.12524	9.8
289.17508	0.4
289.20618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01857	1.4
55.05497	1.8
55.46471	1.0
61.02920	1.1
65.03911	1.6
67.05505	5.7
69.03439	6.7
69.07069	13.8
70.06336	3.0
71.04987	2.9
72.08140	1.1
72.13017	1.0
73.02913	1.0
74.06077	2.5
78.04711	1.1
78.14558	1.0
79.05498	6.4
80.05012	2.0
81.03400	3.4
81.07048	3.5
83.04948	1.8
83.08615	1.2
84.04502	1.3
85.02864	3.0
86.09703	2.2
91.05485	15.5
93.05780	2.6
93.07022	3.5
94.06573	16.5
95.04973	6.6
95.08607	1.4
97.02870	1.9
97.06545	6.2
98.20786	1.2
98.97578	3.6
103.05484	1.0
104.05000	5.5
105.03404	7.7
105.07026	2.5
107.04936	1.1
107.07318	1.3
107.08524	1.2
109.06512	1.2
110.06036	6.3
111.04420	1.7
112.07613	2.5
112.11221	1.1
116.04958	2.1
117.05726	1.4
118.06544	100.0
119.07323	18.2
119.08604	2.8
120.08104	10.6
121.02882	2.1
121.06510	1.3
122.06025	31.2
124.07591	3.2
125.04301	1.8
128.07082	9.2
130.06557	1.9
132.08031	1.1
133.08978	1.6
133.10132	1.6
134.06003	1.2
137.02365	1.1
140.07074	21.3
142.08633	4.4
145.10062	2.6
146.04832	2.2
146.06003	44.7
147.06784	30.7
148.07573	48.2
149.05952	1.3
149.09625	2.1
153.01808	2.8
157.06352	1.1
158.09627	2.1
160.07669	1.6
160.77490	1.2
164.07080	6.9
165.01825	1.6
168.08015	1.2
170.09647	2.1
171.10542	1.9
174.09048	3.2
177.05371	2.3
177.06758	1.9
181.08801	2.8
183.02834	1.5
183.10435	1.6
185.07048	3.9
186.09143	3.2
188.10709	2.8
189.11430	6.7
196.11234	3.7
197.10657	1.3
198.09235	1.7
198.12830	3.3
199.09950	3.9
209.08473	1.1
210.09103	1.7
213.10049	1.9
214.08710	1.3
214.12263	9.1
216.13788	3.2
223.14514	1.3
224.10687	3.8
224.12643	1.1
226.07306	1.7
226.12482	9.5
227.09435	2.2
241.09616	2.1
241.13335	6.2
242.11758	42.0
243.14934	54.2
252.10399	1.1
254.10524	1.8
259.14453	3.8
269.09933	2.0
269.12787	34.0
270.11234	61.1
275.97980	1.0
287.05484	34.3
287.10294	13.5
287.13870	55.2
287.16913	6.6
305.14935	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	287.2007
Annotation	17alpha-Methylestradiol
Peak:m/z	Relative Intensity
50.88037	1.1
52.85394	1.3
53.03949	1.6
55.05516	6.5
55.45178	1.2
56.96560	4.0
57.07065	5.2
59.05013	2.0
67.05508	11.7
68.99791	2.5
69.03424	2.9
69.07079	10.6
71.04975	3.3
71.55108	1.3
79.05492	8.4
81.03444	1.9
81.07069	9.9
82.00629	1.0
82.03706	1.2
83.04967	2.0
83.08624	4.3
85.02857	1.2
85.06538	2.9
91.05500	11.0
93.07051	16.7
95.04976	16.7
95.08615	16.1
97.06525	11.1
98.98457	1.4
103.05520	1.6
105.07037	17.5
107.04952	1.3
107.08607	23.6
109.06533	4.7
109.10165	6.9
111.00781	1.4
111.08092	1.8
115.05455	2.1
117.07023	8.0
119.04929	1.3
119.08590	21.6
121.02867	4.7
121.06515	2.4
121.10140	16.1
123.04367	1.6
123.08019	3.3
123.11713	2.9
124.99969	1.8
125.09668	1.3
128.06209	4.1
129.03314	1.9
129.07002	8.7
130.07805	1.8
130.51981	1.1
131.08568	21.3
133.10129	17.6
134.10925	2.3
135.08076	4.4
135.11700	4.1
137.02299	1.6
141.06966	2.8
142.07780	6.5
143.08575	16.6
144.09348	4.1
145.10133	18.6
147.08008	3.9
147.11700	9.6
149.09599	9.1
149.13234	3.0
151.11201	1.4
153.01767	6.0
153.06982	1.9
154.07718	1.4
155.08574	4.3
156.09322	8.6
157.06476	2.7
157.10132	16.5
158.10909	6.4
159.08061	2.7
159.11687	20.1
160.12396	2.6
161.09641	3.5
161.13260	4.1
165.01848	3.2
165.07005	2.9
167.08708	1.4
169.10204	6.3
170.10938	5.9
171.08070	2.1
171.11684	18.5
172.12512	3.0
173.09692	1.8
173.13275	22.4
175.11263	2.9
175.14830	3.5
177.06807	2.0
179.08551	1.4
180.09375	1.8
181.10083	3.4
183.02942	1.6
183.11700	3.7
184.08902	1.3
184.12538	1.6
185.13243	14.1
186.14050	4.7
187.11226	4.9
187.14850	10.1
189.03952	1.9
189.05495	23.0
189.12759	7.0
191.07048	3.4
191.14288	4.1
194.10915	1.6
195.11658	6.6
196.12393	1.8
197.13231	2.2
198.10381	2.7
199.11169	5.6
199.14818	5.0
201.12769	3.4
203.14388	4.8
209.13287	4.6
211.14842	5.3
213.05547	3.4
213.12782	16.7
213.16345	1.9
223.14629	1.2
225.16403	2.4
227.10661	2.1
227.14339	4.9
227.17926	1.9
229.15977	6.1
231.13853	10.0
236.15608	2.0
241.00156	1.5
241.15955	1.9
241.19434	6.2
251.17940	3.3
255.10088	1.4
269.19034	40.2
287.05505	100.0
287.12610	7.3
287.20071	88.0
287.23166	2.4
288.05798	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88037	1.1
52.85394	1.3
53.03949	1.6
55.05516	6.5
55.45178	1.2
56.96560	4.0
57.07065	5.2
59.05013	2.0
67.05508	11.7
68.99791	2.5
69.03424	2.9
69.07079	10.6
71.04975	3.3
71.55108	1.3
79.05492	8.4
81.03444	1.9
81.07069	9.9
82.00629	1.0
82.03706	1.2
83.04967	2.0
83.08624	4.3
85.02857	1.2
85.06538	2.9
91.05500	11.0
93.07051	16.7
95.04976	16.7
95.08615	16.1
97.06525	11.1
98.98457	1.4
103.05520	1.6
105.07037	17.5
107.04952	1.3
107.08607	23.6
109.06533	4.7
109.10165	6.9
111.00781	1.4
111.08092	1.8
115.05455	2.1
117.07023	8.0
119.04929	1.3
119.08590	21.6
121.02867	4.7
121.06515	2.4
121.10140	16.1
123.04367	1.6
123.08019	3.3
123.11713	2.9
124.99969	1.8
125.09668	1.3
128.06209	4.1
129.03314	1.9
129.07002	8.7
130.07805	1.8
130.51981	1.1
131.08568	21.3
133.10129	17.6
134.10925	2.3
135.08076	4.4
135.11700	4.1
137.02299	1.6
141.06966	2.8
142.07780	6.5
143.08575	16.6
144.09348	4.1
145.10133	18.6
147.08008	3.9
147.11700	9.6
149.09599	9.1
149.13234	3.0
151.11201	1.4
153.01767	6.0
153.06982	1.9
154.07718	1.4
155.08574	4.3
156.09322	8.6
157.06476	2.7
157.10132	16.5
158.10909	6.4
159.08061	2.7
159.11687	20.1
160.12396	2.6
161.09641	3.5
161.13260	4.1
165.01848	3.2
165.07005	2.9
167.08708	1.4
169.10204	6.3
170.10938	5.9
171.08070	2.1
171.11684	18.5
172.12512	3.0
173.09692	1.8
173.13275	22.4
175.11263	2.9
175.14830	3.5
177.06807	2.0
179.08551	1.4
180.09375	1.8
181.10083	3.4
183.02942	1.6
183.11700	3.7
184.08902	1.3
184.12538	1.6
185.13243	14.1
186.14050	4.7
187.11226	4.9
187.14850	10.1
189.03952	1.9
189.05495	23.0
189.12759	7.0
191.07048	3.4
191.14288	4.1
194.10915	1.6
195.11658	6.6
196.12393	1.8
197.13231	2.2
198.10381	2.7
199.11169	5.6
199.14818	5.0
201.12769	3.4
203.14388	4.8
209.13287	4.6
211.14842	5.3
213.05547	3.4
213.12782	16.7
213.16345	1.9
223.14629	1.2
225.16403	2.4
227.10661	2.1
227.14339	4.9
227.17926	1.9
229.15977	6.1
231.13853	10.0
236.15608	2.0
241.00156	1.5
241.15955	1.9
241.19434	6.2
251.17940	3.3
255.10088	1.4
269.19034	40.2
287.05505	100.0
287.12610	7.3
287.20071	88.0
287.23166	2.4
288.05798	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.01863	0.2
56.96551	0.3
65.03942	0.3
67.01846	0.2
67.05502	0.2
68.99446	0.2
68.99788	1.7
69.03432	0.2
70.54633	0.2
70.54997	0.2
79.05472	0.4
81.03400	0.3
81.07056	0.1
91.05482	0.3
93.07076	0.2
95.04957	0.2
97.02916	0.1
97.06521	0.3
98.97530	0.2
103.05499	0.2
104.07178	0.1
105.03389	0.9
105.07004	0.1
107.04948	1.0
107.08578	0.2
109.02892	0.6
111.00806	1.3
111.04463	0.2
113.67052	0.1
115.05484	0.2
119.08606	0.1
121.02872	5.6
121.06501	0.2
121.10092	0.1
123.04457	0.2
124.01564	0.1
127.03886	0.1
128.06197	0.1
129.07013	0.2
131.39359	0.1
133.02852	1.1
135.04391	0.3
137.02359	2.0
141.06999	0.3
145.06471	0.3
147.04413	1.3
153.01834	9.2
157.06493	1.1
161.05986	0.3
163.03876	0.2
165.01837	2.9
166.02493	0.1
169.06514	0.2
171.04378	0.6
175.03943	0.2
183.02919	1.5
185.06003	1.0
189.05481	0.4
195.12859	0.1
197.05956	0.2
197.75322	0.1
199.03854	0.1
203.03423	0.1
203.07043	0.3
212.04628	0.1
213.05479	3.2
215.07190	0.1
216.04062	0.1
229.04984	0.3
231.06514	1.2
241.04974	1.5
243.06604	0.2
243.79726	0.1
258.05267	1.9
259.06085	0.7
259.08963	0.1
269.04492	0.4
277.11383	0.1
287.05499	100.0
288.05692	0.6
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	0.3
61.73974	0.2
65.03917	0.2
67.01862	0.3
68.99793	1.7
69.21217	0.2
69.47113	1.3
79.05498	0.4
81.03429	0.2
95.04991	0.2
97.02865	0.2
98.20731	0.2
105.03387	0.8
107.04957	1.1
109.02869	0.6
111.00797	1.5
111.04448	0.2
121.02869	6.1
121.03897	0.3
127.03978	0.2
129.07030	0.2
133.02864	0.9
135.04373	0.3
135.07994	0.2
137.02341	1.8
145.06494	0.5
147.04410	1.2
153.01837	9.7
156.59578	0.1
157.06471	1.1
161.05968	0.5
163.03952	0.2
165.01840	3.7
171.04419	0.5
175.03899	0.2
183.02901	1.7
185.05954	1.2
197.05977	0.4
199.04018	0.2
203.07124	0.3
208.31944	0.2
213.05502	2.8
229.05086	0.2
231.06573	1.1
241.04936	1.4
258.05283	1.9
259.05991	0.9
267.37790	0.2
269.04565	0.3
286.04901	0.2
287.05505	100.0
288.05814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49339	0.1
53.03931	0.1
55.01858	0.1
58.92482	0.1
65.03938	0.2
67.01856	0.2
68.99792	1.7
69.03421	0.2
71.05006	0.1
71.05344	0.2
73.39867	0.1
79.05496	0.4
81.03407	0.3
91.05475	0.1
95.04965	0.2
97.02835	0.1
103.05460	0.1
105.03383	0.7
105.07027	0.1
105.23801	0.1
107.04961	0.9
109.02898	0.5
111.00805	1.2
111.04444	0.2
115.05431	0.1
117.07067	0.1
119.04879	0.1
121.02872	5.5
121.03851	0.2
121.06499	0.1
123.27419	0.1
127.03925	0.2
128.06227	0.1
129.03610	0.1
129.06992	0.3
133.02856	1.0
133.06445	0.1
135.04460	0.4
137.02345	1.7
139.05435	0.1
141.06976	0.2
145.06516	0.4
147.04413	1.0
151.03897	0.1
153.01834	8.6
157.06485	1.1
161.02422	0.1
161.05910	0.4
165.01843	3.1
166.02568	0.1
169.06488	0.1
171.04422	0.6
175.03822	0.1
175.07600	0.1
183.02887	1.2
185.05983	1.0
189.05508	0.2
197.05994	0.2
199.03786	0.1
201.05531	0.1
202.06374	0.1
203.03430	0.2
203.07109	0.2
212.04651	0.1
213.05472	2.5
216.04266	0.1
217.04919	0.1
229.02911	0.1
229.05019	0.3
231.06522	1.1
232.14568	0.1
241.04977	1.2
242.05956	0.1
243.06561	0.2
245.04539	0.1
257.04465	0.1
258.05252	2.0
259.06055	0.7
269.04401	0.4
287.05502	100.0
288.05856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.08081	0.1
52.81421	0.1
53.03937	0.2
55.01871	0.2
55.05494	0.1
56.96579	0.2
64.99728	0.1
65.03941	0.2
67.01853	0.2
67.05490	0.2
68.99464	0.1
68.99792	1.8
69.00135	0.2
69.03413	0.2
69.07066	0.2
71.04992	0.1
79.05496	0.7
81.03388	0.3
81.07046	0.3
85.02888	0.1
91.05479	0.4
93.03404	0.1
93.07050	0.2
95.01351	0.1
95.04970	0.3
95.08611	0.3
97.02911	0.1
97.06519	0.3
98.21615	0.2
103.05464	0.3
105.03400	0.8
105.07037	0.3
107.04958	1.0
107.08588	0.2
107.59478	0.1
109.02889	0.9
111.00805	1.4
111.04436	0.3
111.62855	0.1
115.05441	0.2
117.07008	0.1
119.04921	0.2
119.08591	0.2
121.02876	5.8
121.03867	0.2
127.03906	0.3
129.07001	0.2
131.04909	0.1
131.25116	0.1
133.02867	1.0
135.04407	0.4
135.11685	0.2
137.01373	0.2
137.02362	2.0
141.06981	0.2
143.00040	0.1
145.06494	0.5
145.10197	0.1
147.04408	1.2
147.11716	0.1
153.01839	9.5
157.06483	1.2
161.02350	0.1
161.05998	0.3
163.03911	0.2
163.11169	0.2
165.01849	3.3
169.06563	0.2
171.04393	0.6
175.03946	0.1
179.03485	0.1
183.02898	1.6
184.05086	0.1
185.05992	1.3
189.05475	0.3
191.07100	0.2
194.02092	0.1
197.05974	0.3
199.03841	0.1
201.05447	0.1
201.16391	0.1
203.03439	0.2
203.07062	0.3
213.05489	2.7
215.07077	0.1
216.04242	0.1
217.05019	0.2
222.55872	0.1
229.04955	0.3
229.88994	0.1
231.06544	1.0
234.05013	0.1
241.04990	1.4
243.06543	0.3
258.05289	1.9
259.06042	0.7
259.09674	0.2
264.42841	0.1
269.04437	0.4
286.04568	0.2
287.05508	100.0
288.05835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03939	3.2
55.01863	3.4
55.05273	2.3
55.05512	24.0
57.03440	44.2
58.06598	1.5
59.05003	1.4
66.27543	1.4
66.99723	1.5
67.05509	37.7
67.05850	1.2
69.03426	6.1
69.07063	9.5
71.04997	9.1
79.05496	32.6
81.03421	80.0
81.07057	43.5
83.04980	18.7
83.08627	31.3
85.02906	73.9
85.03304	1.3
85.03433	1.9
85.06541	3.1
87.04470	2.1
91.05482	41.7
93.07046	27.2
95.04969	33.2
95.08613	17.3
97.02889	4.3
97.06532	7.2
97.10162	3.2
105.07034	29.4
107.04964	6.7
107.08584	8.8
109.06484	8.6
109.10172	5.9
111.04480	3.9
111.08102	17.2
113.06006	4.3
115.05494	2.1
119.04985	1.7
119.08579	29.9
121.06487	2.6
121.10147	13.2
123.08063	3.2
123.11736	3.3
126.54107	1.6
129.07016	12.4
131.08577	13.5
133.06453	4.2
133.10124	14.3
137.09700	1.7
142.07773	5.3
145.19833	1.6
147.08025	4.9
147.11691	23.1
149.09610	6.1
157.10129	19.6
165.12767	6.0
175.11211	23.5
193.12250	88.5
211.13306	64.7
237.95096	1.7
242.05798	6.5
267.15875	3.9
270.05261	4.5
285.07608	22.2
285.16977	100.0
285.24008	2.8
298.26294	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05494	10.0
55.26529	2.6
57.07068	5.0
59.21491	2.5
61.52866	2.3
67.05507	17.4
69.03402	2.1
69.07069	34.8
70.15985	2.1
70.67110	8.0
71.04982	5.5
79.05522	14.1
81.03419	4.3
81.07057	24.4
83.05013	2.7
83.08607	8.4
91.05481	13.3
93.07043	17.7
95.04959	8.5
95.08604	30.4
97.06514	8.3
97.10157	3.3
103.96990	2.4
105.07037	30.5
107.08591	25.1
109.06531	17.8
109.10142	15.1
109.38916	2.3
111.08077	5.8
117.06992	4.4
119.08577	58.9
121.06478	6.4
121.10150	20.9
123.08095	3.8
123.11732	11.9
128.06195	2.3
131.08549	6.9
133.10124	34.5
135.08028	9.4
135.11711	10.0
137.09616	5.6
143.08582	4.4
145.10083	12.7
146.07204	5.6
147.08009	3.6
147.11684	16.8
153.01779	2.8
155.08475	3.1
157.10152	5.3
159.11685	7.5
161.09630	71.0
161.13251	4.5
161.67445	2.9
169.10132	4.8
171.11774	4.4
173.13292	4.0
175.11224	5.6
175.14832	38.9
177.16376	9.1
185.13306	6.6
189.16295	2.8
193.12247	3.1
193.15900	5.8
197.13307	6.9
205.15990	3.0
211.14929	6.1
215.17938	3.3
225.54910	2.5
242.05783	30.9
267.21106	9.6
270.05341	14.0
270.08017	2.2
280.25912	2.3
285.07574	100.0
285.11047	7.9
285.16983	2.8
285.22046	19.7
285.29843	3.3
285.33362	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	285.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	48.1
56.96559	9.2
57.03428	9.4
57.07068	26.7
67.05140	3.2
67.05505	47.1
69.06728	5.0
69.07070	59.9
69.54167	12.4
69.54584	6.9
71.05000	13.2
71.08629	18.0
72.09013	2.6
73.09555	2.5
79.05488	14.5
81.03416	24.3
81.06592	6.3
81.07058	97.7
83.04974	5.5
83.08620	63.4
83.19632	2.4
85.02905	10.6
85.06567	2.9
85.10187	6.0
87.04488	4.2
91.05473	13.2
93.07053	10.7
95.04966	11.8
95.08615	100.0
97.10164	41.2
105.07040	12.9
107.08602	8.3
109.10163	80.6
111.08115	4.5
111.11725	18.0
115.80765	2.5
119.08577	9.7
121.10150	7.6
123.11724	50.9
125.13227	3.5
129.06973	3.6
131.08563	8.4
133.10152	4.8
137.13252	16.0
145.10104	5.1
147.11694	8.7
149.09633	3.2
151.14790	7.2
157.10101	6.6
165.16446	5.4
175.11229	5.2
182.99197	2.7
183.11662	3.4
186.96765	7.7
193.12227	21.0
211.13248	15.1
235.19684	3.0
242.05818	21.9
249.25816	10.9
267.26859	4.6
270.05237	11.9
284.66592	3.4
285.07620	76.6
285.11050	7.8
285.16422	17.7
285.22153	6.3
285.30182	3.6
285.33484	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	286.3102
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05517	0.2
56.05025	0.2
57.05804	0.2
57.06790	0.3
57.07074	5.7
58.06584	1.1
62.06088	0.2
62.09391	0.1
64.11800	0.1
67.61071	0.1
69.33293	0.8
69.33704	0.3
70.06588	1.4
71.08625	2.7
72.08151	19.2
80.45985	0.1
85.10184	1.1
87.04479	0.3
88.07619	1.6
90.09188	15.8
91.05503	0.2
95.08639	0.1
106.54290	0.1
109.10173	0.2
143.28600	0.2
166.32147	0.2
174.18530	0.2
189.05486	0.5
212.23782	0.4
230.24734	0.9
240.26929	0.3
242.28392	0.8
286.04907	0.2
286.07861	0.3
286.31015	100.0
287.05722	0.3
287.31293	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.03940	0.1
60.34233	0.1
65.03933	0.3
67.01853	0.2
68.99446	0.2
68.99792	1.7
69.03424	0.1
69.47557	0.4
69.47978	0.2
79.05503	0.5
81.03400	0.2
85.02922	0.1
91.05466	0.1
95.04977	0.2
103.05502	0.1
105.03413	1.0
107.04949	1.0
109.02877	0.7
111.00808	1.5
111.04436	0.3
115.05447	0.2
117.07059	0.2
119.04919	0.2
121.02872	5.5
121.03864	0.2
127.03926	0.2
129.07031	0.2
133.02858	0.8
135.04407	0.3
137.02345	1.8
137.03297	0.2
139.05432	0.1
141.07001	0.3
145.06500	0.4
147.04414	1.2
153.01833	9.6
155.05974	0.1
157.06487	1.3
161.05952	0.4
165.01845	3.3
171.04422	0.6
175.03908	0.1
183.02882	1.2
184.05133	0.1
184.80812	0.1
185.05965	1.0
189.05428	0.2
194.02138	0.1
197.05968	0.3
201.05441	0.1
203.03508	0.2
203.07037	0.2
212.04555	0.1
213.05463	2.7
217.04997	0.1
223.03757	0.1
229.04941	0.4
231.06509	1.2
241.04922	1.5
258.02560	0.1
258.05246	2.2
259.06046	0.9
269.04474	0.4
287.05496	100.0
288.05768	0.6
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	Hysterone D
Peak:m/z	Relative Intensity
53.03940	3.1
54.66994	1.8
54.72222	1.6
55.01846	5.4
55.05506	15.2
55.76181	1.8
56.96547	4.6
57.03438	28.6
59.22072	1.7
67.05509	28.3
69.03390	3.1
69.07080	12.6
71.04963	7.3
71.55409	3.0
79.05499	25.1
81.03423	100.0
81.07057	31.8
83.04974	11.2
83.08625	30.8
85.02908	43.2
85.06531	2.8
91.05489	29.6
93.07039	20.4
95.04974	38.9
95.08612	14.3
97.02906	3.9
97.06512	3.6
97.10159	3.5
98.97523	4.8
100.25407	1.9
105.06421	2.0
105.07037	22.1
107.04915	6.2
107.08589	9.2
109.06458	4.8
109.10101	6.0
111.04394	4.4
111.08091	15.0
113.06001	2.1
115.05420	2.0
119.08575	23.8
121.06434	1.9
121.10158	12.6
123.11681	5.0
125.09631	2.4
129.07021	12.6
131.08569	13.9
133.06436	5.3
133.10130	9.4
142.07700	2.6
143.08507	2.1
145.10075	2.1
147.07991	3.1
147.11688	18.6
149.09535	6.2
154.12019	1.8
157.10127	19.7
159.11592	3.2
165.12756	3.8
169.10008	2.8
175.11185	21.7
193.12253	90.5
211.13297	53.0
229.14235	3.3
242.05600	7.2
247.97949	2.1
254.13132	2.1
267.15863	19.5
270.05142	3.4
285.07413	23.8
285.10596	4.0
285.16849	59.4
285.21930	2.8
285.29120	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.09056	0.6
53.03939	3.2
55.01869	2.0
55.05274	0.7
55.05508	8.4
57.03444	8.4
67.05501	11.9
69.03426	2.4
69.07059	2.8
71.04979	1.4
79.05493	12.9
81.03419	100.0
81.06593	1.0
81.07056	12.6
83.04984	5.4
83.08620	20.4
83.42703	0.7
85.02908	10.0
85.06556	0.9
91.05486	14.4
93.07045	8.8
95.04967	27.6
95.08595	3.8
97.02901	2.1
97.06541	1.2
97.10162	1.5
98.20717	1.5
98.97588	1.3
105.07032	10.1
107.04971	6.5
107.08580	3.6
109.06525	2.8
109.10176	1.7
111.04453	1.9
111.08089	11.5
113.06042	0.8
115.05479	1.4
117.06989	1.0
119.08585	9.6
121.06514	1.9
121.10115	4.2
123.08072	1.3
129.07007	9.2
131.08565	7.5
133.06517	2.3
133.10133	3.9
137.09647	2.0
142.07802	2.6
145.10158	1.3
147.08084	2.7
147.11691	7.4
149.09627	4.3
157.10146	10.8
163.11148	0.9
165.12796	2.8
173.53477	0.6
175.11194	12.7
177.00806	0.8
193.12245	68.3
211.13304	14.9
241.12140	0.8
267.15927	17.4
267.18619	1.1
285.07806	0.9
285.10977	0.8
285.16965	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03948	2.7
55.01867	3.1
55.05508	15.5
56.96553	5.1
57.03436	23.9
64.31241	1.2
67.05194	1.3
67.05508	20.5
69.03410	5.0
69.07050	4.6
71.04987	8.5
76.83543	1.4
77.73500	1.3
79.05491	18.2
81.03419	88.4
81.07060	29.7
83.04991	10.0
83.08624	33.2
85.02906	42.9
91.05483	25.4
93.07043	14.5
95.04961	30.2
95.08596	9.6
97.02872	4.6
97.06508	4.6
97.10155	4.0
105.07030	19.5
107.04922	8.0
107.08595	8.6
109.06525	4.2
109.10130	5.4
111.04441	2.6
111.08063	12.4
113.05978	3.2
115.05485	1.5
117.06993	2.0
119.08577	21.7
121.06557	2.5
121.10143	9.9
123.08045	1.6
123.11678	1.9
125.09614	1.6
129.06992	10.2
131.08568	13.8
133.06464	4.5
133.10123	6.5
137.09645	2.6
142.07813	2.5
147.08028	3.8
147.11682	16.3
149.09593	6.6
157.10127	17.6
159.11662	1.9
161.13249	1.6
165.12755	4.3
175.11218	17.8
193.12245	84.2
195.76027	1.5
211.13283	57.1
229.14339	2.6
242.05655	3.0
243.63406	1.9
267.15955	17.1
270.05371	2.3
285.07730	9.9
285.16934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03942	4.1
53.64180	1.5
55.01871	3.4
55.05510	13.9
57.03439	22.7
61.02913	1.6
65.03903	1.2
66.18187	1.3
67.05511	19.4
69.03421	3.7
69.07071	5.5
70.77746	2.5
71.04987	4.7
79.05494	23.5
81.03423	100.0
81.07054	23.3
83.04983	8.4
83.08158	2.3
83.08625	26.9
85.02910	33.0
85.06505	1.6
85.12945	1.2
91.05484	19.2
93.07049	14.4
95.04968	30.4
95.08611	8.3
97.02887	4.5
97.06512	4.1
97.10168	2.8
99.04520	1.4
99.08093	2.1
101.29602	1.1
101.90276	1.1
105.07034	17.8
107.04967	7.0
107.08604	6.0
109.06518	5.2
109.10174	2.8
111.08078	14.5
113.06030	1.9
117.07079	1.4
119.08575	16.9
121.06523	1.5
121.10157	7.3
123.08050	3.5
129.07014	12.3
131.08568	10.6
133.06493	4.5
133.10118	8.7
137.09634	2.4
142.07814	2.1
145.04985	2.0
145.10072	2.0
147.08052	3.9
147.11691	14.5
149.09616	4.0
157.10149	14.5
165.12764	3.3
170.49448	1.2
175.11185	17.4
188.52731	1.1
193.12253	79.4
199.35567	1.2
211.13303	34.6
267.15900	18.6
285.16962	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01855	2.8
55.05515	26.5
55.93063	2.3
57.03439	47.1
58.79652	2.4
67.05504	34.4
69.03419	3.4
69.07044	11.1
69.22541	22.0
71.04977	6.4
79.05495	34.0
81.03419	71.5
81.06599	2.7
81.07057	43.4
83.04989	18.2
83.08228	2.7
83.08621	31.3
85.02907	72.3
85.06549	2.9
91.04987	3.2
91.05492	40.3
93.07045	27.5
95.04967	34.1
95.08599	18.9
97.02904	4.3
97.06506	6.4
97.10159	3.8
101.61501	2.2
105.06421	2.6
105.07048	30.5
107.04942	5.2
107.08582	10.5
109.06500	6.5
109.10153	6.4
111.04434	3.7
111.08099	16.0
113.06042	5.2
119.08591	28.1
121.06474	3.1
121.10136	13.7
123.08129	4.2
123.11700	3.2
125.09618	3.5
129.06975	10.7
131.08589	18.5
133.06487	5.8
133.10152	15.9
147.08015	3.7
147.11681	20.2
149.09608	12.5
157.10147	18.7
165.12714	7.3
175.11191	24.5
193.12251	85.3
211.13307	60.2
219.68349	2.8
242.05719	26.5
270.05164	13.1
285.07632	89.9
285.11047	8.0
285.16943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03938	5.0
55.01863	4.4
55.05272	1.8
55.05514	21.9
57.03162	2.4
57.03437	46.2
61.46217	1.2
66.99020	1.0
67.05507	37.8
69.03419	4.3
69.07073	8.1
70.72304	2.8
71.04998	8.7
79.05493	36.3
81.03419	77.7
81.07057	47.0
81.98515	1.1
83.04982	18.2
83.08614	29.6
85.02906	69.1
85.06539	2.3
91.05485	39.6
93.07047	27.8
95.04974	35.0
95.08595	15.3
97.02885	4.3
97.06544	6.7
97.10159	3.2
99.08071	2.9
105.07032	30.9
107.04971	5.9
107.08596	10.6
109.06522	6.6
109.10151	4.3
111.04432	3.2
111.08082	17.9
113.05991	6.4
115.05491	1.8
117.07012	1.6
119.08582	23.8
121.06481	2.1
121.10156	11.4
123.08053	4.7
123.11713	3.6
127.07558	1.9
129.07021	14.0
131.08580	15.3
133.06483	3.0
133.10123	15.9
137.09569	2.1
142.07745	4.6
145.10104	1.6
147.08054	4.1
147.11691	22.6
149.09642	11.2
157.08939	2.2
157.10141	18.6
163.11118	1.5
165.12778	4.9
175.11177	25.3
183.13773	1.4
186.63416	1.3
193.12250	79.2
211.13300	58.8
215.74277	1.4
229.14339	2.0
232.03152	1.2
267.15921	10.2
285.07867	2.2
285.16962	100.0
294.67722	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03934	2.9
55.01866	3.4
55.05277	1.1
55.05515	17.0
57.03441	37.5
59.04987	1.4
63.43670	1.2
65.03922	1.4
65.23177	1.2
66.39112	1.2
67.05139	1.5
67.05505	32.7
69.03415	3.9
69.07072	9.7
69.43889	9.4
71.04993	7.7
79.05494	31.3
81.03423	84.8
81.07059	40.3
83.04978	14.9
83.08152	1.9
83.08624	29.1
85.02909	58.7
85.06544	1.9
87.04408	1.4
91.05488	45.3
93.07042	21.1
95.04971	33.7
95.08613	16.1
97.02890	5.3
97.06543	6.7
97.10168	2.9
98.21455	2.3
99.08100	2.9
105.07034	33.1
107.04960	8.3
107.08603	9.3
109.06537	7.3
109.10159	2.8
111.04419	4.3
111.08071	19.0
113.06001	5.0
117.06995	2.3
119.08591	24.8
121.10143	11.8
123.08054	2.8
123.11684	3.1
125.05992	1.8
128.06168	1.3
129.07008	13.0
131.08569	14.3
133.06487	3.2
133.10133	13.4
135.11736	1.1
137.09613	2.6
142.07780	3.8
147.08012	5.3
147.11705	23.7
149.09610	8.8
157.10132	18.7
160.46588	1.5
165.12759	4.9
175.11188	23.4
175.12576	2.0
182.79643	1.3
193.12251	92.6
211.13295	55.4
229.14439	1.2
267.15933	9.4
285.16974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03941	3.4
55.01866	2.7
55.05514	13.2
56.96563	0.9
57.03156	1.3
57.03436	21.9
65.03925	1.4
67.05510	19.0
69.03423	3.7
69.07076	5.2
70.90440	2.2
71.04984	5.1
73.02907	0.8
73.04377	0.8
79.05493	20.7
81.03419	100.0
81.07056	22.2
83.04991	10.2
83.08619	25.8
85.02902	34.4
85.06528	2.3
91.05484	23.9
93.07040	12.2
95.04973	32.3
95.08602	6.7
97.02885	3.9
97.06516	3.5
97.10168	2.0
99.08064	1.3
105.06319	1.2
105.07033	18.9
107.04965	6.6
107.08620	4.2
109.06532	3.8
109.10152	2.4
111.04434	2.3
111.08078	15.1
113.05991	1.9
115.05455	1.9
116.06242	0.9
117.07021	1.5
119.04986	1.1
119.08589	17.4
121.10149	9.9
122.88844	0.8
123.08071	3.1
123.11694	3.3
125.79404	0.9
129.07002	8.8
131.08578	10.0
133.06490	3.6
133.10127	7.6
137.09715	1.1
142.07762	2.1
147.08064	2.9
147.11690	17.7
149.09631	6.3
157.10139	12.1
165.12772	4.4
175.11185	21.3
193.12253	80.1
211.13287	43.2
215.69579	0.9
229.14397	3.7
244.03041	1.8
249.14882	0.9
253.03632	5.2
267.15897	15.5
285.16971	52.4
287.05576	4.9
297.80670	0.9
298.13922	1.0
304.32321	0.9
305.95755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.92536	2.1
53.03918	2.5
55.01854	4.1
55.05511	20.6
57.03440	43.9
67.05503	30.5
69.03410	7.1
69.07049	8.2
69.72095	1.9
71.04970	6.6
76.13295	1.9
77.01149	1.7
79.05489	31.2
81.03416	79.9
81.07056	42.9
83.04984	15.7
83.08159	2.4
83.08620	30.3
85.02903	80.5
85.06555	3.5
91.05484	39.3
93.06506	1.8
93.07043	25.1
95.04461	2.4
95.04966	29.3
95.08612	17.2
97.02880	4.3
97.06511	7.5
97.10148	4.5
98.20715	3.9
99.08057	3.0
105.07031	25.9
107.04944	6.4
107.08591	13.2
109.06483	6.3
109.10134	5.9
111.04417	4.2
111.08076	19.1
113.05975	7.0
117.06984	2.4
119.08575	24.5
121.10120	13.5
123.08043	4.2
123.11723	4.9
127.03881	1.9
128.06039	1.9
129.06998	12.1
131.08617	15.6
133.06435	3.1
133.10129	11.5
137.09619	3.1
142.07724	3.1
145.10086	3.5
147.07988	3.8
147.11694	20.6
149.09618	8.8
157.10138	20.5
165.12762	6.8
175.11177	25.0
193.12242	100.0
211.13281	76.3
225.09056	3.4
229.00191	2.2
229.06516	4.9
239.17966	2.3
242.05716	5.4
253.08519	6.0
267.09067	2.2
267.15851	4.3
270.05206	3.8
285.07806	16.5
285.10669	5.4
285.16922	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03938	3.1
53.78351	0.7
55.01868	1.8
55.05512	5.6
57.03444	6.5
62.84719	0.8
65.03912	0.9
67.05511	12.1
69.03433	1.5
69.07063	1.0
69.48009	6.2
71.04991	2.0
74.71970	0.7
79.05496	10.4
81.03420	100.0
81.07055	9.5
83.04982	6.4
83.08620	20.8
85.02913	4.5
91.05481	16.3
93.07035	6.2
95.04971	28.3
95.08598	3.2
97.02894	2.9
97.06548	1.1
105.07034	12.1
107.04965	6.7
107.08578	2.7
109.06509	2.6
111.04430	2.2
111.08083	11.8
115.05453	1.5
119.08590	8.6
121.06528	1.1
121.10159	3.2
123.08070	1.3
123.11678	0.9
125.67454	0.8
129.07014	8.2
131.08571	7.1
133.06477	3.1
133.10139	4.2
137.09631	1.1
142.07768	1.7
145.10146	0.8
147.07999	2.8
147.11687	7.6
149.09671	4.8
157.10144	10.0
165.12718	1.3
175.11177	12.6
185.82886	0.9
193.12250	61.2
211.13292	10.5
262.87823	0.8
267.15915	13.6
285.07700	1.6
285.16992	7.3
304.43524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01870	1.9
56.96559	1.9
57.03431	1.3
58.32477	0.8
59.04998	0.7
60.04532	5.7
62.77276	0.8
65.03924	1.2
66.94667	0.7
67.05509	5.2
69.03451	4.3
69.77246	1.4
69.77658	3.3
70.06596	6.5
71.01353	1.2
71.04993	1.5
73.02876	0.9
79.05508	4.5
80.05046	0.8
81.03429	5.0
81.07049	2.2
82.06586	1.2
83.04984	2.2
84.04501	1.8
85.02905	2.3
86.06078	2.2
86.09692	2.3
87.04488	1.1
91.05481	12.1
93.03379	1.0
93.05752	0.9
93.07037	1.2
94.06571	10.0
95.01336	1.1
95.04973	10.4
96.04501	3.2
97.02901	9.5
98.97575	3.4
103.03931	2.5
105.03393	3.6
107.04947	2.9
108.08076	1.9
109.02875	3.3
109.06508	2.1
110.06051	10.5
111.04462	5.1
112.07602	4.0
116.98612	1.4
118.06535	3.3
119.04940	11.6
119.08543	1.2
121.02850	3.1
121.06535	1.2
122.03187	1.6
122.06046	10.3
123.04439	7.8
124.03960	3.6
124.07616	1.5
125.02344	11.3
125.06078	0.8
127.03934	1.2
128.07080	3.4
133.82935	0.7
134.06006	3.4
135.04430	3.1
136.07588	8.0
137.05974	2.0
138.05496	1.5
139.03906	88.4
140.03368	1.3
140.04306	1.0
140.07069	5.5
146.06009	6.9
147.04408	14.6
148.03943	0.8
148.07587	0.9
149.02315	1.9
150.05545	1.4
150.09154	1.6
151.07597	0.9
152.07074	2.3
153.05377	1.2
154.04991	1.1
162.05521	3.1
163.07562	1.6
164.07069	14.0
165.05489	4.1
166.04980	0.8
168.06702	1.2
174.05470	6.8
175.03915	13.2
177.05467	1.3
178.08659	5.8
179.07079	1.0
180.06538	0.9
181.04939	4.1
182.05389	4.2
182.08214	1.7
188.07071	2.5
189.05487	1.6
192.06564	16.6
193.04936	4.5
196.09702	1.9
206.08125	13.6
207.06503	5.1
210.07622	19.1
216.06606	2.5
218.08124	2.3
224.09207	12.1
225.07547	1.5
234.07532	3.9
238.10847	1.3
241.08623	1.3
242.10263	6.2
248.09271	2.6
252.08684	40.4
254.11005	3.9
266.10379	2.7
270.09613	2.0
284.11334	100.0
284.29507	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01865	3.4
55.05511	20.9
57.03436	39.7
57.07058	5.0
58.61066	3.6
59.28226	3.2
62.72912	3.2
66.64082	3.2
67.05502	33.5
69.07056	11.0
71.04980	13.6
71.08620	3.6
71.20919	7.6
72.04481	3.9
79.05490	31.9
81.02985	5.6
81.03418	69.7
81.07056	54.4
83.04997	17.1
83.08614	26.4
85.02435	5.0
85.02908	66.6
85.06550	4.4
89.57162	3.4
90.51893	3.0
91.05483	39.7
93.07039	34.9
95.04970	33.8
95.08611	18.4
97.06506	9.3
97.10188	3.4
105.07037	32.0
107.04972	6.6
107.08579	8.4
109.06504	8.1
109.10173	4.0
111.08089	20.6
113.05975	4.8
119.08566	23.7
121.10129	16.8
123.11710	7.0
129.06958	11.4
131.08553	14.6
133.06378	4.0
133.10117	13.0
145.10118	4.9
147.08063	3.8
147.11685	28.0
149.09608	8.6
157.10121	17.7
165.12723	6.2
175.11189	28.1
193.12236	82.0
211.13298	65.7
242.05727	23.6
270.05353	16.0
285.07611	100.0
285.10709	7.7
285.16946	97.6
285.29840	82.2
285.33041	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	283.2056
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03934	6.1
55.01861	4.2
55.05511	13.6
56.96537	2.1
57.03422	7.1
57.07057	4.4
65.59213	1.9
67.05510	31.8
69.03436	10.6
69.07066	17.0
71.04988	26.6
74.95531	1.9
79.05491	30.4
81.03421	3.5
81.06599	2.9
81.07053	53.0
82.27444	1.9
83.01321	2.1
83.04961	8.5
83.08589	6.9
85.06535	4.0
86.81209	2.1
91.05476	36.5
93.06490	4.2
93.07046	59.9
95.04964	15.9
95.08601	26.4
97.06549	10.5
98.21552	3.2
98.97579	2.0
105.07030	67.0
107.04928	4.8
107.08595	48.0
109.06539	11.4
109.07151	2.3
109.10155	24.8
111.08080	3.7
115.05415	3.3
116.06214	2.5
117.07022	16.3
119.08575	49.3
120.30422	2.1
121.02840	2.0
121.06491	10.4
121.10143	100.0
123.08074	12.2
123.11723	10.0
125.09617	2.5
129.07037	9.9
130.07770	9.3
131.08563	40.6
133.06503	2.1
133.07553	3.4
133.10126	41.1
135.08026	11.9
135.11688	14.2
137.09607	2.3
139.07516	2.5
142.07782	5.2
143.08528	20.9
144.09354	5.0
145.06419	2.8
145.10129	61.9
146.07260	4.7
147.08046	4.6
147.11687	12.9
149.09567	4.0
149.13246	5.3
153.12723	4.9
155.08574	3.3
156.09346	4.2
157.10141	17.2
158.10854	6.8
159.08009	2.7
159.11664	14.5
161.09612	35.3
161.13229	4.9
163.11177	15.4
165.06927	3.6
169.10091	3.3
171.11665	14.9
173.09686	4.5
173.13268	84.5
175.11081	3.6
175.14836	8.2
179.08492	4.1
181.10182	4.7
181.12244	3.9
183.11687	5.3
185.13237	7.3
187.14865	11.2
191.14320	7.1
194.10895	3.9
195.11684	6.7
199.14806	6.1
201.12596	2.6
201.16319	3.3
209.11571	3.3
209.13290	9.5
213.16377	2.3
216.78632	2.3
223.14850	3.1
225.16403	3.5
225.75653	2.3
227.12668	5.8
255.21021	8.6
265.19589	16.8
283.15781	12.7
283.20538	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2054
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
51.48347	1.8
51.75385	2.1
53.03925	3.4
54.53580	2.0
55.01856	4.0
55.05510	13.5
57.03436	3.4
57.07058	3.1
59.16677	1.9
59.40138	1.9
66.89424	1.8
67.05499	21.8
69.03439	10.0
69.07056	15.7
69.34110	14.8
70.06515	2.0
71.04977	15.9
75.35453	2.1
78.51690	2.1
79.05487	22.8
80.06216	2.0
81.03343	1.9
81.07056	43.3
83.04964	4.8
83.08587	6.1
85.06548	2.1
91.05481	28.1
93.06488	2.9
93.07044	42.8
95.04977	13.0
95.08606	27.6
97.06524	8.1
105.07030	61.8
107.04932	2.6
107.08581	42.9
109.06530	11.9
109.10146	22.2
111.04475	2.2
111.08018	2.5
111.30222	2.1
115.05441	2.7
116.06216	2.1
117.07036	17.6
119.08577	48.9
121.06500	9.7
121.10141	83.2
123.08047	8.1
123.11686	7.1
128.06201	5.1
129.06996	8.8
130.07785	7.0
131.08580	33.2
133.10120	41.8
135.08046	11.8
135.11685	13.3
137.09666	4.3
142.07784	6.9
143.08563	22.1
144.09325	6.7
145.06520	3.3
145.10118	56.0
146.07253	4.1
147.08012	4.7
147.11694	11.7
149.09526	2.7
149.13258	2.7
155.08571	7.3
156.09343	3.4
157.10133	23.5
158.10910	8.5
159.08011	3.5
159.11717	18.3
161.09627	29.3
161.13251	7.4
163.11191	8.4
165.07132	2.6
169.10129	6.9
170.10873	2.8
171.11703	11.0
172.08687	2.4
173.09616	6.2
173.13263	68.4
175.11159	3.9
175.14780	7.3
179.08482	4.3
181.09935	3.1
182.10950	2.4
183.11697	5.7
185.09560	3.8
185.13281	10.0
187.14825	12.4
189.12753	4.2
191.14304	3.9
194.10909	6.6
195.11647	10.3
197.13206	3.2
199.11180	2.6
199.14804	8.8
201.16383	4.6
207.11726	2.9
208.12463	4.1
209.13225	16.7
210.14023	4.0
211.14822	2.4
213.12708	5.1
213.16353	4.6
223.14769	9.4
225.16402	3.9
227.14581	4.2
235.15010	2.1
239.17781	2.9
241.15692	2.5
250.17143	2.7
255.21159	9.7
263.14749	2.7
265.19498	23.4
279.92926	2.2
283.15494	4.6
283.20551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03932	5.8
55.01634	2.0
55.01876	23.6
55.05278	2.8
55.05516	39.3
55.64382	2.2
57.03440	42.6
57.07063	2.0
59.04990	6.9
60.16489	1.7
67.05517	25.6
69.03414	3.4
69.07065	9.5
69.51900	1.5
69.94930	8.4
71.01347	2.3
71.04998	9.8
77.39555	1.4
79.05497	40.8
79.64993	1.6
81.03423	21.5
81.07054	32.6
83.01350	30.4
83.04982	27.8
83.08233	1.9
83.08631	24.1
84.46503	1.5
85.02883	7.0
85.06503	2.8
91.05484	23.4
92.46590	1.6
93.07048	53.6
95.04984	13.6
95.08619	13.9
97.02888	4.5
97.06542	8.4
97.10189	2.3
99.04493	4.2
105.04472	1.8
105.07036	19.0
107.04966	14.8
107.08593	23.6
109.06541	12.0
109.10143	4.8
111.04447	6.0
111.08105	3.7
117.07022	15.2
119.08572	14.5
121.06506	6.3
121.10155	14.6
123.08078	19.8
125.05962	4.7
125.09634	3.0
129.07030	4.2
130.07794	3.0
131.08565	7.7
133.10130	5.1
135.08046	5.7
135.11700	30.6
137.09598	2.4
143.08588	2.4
145.06442	2.3
145.10135	37.1
147.08080	3.2
149.09563	2.1
153.12750	10.4
155.08571	2.7
163.11194	60.3
173.09634	7.7
181.12251	13.1
191.10666	7.3
209.11743	24.2
227.12793	14.9
233.20601	1.8
283.15417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03934	2.8
55.01871	18.9
55.05514	34.3
57.03439	34.5
57.07059	4.9
57.95237	2.2
58.04095	1.7
59.04994	4.0
61.02552	1.5
62.42252	1.7
65.03931	2.2
67.05505	27.7
69.03410	3.6
69.07063	12.7
69.26128	9.0
69.26551	7.5
71.04977	6.2
73.02912	1.6
79.05492	43.1
81.03414	14.7
81.06593	2.3
81.07055	36.1
83.01335	12.1
83.04980	23.9
83.08616	21.7
85.02889	6.3
85.06538	2.9
89.05989	1.9
91.05482	25.3
93.07041	59.9
95.04958	12.5
95.08606	32.8
97.02888	3.5
97.06543	10.9
97.10146	3.5
99.04462	5.1
105.07034	23.4
107.04953	15.8
107.08590	32.4
109.06517	9.3
109.10163	5.4
111.04429	8.2
111.08073	5.9
111.11718	2.2
117.07005	19.3
119.08588	27.7
121.06506	13.6
121.09322	3.4
121.10139	38.5
123.08068	9.8
125.06008	3.6
130.07787	2.3
131.08553	5.3
133.10130	13.7
135.08049	4.5
135.11693	51.4
137.09598	2.0
138.69212	1.9
139.07524	3.1
145.06479	2.2
145.10121	41.5
147.08032	4.5
147.11678	14.2
149.09596	2.0
153.12738	8.6
155.08504	2.6
160.08873	1.6
163.11186	85.6
173.09595	6.4
175.11179	7.8
181.12227	22.1
191.10651	5.1
193.39058	1.8
209.11729	17.8
227.12776	100.0
270.40143	2.1
283.15503	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03935	4.5
55.01875	27.3
55.05510	44.6
57.03437	43.2
57.07059	4.8
59.05002	7.2
67.05179	2.0
67.05508	26.7
67.05850	3.0
67.12831	1.4
69.03417	2.7
69.07053	10.7
70.49892	3.1
70.50285	2.6
71.01363	1.7
71.04989	8.5
71.08629	1.7
75.15258	1.4
77.03907	1.5
79.05495	44.0
81.03426	20.8
81.07054	43.9
83.01342	26.0
83.04984	28.8
83.08619	30.5
85.02909	9.4
85.06524	1.7
86.88841	1.4
89.06050	2.2
91.05479	30.9
93.07044	59.9
95.04967	15.1
95.08602	18.0
97.02887	5.0
97.06539	14.2
97.10152	3.9
99.04447	5.2
99.58290	1.7
100.07440	1.5
103.05460	1.9
105.07027	18.6
107.04948	14.9
107.08591	25.1
108.63349	1.6
109.06521	16.8
109.10150	4.1
111.04416	7.7
111.08080	5.4
111.11732	1.9
117.07014	17.5
119.08593	19.9
121.06515	8.1
121.10161	18.2
123.08060	17.6
125.05988	3.3
125.09590	3.5
129.05440	1.6
129.07014	2.9
130.07825	3.7
131.08556	7.9
133.10101	4.1
134.09557	2.0
135.08034	3.9
135.10078	2.4
135.11700	28.7
135.12708	2.0
137.09599	2.6
139.07623	1.5
142.15121	1.3
143.08551	2.0
145.10118	38.4
147.08025	3.8
149.09663	2.7
153.12740	8.8
155.08562	3.6
163.11177	65.9
173.09596	9.6
181.12222	13.2
191.10646	7.7
209.11703	25.5
209.13600	1.5
227.12798	18.4
265.62933	1.5
283.15402	100.0
283.22501	5.9
283.28149	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01865	6.1
55.05518	12.0
57.03444	12.8
57.07065	2.8
58.15292	1.2
67.05502	19.4
69.03428	2.1
69.07063	7.8
71.04995	2.3
73.02927	1.9
79.05497	23.4
81.03388	3.7
81.07053	22.4
83.04477	1.2
83.04974	5.2
83.08620	11.0
89.06027	2.1
91.05486	8.3
93.07041	37.0
95.04982	7.1
95.08607	37.3
97.02901	2.5
97.06531	6.2
97.10149	2.0
98.21535	3.0
99.04459	4.3
105.07039	10.1
107.04961	9.1
107.08591	30.9
109.06493	2.0
109.10120	3.1
111.04436	3.3
117.07018	9.4
119.08566	9.5
121.06509	8.2
121.10152	14.6
125.06015	3.5
130.07811	2.7
131.08510	1.7
133.08568	1.7
133.10133	3.6
135.07993	1.6
135.11696	46.7
145.06398	1.5
145.10126	30.5
153.12776	2.0
163.11188	64.8
163.12567	3.2
177.11218	1.4
181.12230	14.3
227.12767	100.0
241.14424	1.8
254.66144	1.3
283.15414	30.5
283.22601	2.4
283.28436	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.76185	0.9
51.51507	1.0
53.03933	2.8
55.01628	1.7
55.01872	23.9
55.05277	1.8
55.05513	28.6
57.03437	29.8
57.07063	2.5
57.39121	1.1
59.04993	5.6
66.77114	1.2
67.05180	2.0
67.05504	26.4
69.03429	2.4
69.07064	10.6
69.47295	2.6
69.47706	6.0
71.01334	1.3
71.05015	7.2
79.05498	32.8
81.03420	19.2
81.07056	30.9
83.01335	15.3
83.04981	49.4
83.08618	18.2
85.02916	6.9
85.06511	2.4
91.05487	18.3
92.88499	1.1
93.07043	44.0
95.04952	8.3
95.08609	17.1
97.02879	3.7
97.06520	14.0
97.10177	2.0
98.20801	2.4
99.04456	3.9
99.08078	1.4
105.06514	1.1
105.07042	13.5
107.04953	17.9
107.08593	21.4
109.02874	1.5
109.06511	9.3
109.10153	9.1
111.04443	19.4
111.08078	6.8
117.07013	8.8
119.08582	12.4
121.06496	5.0
121.10145	14.6
123.08057	10.1
125.05979	4.1
125.09608	2.3
129.07001	2.2
130.07791	1.6
131.04913	1.8
131.08519	5.6
133.10083	1.5
135.08043	2.2
135.10704	2.2
135.11693	33.2
137.09612	3.2
139.07542	2.8
145.10112	22.7
147.08063	2.3
149.09607	1.6
151.03932	2.6
153.12738	51.5
155.08492	2.8
162.98427	1.3
163.11179	43.2
173.09610	7.4
181.12234	24.4
191.10704	15.3
209.11700	14.1
224.12230	1.1
227.12782	33.8
283.15393	100.0
296.25125	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84656	0.3
56.96546	0.6
57.03423	1.1
67.05476	0.2
67.75370	0.2
69.03420	0.4
69.07069	3.1
69.97427	1.2
79.05479	0.5
81.03415	0.5
81.07050	0.3
81.57045	0.2
83.39040	0.2
85.02904	0.6
88.03974	0.5
91.05466	1.0
94.04045	0.8
95.04938	0.3
97.02917	0.3
97.06530	1.9
98.97592	1.5
102.42589	0.2
103.07556	0.2
104.05836	0.3
107.76788	0.2
116.98598	0.7
117.86765	0.3
119.03580	1.7
119.04922	0.7
119.08652	0.3
120.08121	0.9
121.08445	0.8
129.09123	0.5
134.09665	0.3
136.06190	100.0
137.04576	1.2
137.06525	1.1
147.04420	0.9
150.07751	4.2
158.99657	0.9
162.04147	0.6
163.04454	0.8
175.03906	0.3
177.00726	0.7
177.05571	0.3
189.05524	0.8
200.20331	0.3
201.07477	0.3
207.06563	0.3
213.04196	0.4
219.01814	0.4
236.09041	0.6
240.04904	0.3
250.13010	23.7
264.08548	0.4
282.09442	4.1
282.13297	6.0
282.15738	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01863	1.1
55.05502	1.1
57.03432	1.8
61.02926	0.3
65.03944	2.1
66.09627	0.3
67.05508	1.8
69.03432	4.6
69.07058	0.6
71.01357	0.3
71.04986	0.8
71.39809	0.4
79.05500	1.4
80.40086	0.3
81.03418	8.5
81.07049	1.7
83.04981	1.0
83.08598	0.5
85.02908	4.9
91.05486	0.9
93.07039	1.5
95.04974	5.2
95.08605	0.8
95.69128	0.4
97.02889	3.0
97.06535	0.4
99.04443	1.3
105.04453	0.3
105.07009	0.4
107.04950	0.8
107.08606	1.3
109.02885	3.7
110.13617	0.3
111.04443	2.9
113.05934	0.3
115.29421	0.3
117.07013	0.7
119.08582	0.6
121.02869	100.0
121.10172	0.8
122.03223	0.4
127.03896	1.5
131.08595	0.4
135.11685	1.5
135.55286	0.3
139.03897	7.3
139.04924	0.6
145.10144	1.1
151.03937	0.3
153.12695	0.5
163.11179	2.5
177.05441	0.4
181.12212	0.4
191.10614	0.7
207.22668	0.3
209.11737	5.3
224.81825	0.3
227.12756	2.7
265.07047	5.8
283.08127	1.9
283.15353	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01871	0.5
55.05500	0.6
56.84653	0.2
57.03440	1.5
61.02923	0.3
65.03939	2.3
67.05488	0.8
68.18467	0.2
69.03431	4.7
69.07056	0.5
69.61407	1.0
69.61820	0.3
69.62196	0.2
71.01343	0.3
71.04990	0.5
74.30978	0.2
78.43893	0.2
79.05502	1.0
81.03419	9.7
81.07044	1.1
82.75555	0.2
83.04974	0.3
83.08649	0.3
85.02908	5.0
85.06521	0.2
91.05486	0.4
93.07030	1.3
95.04962	5.0
95.08617	1.1
97.02895	2.3
97.06510	0.3
98.20809	0.4
99.04446	1.1
107.04957	1.0
107.08617	1.0
109.02877	3.8
111.04443	1.4
117.07068	0.3
119.08572	0.5
121.02869	100.0
121.10204	0.5
122.03146	0.3
127.03937	1.5
135.11717	1.3
139.03911	8.4
145.10130	0.9
151.03975	0.3
153.12747	0.4
163.11143	1.8
181.12225	0.5
209.11578	1.1
223.06081	0.3
227.12772	2.7
265.07080	6.1
283.08139	1.7
283.15314	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03930	3.6
55.01871	30.1
55.05512	33.9
56.96555	2.7
57.03439	28.4
57.07062	3.9
59.05006	6.1
59.70826	1.2
63.18219	1.1
67.05505	27.8
69.03400	3.8
69.07066	12.8
69.90329	5.8
71.01360	2.2
71.04999	7.2
73.02898	1.4
79.05495	34.0
81.03417	18.1
81.06590	2.0
81.07056	31.0
82.32133	1.4
83.01337	15.8
83.04981	43.9
83.08621	20.5
85.02911	8.9
85.06551	3.1
91.05487	17.7
93.06489	2.4
93.07048	44.6
94.50826	1.3
95.04979	11.0
95.08613	20.4
97.02936	7.0
97.06532	18.3
97.10159	2.5
99.04451	5.9
99.08125	1.6
105.07042	13.4
105.61216	1.1
107.04960	13.5
107.08585	25.7
109.06548	7.5
109.10178	9.2
111.04438	20.0
111.08073	8.8
117.07011	12.1
119.08588	14.2
121.02835	2.5
121.06514	6.6
121.10136	15.6
122.35398	1.4
123.08064	8.9
123.11707	1.6
125.05980	5.0
125.09612	1.7
129.07008	3.6
131.08559	6.3
133.10136	2.1
135.08034	2.3
135.11696	34.1
136.06256	2.1
137.09636	2.3
139.07549	2.2
145.06548	1.6
145.10126	23.6
147.07985	3.2
147.11711	1.4
149.09676	2.9
151.03880	3.6
153.12749	53.2
155.08559	2.1
163.11179	44.6
173.09619	9.7
181.12245	29.0
191.10689	14.0
199.13208	1.3
201.76588	1.3
209.11731	15.0
227.12772	38.0
227.14944	2.4
283.15384	100.0
285.10043	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03930	2.8
55.01873	20.3
55.05511	36.6
56.96553	2.9
57.03440	38.0
57.07067	1.7
59.04985	6.1
60.29874	1.6
65.03933	2.1
67.05173	2.5
67.05502	23.6
69.03411	3.8
69.07062	9.2
71.01341	2.7
71.04987	5.3
79.05492	33.0
81.03419	21.5
81.07054	34.5
83.01343	20.4
83.04982	26.3
83.08619	21.1
85.02879	7.9
85.06541	3.0
91.05486	21.5
93.06495	2.8
93.07041	40.2
95.04964	14.2
95.08614	14.1
97.02866	4.8
97.06527	7.7
97.10133	2.6
99.04425	5.3
105.07039	18.7
107.04951	17.7
107.08601	23.0
109.06508	12.9
109.10139	4.8
111.04424	7.4
111.08062	3.0
117.07021	13.3
119.08582	18.0
121.02926	1.7
121.06550	4.0
121.10138	12.6
123.08064	14.1
125.05983	2.8
125.09677	1.8
129.07028	1.7
130.07773	1.6
131.08557	5.5
133.10077	2.7
135.08054	4.0
135.11700	30.5
137.09677	2.4
139.07455	1.7
145.10124	26.6
147.08107	3.0
153.12749	9.1
155.08533	2.4
163.11186	55.9
173.09676	7.6
181.12299	13.4
191.10651	9.1
193.12251	1.9
199.75706	1.5
209.11746	23.0
226.55461	1.6
227.12738	11.7
237.20317	1.9
283.15402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02773	0.6
56.96303	0.7
56.96569	9.3
62.76628	0.5
70.73119	1.4
71.95272	2.4
82.75272	0.5
86.56544	0.5
98.97588	100.0
101.00889	0.9
116.98627	59.2
119.01908	3.5
134.09702	0.8
134.99664	21.6
137.03021	0.8
140.00197	1.8
153.00685	2.9
158.01273	0.7
170.99866	0.6
177.00940	2.4
179.00780	0.7
201.01056	0.8
211.08316	0.7
219.02034	11.8
220.02130	1.4
234.99719	0.9
236.98602	3.9
240.95554	0.5
240.96463	0.7
240.98515	4.0
241.09323	1.4
258.99759	52.7
259.10376	2.4
260.00204	0.9
277.00784	71.0
281.98270	1.0
282.01129	1.4
282.22208	2.1
283.00046	0.9
299.91022	0.8
300.02545	2.0
301.01071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01866	2.5
56.96558	3.7
57.03437	7.1
58.23453	0.6
59.04991	0.6
61.02929	10.3
65.55314	0.8
65.95078	0.6
67.05511	1.0
69.03428	20.6
69.07082	1.5
70.06594	0.8
70.20941	1.5
70.21329	1.8
71.04990	2.3
72.08153	1.1
73.02911	6.3
81.03426	6.7
81.07051	0.8
84.08121	0.9
85.02906	100.0
85.06547	22.3
85.06933	0.4
87.04467	2.9
91.03951	8.2
91.05487	3.2
93.07050	1.4
95.04964	0.8
97.02895	20.0
97.06519	0.9
98.01323	0.8
98.97591	21.3
98.98213	1.4
99.04457	5.2
99.97910	2.7
101.02358	0.8
103.03921	1.0
103.07581	2.4
107.01835	1.2
109.02879	8.3
109.06548	1.2
110.97601	1.7
111.02084	1.4
111.04480	0.9
112.99146	0.8
115.03934	2.0
116.01365	0.7
116.98631	8.1
119.01809	0.8
119.04961	2.8
120.02599	2.4
120.08140	2.4
120.10207	0.9
121.06533	0.8
121.08464	1.0
123.08062	0.9
127.02978	1.7
127.03924	28.5
129.03081	3.7
129.53316	0.8
131.01808	1.0
134.09711	0.7
134.27704	0.7
134.99622	1.1
135.02650	0.8
135.04411	0.9
136.06186	17.9
140.55267	0.7
141.03082	1.8
143.00179	0.8
143.01866	0.8
145.04961	52.9
146.99673	1.2
147.03084	1.9
147.04416	3.3
149.01216	1.6
150.07755	17.1
152.06879	1.3
153.03024	0.9
153.07234	0.9
156.03592	2.2
158.99680	5.2
161.01297	2.0
161.02922	1.4
162.01505	0.8
162.03729	0.8
163.06020	17.3
170.03372	1.3
171.04208	1.1
172.85408	0.6
173.03143	0.8
176.58931	0.7
177.00726	3.2
177.05490	1.1
178.01012	0.9
179.02269	3.1
180.02597	1.2
189.05522	3.6
190.10394	0.7
191.03957	1.0
192.04704	14.3
192.54860	0.8
193.03172	2.4
195.33719	0.8
197.03342	0.7
201.05209	16.7
201.55348	1.2
207.06601	1.8
211.09500	0.8
213.04323	1.0
219.01746	1.5
221.03429	2.8
222.03745	0.8
225.07776	0.8
229.10742	8.0
239.04333	9.6
240.04770	5.6
257.05576	0.9
281.05356	4.9
282.05704	4.6
282.09714	1.7
282.13278	2.1
282.16049	3.6
282.22229	1.1
291.83475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	0.9
56.96564	9.3
57.50363	0.4
69.03436	0.6
70.51862	0.5
70.68817	0.9
71.95271	0.5
85.02914	0.6
98.97585	100.0
100.99143	1.3
101.00910	0.8
110.97561	0.9
112.99137	1.2
116.98621	19.7
119.00188	1.0
124.99121	6.3
128.98666	0.9
131.00159	6.2
134.66438	0.5
134.99658	3.1
140.00162	0.5
143.00166	10.0
147.04497	1.0
147.62709	0.5
149.01221	7.2
155.00146	2.1
158.99666	12.9
159.00876	0.5
161.01215	10.7
161.02654	0.6
163.08766	0.5
167.02246	0.7
173.01248	3.0
177.00711	5.0
179.02277	15.8
185.01228	1.2
189.05531	0.6
191.02306	2.5
197.03354	4.5
207.06572	0.7
221.03307	12.2
239.04381	47.4
257.05414	7.2
265.95419	0.5
281.05438	41.8
299.06476	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.08445	1.3
53.03954	8.3
55.01854	5.0
55.05513	33.4
56.96566	6.9
57.03169	1.7
57.03440	29.4
57.07073	1.9
65.03926	2.8
67.05507	86.4
69.03443	1.9
69.07075	15.7
70.77496	2.3
70.77823	1.7
70.98119	5.1
71.04967	2.4
73.06545	3.7
75.04475	1.9
79.05496	100.0
81.03429	15.7
81.07059	67.3
83.04509	1.9
83.04987	33.6
83.08612	9.9
85.06539	3.3
91.05482	73.4
91.49786	1.2
93.07047	76.3
95.04977	27.6
95.08611	39.2
97.02942	1.5
97.06527	6.1
97.10142	5.9
98.97578	2.2
105.04507	1.6
105.07031	54.0
107.04977	8.3
107.08587	27.2
109.06538	8.1
109.10161	7.8
111.08088	2.0
117.07004	8.4
119.08585	32.6
121.06500	4.6
121.10151	6.4
123.08078	8.2
127.07532	2.8
128.06233	2.0
129.07011	19.8
131.08537	3.2
133.06467	3.1
133.10123	16.3
135.08101	1.5
135.11682	3.2
136.00565	1.4
143.08551	11.4
145.10127	12.0
147.08037	2.7
147.11691	46.0
156.09341	3.2
159.11768	1.7
161.06053	1.7
161.09610	6.9
161.13260	23.0
163.11287	1.7
171.11694	33.1
179.14287	1.9
189.05450	5.7
189.12744	13.9
191.03603	1.5
205.01740	1.9
207.13795	20.6
212.04169	1.5
221.04562	2.1
222.05443	1.5
247.07503	1.6
253.03873	1.7
281.17462	74.2
286.88446	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.34029	1.0
53.03942	9.3
53.45255	1.0
55.01881	5.9
55.02083	1.1
55.05513	38.6
57.03437	30.0
57.07078	1.8
65.03937	3.6
67.05505	82.5
69.03417	3.6
69.07069	15.6
69.15074	1.4
71.04995	3.4
73.06554	2.8
77.03926	2.5
79.05492	100.0
81.03421	15.5
81.07054	62.6
83.04978	38.2
83.08617	10.1
85.06533	2.8
88.46574	1.2
91.05481	72.8
93.07043	71.6
93.07541	1.3
95.04967	27.1
95.08607	39.0
97.02885	2.4
97.06543	5.8
97.10149	6.0
98.97582	3.2
99.08091	2.2
103.05458	1.3
105.04509	2.2
105.07029	48.8
106.40512	1.0
107.04947	9.6
107.08591	28.6
109.06519	9.5
109.10162	7.9
111.08064	3.1
115.05446	1.9
117.07010	12.4
119.08578	35.1
121.06493	4.4
121.10133	7.0
123.08092	6.5
123.11670	1.6
125.09676	1.6
127.07514	2.0
128.06194	2.6
129.06995	16.5
131.08545	3.4
133.06503	1.9
133.10129	15.8
135.08063	3.3
135.11678	5.0
143.08578	10.8
145.10117	15.8
147.08078	2.8
147.11682	40.7
151.11172	1.8
159.11668	1.8
161.09567	6.4
161.13271	18.3
163.11133	1.9
171.11691	34.9
179.14314	1.9
189.12788	12.4
195.59555	1.2
207.13803	17.8
212.09895	1.1
229.49272	1.3
239.04219	1.7
281.17462	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03952	9.8
55.01867	6.1
55.05516	33.6
55.28842	1.3
57.03441	33.5
57.07074	3.0
62.27719	1.1
65.03936	3.5
67.05508	92.3
69.03423	3.3
69.07072	17.4
69.82111	2.6
69.82529	4.1
71.04975	4.0
71.08617	1.7
73.06551	3.5
76.85982	1.1
77.03875	1.5
79.05499	100.0
81.03425	15.8
81.07061	74.2
83.04495	2.2
83.04989	38.9
83.08623	13.1
85.02917	1.5
85.06538	4.6
91.05489	70.7
93.07047	76.7
95.04974	29.3
95.08609	45.7
97.02897	2.6
97.06528	6.1
97.10172	7.0
98.20713	1.1
98.97560	3.2
99.08117	1.3
101.05989	1.3
103.05438	1.5
105.04525	1.8
105.07036	56.4
107.04960	10.7
107.08607	23.5
109.06541	10.0
109.10168	12.7
110.52711	1.2
111.04532	1.3
111.08102	2.6
111.11742	1.6
115.05457	1.6
117.07024	12.4
119.08588	36.0
121.06514	3.8
121.10139	6.5
123.08076	9.5
123.11742	1.6
125.09603	1.2
127.07603	1.6
128.06261	2.6
129.07010	22.0
131.08565	4.4
133.06531	2.4
133.10129	15.1
135.11717	3.0
135.45117	1.2
137.09654	1.4
137.13303	1.6
138.43907	1.3
141.09106	2.3
141.87639	1.0
143.08588	10.9
143.73390	1.3
145.06352	1.1
145.10136	12.6
147.08043	2.6
147.11699	44.3
149.02365	1.9
150.02682	1.9
151.14819	1.3
157.10199	1.4
159.11699	2.1
161.09648	6.6
161.13281	16.8
163.11182	1.3
171.11705	39.5
176.62144	1.2
179.14333	2.4
189.12752	13.9
207.13846	19.6
239.17744	1.1
245.40379	1.2
281.17493	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43977	0.3
52.96027	0.3
53.03934	1.1
53.36348	0.3
55.01862	0.8
55.05511	13.7
56.96562	0.7
57.03429	0.4
57.07074	1.9
58.43924	0.4
58.62766	0.3
65.03944	1.0
67.05498	1.9
68.99784	0.6
69.03445	0.5
69.07064	6.6
69.24992	2.9
78.59069	0.3
79.05506	4.1
81.07059	1.8
83.04984	0.8
89.03912	1.8
91.05463	1.0
93.07032	1.3
94.75001	0.3
95.04968	0.5
95.08594	1.2
97.02815	0.4
97.06530	10.4
98.97600	0.5
99.08061	0.5
101.04684	0.4
103.05466	3.5
105.01873	0.4
105.07024	0.7
107.04963	1.3
107.08589	0.9
109.10143	0.5
111.04436	0.5
117.03378	2.2
119.08577	0.6
121.02855	3.1
121.03990	0.8
121.81668	0.3
122.96057	0.3
123.11685	0.4
129.01848	0.6
129.06946	0.4
131.04932	10.9
133.02797	0.7
133.04950	1.2
133.10104	0.5
134.03615	1.7
135.04419	4.2
135.11710	0.5
145.02849	3.4
147.11714	0.5
149.02341	100.0
149.13232	0.3
150.02640	0.4
151.03877	0.6
156.23010	0.4
157.04962	4.7
161.02348	1.1
162.03148	0.5
163.03903	19.8
165.06944	0.3
167.03421	1.3
173.02333	1.2
173.05939	0.4
179.03351	0.5
180.04147	1.0
181.06366	0.3
185.05870	0.4
185.56383	0.3
189.05423	0.4
190.05023	0.4
191.03374	3.8
195.08075	0.5
197.40872	0.4
203.07022	2.3
205.08589	2.9
215.07068	1.4
217.04942	7.2
233.07988	0.7
241.08691	2.0
259.09653	25.5
277.08340	0.7
277.14352	5.9
277.17935	1.3
277.21591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02386	0.9
53.03952	5.6
55.01848	0.8
55.05514	17.6
57.07073	3.1
60.34778	0.7
61.33097	0.7
65.03961	1.4
67.05508	28.9
69.03458	0.9
69.07069	14.3
69.34072	1.8
69.34480	4.9
71.04995	1.7
77.03931	1.5
79.05497	68.1
81.07062	34.2
83.04976	1.3
83.08614	8.9
85.06533	1.9
91.05486	25.3
93.07049	100.0
95.04989	4.9
95.08611	24.7
97.06546	1.3
97.10186	4.3
105.04524	1.8
105.06357	0.5
105.07035	14.3
107.08599	47.4
109.06517	2.1
109.10160	11.9
111.08089	0.9
114.21606	0.7
117.07046	2.4
119.08595	9.9
121.10148	42.9
123.11681	3.5
125.09642	1.8
129.06993	2.3
131.08577	4.7
133.10149	11.9
135.08098	0.9
135.11699	51.1
137.13194	1.4
143.08560	2.5
145.10143	3.3
147.11717	7.7
149.09648	1.2
149.13269	22.3
157.10120	2.0
159.11703	3.5
161.09648	1.0
161.13245	4.9
163.11240	1.5
163.14857	5.3
167.10715	0.9
171.11697	3.2
173.13293	2.1
175.11165	1.5
175.14841	2.3
181.12175	1.5
185.13269	2.8
189.12758	0.8
195.13849	1.2
199.14859	1.0
203.14386	0.8
207.13799	2.0
213.16446	1.7
217.19547	0.7
221.15396	2.5
231.17424	0.9
231.20976	0.7
235.16904	4.1
241.19495	3.2
259.20624	4.6
277.21634	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.2
55.05506	1.5
56.05031	3.0
56.96554	0.9
57.03433	1.4
57.07063	3.5
58.06602	4.8
59.04996	1.2
60.04526	1.2
67.05499	2.6
69.03428	1.2
69.07079	6.5
69.65398	4.7
70.07391	1.7
71.04977	2.1
71.08617	2.6
72.08147	1.0
74.06078	3.8
79.05473	3.5
80.05801	0.9
81.03408	3.0
81.07037	2.8
83.04991	1.4
83.08651	0.9
86.06062	4.3
88.07106	1.2
88.07635	22.2
89.03889	1.1
91.05481	2.2
93.07016	1.4
95.04959	2.5
95.08570	1.0
97.02892	1.2
97.06532	22.8
98.06857	8.7
98.21491	1.7
100.07621	1.2
104.07099	2.5
105.03396	1.2
105.07028	1.6
107.08569	1.2
115.69702	0.8
117.03401	1.6
119.08601	1.3
121.10155	1.2
127.02379	1.0
131.08551	1.2
132.10234	6.6
133.10136	1.5
135.04425	1.4
136.04759	2.1
138.78401	0.8
145.02621	0.9
145.03574	1.1
146.03300	1.1
147.11703	1.1
149.02345	7.6
149.09598	1.5
153.03981	1.0
157.10123	1.4
159.04631	1.0
160.04764	1.5
161.02371	2.8
162.02736	3.4
162.11290	1.3
163.03897	8.4
164.04242	8.2
166.10739	2.8
168.05289	1.3
169.03459	2.4
171.05017	2.0
172.83249	0.7
173.02356	6.1
174.02722	6.6
175.11110	1.3
180.03545	1.0
186.06290	1.0
186.18536	38.1
187.04634	1.9
191.03453	2.0
192.03734	2.8
193.12297	3.9
197.02991	2.1
206.05009	0.9
211.13290	12.8
215.03868	3.6
215.07130	4.9
216.07399	12.9
221.02939	1.3
230.21155	10.2
233.05037	5.8
234.08456	1.7
237.06830	1.7
246.07413	4.4
246.57570	1.4
255.08008	1.4
257.58115	1.6
259.09750	6.4
260.10013	14.1
278.11032	2.2
278.23279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03957	1.3
55.01874	0.9
55.05516	8.8
57.07080	5.8
65.03939	2.8
67.05505	99.3
69.07062	9.5
70.81345	1.6
70.81692	0.7
71.04996	1.5
71.08645	1.5
79.05485	11.9
81.07056	100.0
83.04964	1.7
83.08633	5.9
85.06557	1.9
85.72286	0.6
91.01419	0.7
91.05478	2.7
93.07047	10.6
95.08607	88.3
97.06538	2.0
97.10188	2.6
102.64414	0.7
105.07027	2.7
107.08593	7.7
109.06486	1.6
109.10159	24.2
117.07035	1.1
119.08604	2.5
121.10151	5.6
123.08081	1.5
123.11703	17.7
125.09635	0.7
127.07527	1.0
130.56357	0.7
131.08575	6.6
133.10164	2.4
135.08084	1.1
135.11702	5.3
137.09668	1.1
137.13246	12.9
145.10126	3.1
147.11694	2.7
148.32814	0.8
149.02339	19.1
149.03487	1.1
149.09671	1.3
149.13280	3.4
151.14850	4.8
153.09084	1.0
159.11671	3.4
161.13345	1.8
163.11212	1.7
163.14839	2.0
164.14337	0.9
165.12758	1.0
165.16431	1.4
167.10718	1.7
173.13228	7.4
174.28046	0.7
177.12766	2.3
179.14267	0.8
181.12231	1.7
187.14816	3.2
191.14346	2.8
195.13799	4.2
205.15907	1.3
209.15318	4.7
223.16975	3.5
241.44284	0.8
243.21118	2.4
261.10977	0.7
261.22153	4.8
279.23190	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	277.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90622	0.8
62.87139	0.7
69.03416	0.7
69.94889	3.0
75.00854	0.7
82.99845	0.8
101.00892	5.0
119.01933	5.6
127.02402	0.9
131.01935	1.4
139.02362	1.0
143.01906	3.3
145.03377	0.9
147.01192	0.8
155.02011	1.0
157.03484	4.4
161.02994	2.7
175.04639	0.9
205.05605	1.6
223.06656	6.7
241.07808	1.1
277.03329	30.4
277.09085	100.0
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	Illudalic acid
Peak:m/z	Relative Intensity
53.03943	1.8
54.54750	1.2
55.05518	1.9
57.03428	3.5
65.03941	2.7
67.05508	40.4
69.03429	4.6
69.07071	6.7
79.05499	4.0
81.07048	1.8
83.30807	1.3
85.02894	2.5
91.05488	4.3
95.04971	100.0
95.08605	2.2
97.02888	2.5
97.06528	22.1
107.04968	1.7
107.08588	1.6
109.10167	1.7
115.03898	2.3
115.05470	3.7
119.08621	2.5
123.04459	7.0
128.06245	1.6
129.06999	1.6
131.08624	1.8
133.00478	1.4
133.06544	2.6
133.10193	2.0
135.04439	4.0
137.41621	1.5
141.06995	2.8
143.08575	4.5
145.02867	3.7
147.04425	2.0
149.02362	1.6
151.03882	1.6
157.10164	3.9
159.04401	2.6
160.05183	17.3
161.02336	6.3
161.05995	41.0
163.03914	20.2
163.07509	2.1
164.04675	2.3
165.05490	15.3
165.06779	2.4
167.08449	7.1
169.06375	2.8
171.08099	3.5
173.02368	8.1
173.05994	3.1
175.07463	2.2
176.04637	1.6
176.18993	1.3
184.05106	1.5
185.05908	3.0
185.09592	4.2
187.07570	3.8
189.05446	2.2
189.09137	41.0
195.08119	12.1
197.05945	1.7
199.07579	3.0
201.09187	2.1
203.10780	2.3
209.04482	6.6
213.09154	14.0
215.07045	34.4
217.08582	10.3
223.07576	2.2
231.10152	9.3
233.08142	14.3
241.08696	4.7
259.09680	83.5
277.10831	21.2
277.18289	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	277.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14381	1.0
53.03948	1.3
55.01875	3.0
55.05506	2.7
57.03431	2.4
67.05489	4.1
69.03438	1.2
69.07071	14.3
69.25309	7.9
69.25716	1.9
71.04974	1.1
75.36826	1.0
77.23331	1.0
79.05499	16.8
81.07049	1.4
89.03921	4.4
91.05439	1.8
93.07059	1.6
95.04893	1.1
95.08591	1.9
97.06535	100.0
103.05441	1.1
104.22143	1.0
105.06992	1.1
107.04951	2.3
117.03394	5.8
121.06513	1.1
131.04938	1.4
131.08582	1.7
133.02852	4.2
133.10149	1.1
134.03595	1.9
135.04428	9.4
145.02849	8.6
151.03844	1.3
157.06496	1.2
159.04443	5.3
161.02361	16.3
163.03908	60.5
173.00960	2.2
173.02357	30.0
177.05542	1.3
179.03452	1.5
185.05940	3.1
191.03404	35.4
197.05971	1.1
203.07021	1.4
215.07027	45.3
217.04959	1.8
233.08098	18.6
259.09674	86.9
277.08234	1.4
277.21567	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	277.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01870	0.4
55.05511	14.0
56.88243	0.5
56.96556	0.8
57.07065	2.2
65.03957	1.0
67.05506	0.9
69.07059	1.1
71.04955	0.5
71.56062	0.6
73.06641	0.4
79.05486	2.0
81.07047	1.2
84.59545	0.4
91.05449	0.5
93.07026	1.2
95.08611	1.0
97.06529	3.3
105.07008	0.5
107.08588	1.1
109.79702	0.4
119.08601	0.7
121.02883	3.7
121.03677	0.6
121.10167	0.5
131.04887	0.5
133.10139	0.4
135.04433	0.5
135.08160	0.4
135.11696	0.8
145.02849	0.6
149.02338	100.0
163.03928	2.7
167.03439	0.7
190.04932	0.6
191.03386	0.7
199.18495	0.4
203.07080	3.2
205.08551	2.3
213.07932	0.8
215.07025	1.2
215.92511	0.5
217.04994	1.0
223.09673	0.7
231.09161	1.0
235.16901	0.7
259.09647	2.9
277.08582	1.6
277.14420	5.4
277.17621	0.6
277.21487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03929	1.8
55.01871	2.5
55.05510	12.4
56.96554	1.4
57.03439	3.6
57.07057	2.1
65.03927	1.5
67.05502	22.1
69.03414	1.2
69.07066	11.8
69.53257	1.8
69.53684	1.7
70.06589	0.9
71.04968	2.4
73.06543	0.8
73.62515	0.5
77.03897	0.6
79.05491	21.0
81.03410	1.3
81.07056	25.7
83.04977	3.0
83.08615	5.3
85.00487	0.5
85.06517	1.5
88.07613	1.2
91.05477	36.8
93.07042	21.1
95.04978	3.9
95.08605	14.4
97.06503	2.2
97.10136	0.8
99.08043	0.6
103.05475	1.1
104.06232	0.6
105.07030	50.1
107.04955	5.2
107.08588	14.5
109.06521	6.3
109.10170	6.6
111.08066	2.2
115.05417	0.8
117.06239	0.7
117.07014	8.8
118.07838	0.7
119.08579	32.7
121.06504	2.6
121.10138	8.9
123.08049	6.1
123.11674	1.6
128.06195	0.7
129.07019	2.7
131.08563	12.6
132.09285	0.7
133.06480	1.4
133.10126	40.9
135.08052	6.1
135.11676	5.3
137.09631	3.0
141.06949	0.8
143.08557	3.2
145.10114	12.6
147.08044	1.6
147.11685	16.0
149.09593	5.4
149.13217	2.0
151.11179	2.2
155.08603	1.7
157.10149	3.6
159.08098	0.8
159.11671	9.1
161.09630	1.5
161.13258	5.3
163.11177	3.8
165.09122	0.8
165.12772	0.8
169.10110	1.1
171.11691	2.4
173.09676	0.7
173.13242	4.7
175.11182	2.1
175.14799	1.6
175.80014	0.5
177.12741	2.1
179.14311	0.6
181.41722	0.6
183.11688	1.9
185.13190	1.7
187.11209	1.7
187.14864	1.2
189.12627	1.0
191.14268	0.8
193.12280	0.8
197.13297	3.5
199.14824	1.0
201.12723	1.3
201.16347	1.8
203.14294	2.0
207.13745	0.9
211.14928	0.9
215.14304	1.0
215.18036	1.1
219.17470	1.3
229.19429	3.9
233.15404	0.7
234.12721	1.3
239.17979	5.2
243.13243	2.3
247.07565	0.9
247.20570	3.8
254.64139	1.0
257.19000	8.7
257.26636	0.8
273.78006	0.5
275.20053	100.0
275.27728	14.8
276.20471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2734
Annotation	Kaurane
Peak:m/z	Relative Intensity
51.61578	0.7
52.51925	0.7
53.03939	1.9
55.05515	21.4
56.96329	0.7
56.96570	7.4
57.07081	19.6
63.68664	0.6
67.05507	25.5
69.07071	37.7
70.72819	2.5
71.04997	0.8
71.08633	12.4
75.21070	0.7
77.03919	0.9
79.05498	21.5
81.07061	69.4
83.04975	0.8
83.08149	1.4
83.08625	23.2
85.10187	6.8
88.07600	1.1
91.05477	12.2
93.07049	75.1
95.04971	2.3
95.08611	68.2
95.89458	0.7
97.10179	12.7
97.99180	1.1
105.07034	10.3
105.81329	0.8
107.08600	89.6
109.06551	1.7
109.10161	43.4
111.11710	4.8
114.17879	0.7
117.06991	1.3
119.08595	4.2
121.10149	51.6
123.11717	19.6
125.13252	2.0
126.42052	0.7
129.07022	1.0
131.08585	1.8
133.10115	3.3
135.08069	0.9
135.11694	35.5
137.13295	5.3
145.10136	1.9
147.11670	2.7
149.13264	85.5
151.14807	4.7
159.11748	1.8
161.13268	2.5
162.93004	0.8
163.14825	35.5
165.16376	4.7
173.13327	1.2
177.16380	10.2
177.96861	0.8
179.17978	5.4
183.11679	0.9
184.50423	0.8
187.14763	0.7
191.17973	7.0
193.19534	2.9
205.19514	6.6
219.21077	8.7
226.11101	0.8
233.22612	1.5
234.12840	1.0
241.04068	0.8
252.66428	1.0
254.14212	1.7
254.64401	1.6
257.18936	1.1
263.14804	2.9
263.64948	1.2
272.15201	1.2
274.65643	1.4
275.20248	10.4
275.27380	100.0
290.75436	0.9
293.14526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69958	0.5
56.05031	0.6
56.94313	0.5
56.96568	0.6
57.07065	1.7
60.04530	5.5
66.68205	0.4
67.05509	5.0
68.99779	0.5
69.03417	0.5
69.07033	0.7
69.56426	1.6
69.56839	1.9
70.06596	1.2
72.93777	1.6
83.04939	0.6
84.08147	28.8
85.06544	38.7
86.09705	2.8
87.00843	2.7
94.06551	0.9
95.04963	1.5
102.09180	41.8
102.94811	0.6
103.87130	0.5
112.07608	13.1
118.34831	0.6
121.63435	0.5
126.05525	0.9
126.09169	2.5
130.08644	7.7
132.10190	1.4
132.95833	9.6
134.97427	0.5
144.10197	100.0
144.95796	1.8
145.06152	0.6
148.09676	7.7
150.96838	2.5
162.96889	1.4
167.97443	1.1
172.09654	5.2
174.96893	20.5
186.96896	1.8
190.10739	24.8
198.07652	4.3
215.99590	1.0
216.08725	1.0
216.98119	0.6
220.02678	0.6
234.09639	3.6
234.99023	1.1
240.08647	2.3
258.03049	1.8
258.09744	4.3
276.04077	1.2
276.10699	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.76633	0.4
52.26947	0.5
53.03944	1.1
54.36470	0.4
55.01876	2.3
55.05513	9.2
56.96561	0.5
57.03437	6.6
57.07072	0.5
57.47472	0.4
64.79292	0.5
65.03930	0.9
67.05509	11.9
69.03086	0.6
69.03435	9.0
69.07072	7.0
71.01341	0.5
71.04994	3.0
71.55705	0.8
71.56086	0.5
72.52232	0.5
73.02931	3.4
78.60298	0.6
79.05495	12.4
79.77371	0.4
81.03412	1.4
81.07060	13.1
83.04982	8.0
83.08637	3.9
85.02898	5.0
85.06550	2.4
87.04482	0.5
91.05486	24.0
93.07050	11.8
95.04962	4.9
95.08610	9.0
97.02888	1.1
97.06545	2.6
97.10156	1.1
99.04434	1.6
99.08085	1.8
101.06050	0.5
101.49346	0.5
103.05471	1.5
105.07037	37.1
107.04981	2.9
107.08607	10.3
109.02890	1.1
109.06528	2.7
109.10163	3.4
110.78956	0.5
111.04469	3.3
111.08080	1.8
113.06005	6.5
115.05402	0.6
117.05521	2.2
117.07012	7.6
119.04945	1.2
119.08587	24.8
121.06500	2.3
121.10150	6.1
123.08074	1.7
123.11692	0.8
125.05987	0.5
125.09622	1.0
127.03901	0.7
127.07551	0.6
128.06241	0.7
129.05476	2.1
129.07011	2.9
130.07770	0.5
131.08566	10.9
133.10133	20.8
135.08057	2.4
135.11708	3.1
141.07005	0.9
143.08528	2.7
145.10129	9.9
147.04436	2.1
147.06621	0.5
147.08041	1.4
147.10503	1.0
147.11687	17.4
149.09624	5.0
149.13235	1.1
151.11115	0.7
153.05463	0.7
153.08975	0.5
155.08540	1.0
157.05029	0.5
157.10077	3.0
159.04422	0.5
159.08025	0.5
159.11714	8.7
160.01520	0.7
161.06073	0.6
161.09639	1.3
161.13284	3.1
162.67619	0.5
163.11179	2.8
165.09184	0.9
165.12761	0.7
169.10149	1.7
171.11711	2.2
173.02391	0.6
173.13272	4.5
175.11162	0.8
175.14870	1.3
177.12759	1.3
179.10725	0.6
183.06519	0.8
183.11806	2.4
185.13263	6.5
187.03967	0.8
187.11192	1.1
187.14967	0.9
188.04617	1.2
189.05455	0.7
189.07021	1.7
189.12698	0.7
191.03397	0.6
191.07053	0.6
191.08568	1.9
191.14319	0.6
192.04065	0.8
193.12328	0.5
197.13281	1.6
199.14841	0.7
201.07396	0.7
201.12683	0.9
201.16425	1.4
203.14322	4.4
204.04166	0.7
205.12201	0.6
215.03438	0.7
215.14291	0.8
216.04276	1.0
219.06494	1.5
219.08252	0.7
219.13916	0.6
219.17484	2.5
229.16022	0.5
229.19548	3.8
233.15483	0.6
239.17981	3.3
247.05795	6.2
247.16962	0.5
247.20598	0.7
257.10199	1.0
257.19028	9.4
269.12369	0.9
275.05518	2.9
275.11588	2.7
275.20071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.60350	0.7
53.01182	0.8
55.01849	1.4
55.05509	11.8
56.96551	1.6
57.03415	2.1
57.07067	3.2
66.64077	0.8
67.05183	1.1
67.05507	16.4
69.03440	0.8
69.07068	7.1
70.06586	3.1
70.78526	2.2
71.05003	5.1
71.06905	0.9
71.08643	1.0
79.05489	13.4
81.06592	1.1
81.07056	18.2
83.04975	2.7
83.08614	5.9
85.06536	2.9
88.07617	4.5
91.05482	26.9
93.07044	14.5
95.04955	2.5
95.08599	11.0
97.06524	2.6
97.10185	2.1
99.08083	1.0
102.09152	1.2
103.05445	1.0
105.07030	46.1
106.08662	2.2
107.04921	2.5
107.08578	11.9
109.06523	4.7
109.10154	6.0
111.08075	4.8
115.05459	1.4
117.07014	8.6
119.04923	2.1
119.08585	31.4
121.06522	1.9
121.10139	8.7
123.08044	2.0
123.11694	2.8
125.09577	1.1
129.07010	3.3
131.08571	13.9
131.54773	0.8
131.93842	0.7
133.09120	1.5
133.10130	30.2
135.08049	7.3
135.11682	4.2
137.09650	1.7
141.06958	1.1
142.07782	1.6
143.08566	5.4
144.09337	1.4
145.10132	14.9
147.04413	7.0
147.08084	1.0
147.11690	20.1
149.09618	5.3
151.11212	1.9
155.08572	2.4
156.09271	1.5
157.10129	9.0
158.10939	1.8
159.11679	13.4
160.12419	0.9
161.09694	1.4
161.13289	4.3
163.11163	2.6
165.07108	1.7
169.10164	2.6
171.11671	5.1
173.13266	13.3
174.14049	1.3
175.11200	2.9
175.14861	2.0
177.12773	2.2
178.07829	1.1
179.08534	1.0
183.11696	4.5
185.13248	1.9
187.11211	2.1
187.14825	2.3
189.06976	8.3
190.07756	6.1
191.08566	11.1
191.14281	2.0
197.13278	3.1
199.14830	3.1
201.12718	2.9
201.16570	1.1
202.07742	1.0
203.82303	0.8
209.13397	0.8
213.16386	1.2
215.14241	1.3
215.17870	1.0
218.07315	0.8
219.08084	4.9
219.13867	1.1
224.17700	0.7
229.19493	1.6
233.15582	1.2
239.18031	5.3
243.13367	0.8
245.15181	0.8
247.07544	14.8
247.20531	1.8
257.19016	13.3
257.26700	3.3
275.07047	7.1
275.20065	100.0
275.27747	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01867	2.1
55.05497	5.5
57.07066	5.8
58.07405	2.2
67.05512	9.2
69.03403	3.2
69.07034	3.8
70.06585	7.5
71.04992	13.9
71.08634	3.0
71.25547	4.4
76.71726	2.0
79.05478	6.2
81.07027	6.9
83.04964	4.4
83.08594	4.1
85.06562	9.5
88.07640	10.2
89.07944	3.3
91.05492	12.2
93.07063	18.6
95.04958	3.5
95.08607	19.0
98.17683	1.8
99.08079	2.3
102.09156	2.4
102.54117	1.8
105.07033	20.9
106.08668	5.5
106.26086	1.7
107.08564	20.7
109.06514	13.1
109.10143	8.2
111.08092	12.7
117.07037	4.9
119.08584	23.7
121.10152	23.3
123.08048	2.0
123.11702	5.1
129.07018	5.1
130.07834	2.6
131.08580	23.1
133.10147	23.0
135.08049	25.6
135.11684	2.8
137.09619	13.6
142.07774	5.6
143.08574	10.7
144.09357	3.1
145.10130	24.0
147.11662	8.3
149.09602	3.8
155.08539	3.1
156.09320	4.9
157.10123	20.9
158.10966	9.8
159.11699	30.4
161.09653	3.5
163.11185	2.9
169.10123	4.7
170.10864	2.6
171.11697	11.6
173.09625	2.4
173.13266	56.0
174.14040	4.7
175.11244	8.8
175.14786	5.3
177.12770	8.4
183.11662	10.4
184.12453	3.1
185.13240	2.0
187.11130	3.4
187.14838	6.5
189.12703	2.3
191.14276	6.9
197.13269	7.6
199.14819	15.2
201.12802	10.0
213.16415	5.3
215.14378	2.1
215.17963	4.2
217.15884	2.3
219.13873	2.6
239.17958	7.8
257.19022	22.1
257.26657	6.8
275.20123	23.9
275.27759	100.0
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	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
51.69284	0.9
55.05508	4.1
57.07085	1.4
59.04995	1.0
67.05509	4.4
69.03427	1.5
69.07064	11.0
69.87953	2.2
69.88354	2.0
71.04972	2.5
79.05485	3.5
81.06622	1.1
81.07051	6.2
83.04957	2.0
83.08604	2.0
84.78767	0.7
85.06527	3.8
91.05485	6.1
93.07046	10.1
95.04943	1.7
95.08617	9.4
97.06526	2.3
98.20800	1.2
99.08089	1.4
105.07027	10.4
107.04986	1.0
107.08607	8.9
109.06515	3.7
109.10168	6.6
110.78684	0.8
111.08090	19.9
111.11709	1.2
112.86806	0.7
113.09644	4.1
114.26335	0.8
117.07001	2.9
119.08594	11.6
121.06523	2.0
121.10151	8.4
121.10963	1.2
122.07259	2.7
123.07200	1.5
123.08065	15.2
123.11684	2.4
125.05959	0.8
125.09695	0.8
129.06952	1.3
131.08566	10.1
133.06657	0.8
133.10138	6.5
135.08058	21.3
135.11678	3.6
137.09602	3.3
139.07542	1.1
139.11151	3.1
143.08557	3.1
143.93227	0.8
144.09366	1.4
145.10123	7.6
147.08043	1.1
147.11713	6.7
149.09616	3.7
149.13205	1.6
155.08522	1.6
156.09351	1.3
157.10126	6.1
159.11691	11.5
161.09641	3.4
163.11195	3.8
165.12758	3.7
169.10188	1.4
171.11703	18.0
173.13219	6.0
175.11237	1.9
175.14778	2.8
176.11977	5.1
177.12724	1.4
181.12238	16.4
183.11702	2.3
187.14894	1.2
189.12718	3.1
189.16417	1.0
191.14317	100.0
197.13231	2.1
199.14873	7.3
201.12639	1.0
205.12294	1.4
205.16032	0.9
211.14760	1.7
213.16438	2.2
215.14429	1.3
215.17978	4.9
217.15909	7.3
229.15733	0.9
231.17433	1.1
233.19040	1.1
239.17964	3.2
257.19016	12.2
275.16705	3.0
275.20068	64.1
275.27783	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	275.0373
Annotation	9-phenanthryl hydrogen sulfate
Peak:m/z	Relative Intensity
56.96560	1.7
57.03437	1.1
63.38059	1.4
69.56362	5.5
69.56773	3.1
70.06586	2.0
71.42747	1.2
72.08156	1.2
76.28367	1.1
80.68423	1.1
83.02098	1.1
84.08158	2.0
85.02933	1.4
86.09695	3.5
87.10054	1.7
91.05479	1.8
95.08585	1.1
98.97594	2.5
101.00922	1.3
109.02950	1.1
113.00021	2.0
113.07143	1.4
116.98621	1.3
119.01945	2.6
143.01918	1.3
143.03160	2.2
158.13701	1.6
164.30376	1.2
185.02946	1.5
203.04036	2.3
207.06470	1.4
215.01627	5.2
257.02679	78.7
275.03741	91.8
275.11011	100.0
275.57523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0915
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02382	0.3
53.03939	0.4
55.01860	0.2
56.96551	0.5
67.01868	0.3
67.05490	0.2
69.07057	0.3
69.91071	1.0
77.03930	0.2
79.05489	1.0
81.07038	0.3
85.02907	0.3
91.05486	0.5
93.07056	0.4
95.04971	0.7
97.06535	0.3
105.04485	0.2
105.07011	0.4
107.04955	100.0
107.31625	0.2
108.05299	0.2
109.02915	0.3
119.08604	0.6
121.06514	0.4
121.10144	0.4
123.04427	0.5
127.03918	1.0
131.08542	0.3
147.04454	0.3
149.05963	1.1
149.09601	0.2
151.03894	1.1
155.03395	0.2
161.09518	0.2
169.04968	11.2
176.04121	0.2
215.06993	0.2
243.73590	0.2
245.05824	0.2
254.06335	0.4
275.06494	0.3
275.09177	3.5
275.12054	0.4
275.20020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.6
61.02927	0.9
67.83780	0.4
69.03447	2.4
69.56915	1.6
70.98117	0.4
72.08139	0.4
73.02906	1.1
81.03424	0.5
82.99854	0.4
84.08120	0.3
85.02921	4.1
91.05502	0.7
97.02887	1.5
98.97572	0.8
99.04401	0.3
101.00894	4.7
103.00589	0.6
108.04462	0.4
109.02930	0.5
113.00879	0.7
113.07153	1.0
116.98624	0.4
118.31596	0.4
119.01932	5.3
125.07119	1.0
127.02425	1.3
127.03915	1.1
131.01927	0.8
133.03377	0.4
139.02438	0.3
143.01884	2.3
145.03458	3.1
145.04924	1.0
147.04414	0.7
155.01892	1.3
157.03467	1.5
158.03673	0.4
159.03185	0.4
159.05034	0.9
161.02951	1.6
163.04384	0.5
169.03458	3.8
171.05049	1.1
173.02980	1.0
175.04361	0.5
184.05843	1.8
184.55933	1.4
185.02785	0.8
185.05763	1.1
187.04506	4.1
189.02351	0.6
194.06979	0.3
197.03021	1.0
203.04031	0.5
205.03799	0.4
205.05659	1.0
215.03998	1.9
223.06624	1.8
224.06766	1.2
225.06480	0.7
229.05582	1.6
247.06660	0.9
257.02679	0.4
262.95593	0.3
265.07675	1.6
266.07874	2.1
267.07550	1.4
275.06134	6.3
275.11017	100.0
293.07166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.2
56.71369	1.5
57.07066	5.5
65.08042	1.7
67.05495	7.4
69.03451	1.6
69.07048	4.5
69.60721	3.8
69.61149	6.5
70.06582	7.2
71.04996	13.3
71.06908	2.3
72.09389	1.7
79.05480	6.4
81.07043	9.4
83.04979	5.5
83.08637	3.8
85.06519	7.4
88.07646	11.8
89.07966	2.6
91.05473	13.5
93.07043	17.9
95.04953	4.3
95.08606	16.7
97.06538	1.7
102.09184	2.5
105.04611	1.8
105.07030	19.0
106.08670	6.8
107.08579	15.0
108.62954	1.6
109.06508	14.9
109.10149	6.6
111.08061	13.3
115.05458	2.0
115.15379	1.7
117.07011	6.5
119.08594	25.1
119.14321	1.7
121.06544	1.9
121.10133	19.2
123.08053	3.3
123.11737	2.7
128.06317	1.6
129.06996	3.8
131.08557	20.9
133.10130	20.7
135.08066	22.0
135.11678	4.1
137.09599	8.9
139.11198	1.8
141.07043	2.0
142.06709	1.6
142.07784	5.3
143.08556	11.1
144.09348	4.4
145.10139	19.6
145.11198	2.8
147.11723	9.0
149.09607	2.4
156.09290	3.5
157.10126	21.5
158.10925	6.8
159.07880	1.9
159.11702	34.9
161.09673	2.2
163.11122	2.9
168.09297	1.9
169.10141	4.6
171.11714	11.7
173.13257	48.9
174.14021	5.8
175.11201	8.5
175.14825	6.3
177.12724	9.8
183.11690	8.6
184.12463	3.6
187.11223	3.4
187.14827	5.9
191.14340	6.0
192.15099	2.2
197.13290	6.2
199.14835	17.1
201.12708	8.7
209.13239	2.0
213.16302	5.1
215.14343	1.8
215.17928	6.3
217.15875	4.6
219.13658	2.7
220.17827	1.9
221.63617	1.8
239.17929	6.8
257.19052	21.2
257.26697	6.0
275.20102	22.6
275.27753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	5.5
56.96563	7.5
57.03438	7.7
58.99875	5.0
61.02935	7.0
69.03423	19.4
69.57962	29.2
69.58347	9.2
70.98133	10.0
79.75654	4.7
82.99832	10.3
85.02898	32.5
91.05501	6.2
97.02892	13.7
98.97563	8.4
101.00878	63.5
111.53033	4.5
113.00883	8.4
117.04010	5.3
119.01929	64.1
119.04941	5.5
121.02892	5.3
125.07111	13.2
127.02409	21.4
127.03930	15.7
128.98633	9.1
131.01932	11.1
133.03403	6.2
137.02975	6.0
139.02296	4.3
143.01884	21.2
145.03503	43.3
145.04645	6.0
145.04994	5.8
147.04443	8.0
148.54837	6.3
153.03992	7.0
155.01877	18.6
155.69772	4.9
157.03488	14.7
159.05040	18.8
161.02940	18.3
169.03459	62.9
171.01419	5.4
171.04996	10.4
172.97621	12.6
173.02934	17.6
175.04483	7.6
184.05745	9.1
184.55928	15.5
185.02971	31.5
185.05731	13.5
187.04532	65.5
189.02516	8.6
190.98578	8.2
194.07249	9.8
197.02966	12.3
203.04047	17.1
205.05589	7.5
211.04576	4.6
213.02449	11.2
215.03998	16.1
218.98190	5.6
223.06606	11.1
224.06822	10.7
229.05586	17.7
231.03613	10.6
232.99507	9.2
247.06602	21.9
251.00528	6.4
265.07791	13.8
266.07864	18.1
267.07480	10.7
275.01642	19.1
275.06210	96.0
275.10931	100.0
293.03659	6.5
293.07156	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	273.2578
Annotation	beta-Springene
Peak:m/z	Relative Intensity
55.05501	11.3
57.07061	7.6
67.05501	23.8
69.07077	36.8
71.55258	3.9
72.24684	3.5
72.50314	3.2
79.05494	10.3
81.06596	5.0
81.07063	81.4
83.08620	12.4
89.61436	3.5
91.05472	12.3
91.78234	3.0
93.07052	37.8
95.08615	70.2
97.10140	7.5
105.07039	32.6
107.08607	57.4
109.10168	54.2
111.11678	5.7
119.08581	25.5
121.10149	47.8
123.11724	47.5
128.88777	3.2
133.10120	12.8
135.11736	33.7
137.13237	6.1
147.11754	16.5
149.13275	56.3
151.14821	5.2
161.13281	33.4
163.14861	33.4
175.14856	15.7
177.16360	13.3
189.16406	18.5
191.17918	11.9
203.17987	15.7
217.19510	32.2
265.86191	3.3
273.16360	5.2
273.18921	4.8
273.23196	4.7
273.25784	100.0
279.57303	3.8
285.33264	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	273.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
53.62717	1.8
55.05513	7.4
56.96564	2.6
57.03442	3.3
57.86012	1.8
67.05511	14.9
69.03417	8.0
69.07070	13.0
71.04996	20.9
71.21622	2.7
71.21966	2.3
73.02894	2.7
73.06571	2.1
78.54337	2.0
79.05491	11.3
81.07061	26.1
83.04967	8.4
83.08607	4.4
85.02909	4.4
87.04475	1.8
87.65993	1.7
91.05479	15.1
93.06485	3.2
93.07048	45.6
95.04961	9.4
95.08620	18.9
97.02895	4.9
97.06521	6.6
97.10150	1.9
97.22855	2.0
98.97585	5.4
99.08089	3.2
101.06078	2.1
105.07037	35.1
107.08602	27.6
109.02878	2.1
109.06557	2.4
109.10165	28.6
111.04440	3.9
111.08066	4.5
115.03936	2.4
116.98659	1.9
117.07007	3.9
119.08591	23.0
121.02847	2.4
121.06448	2.4
121.10149	100.0
123.08068	2.7
123.11685	6.9
125.09631	15.8
127.11191	8.3
128.98589	2.1
131.08571	6.9
133.10139	80.8
135.11700	12.0
139.11182	3.3
143.08588	2.2
143.10683	8.3
145.10130	15.0
147.04352	3.9
147.11716	14.5
149.05954	2.8
149.09576	3.0
149.13278	9.7
151.11185	23.9
153.01869	2.3
153.05403	1.7
153.06966	4.8
153.12729	5.3
158.99648	2.1
159.11707	20.2
161.13283	4.7
170.99661	2.6
173.13214	3.0
177.16354	2.8
181.06419	2.3
189.16380	38.7
191.17990	2.5
201.16354	15.2
207.17387	10.7
215.11810	2.4
219.01672	2.7
219.17461	26.9
219.19400	2.7
225.18282	2.2
227.06909	2.5
237.18512	18.0
241.09840	2.8
242.10432	8.6
243.11322	8.2
245.13033	2.0
253.07959	4.9
255.19577	4.3
262.08279	2.2
273.07654	8.9
273.12396	15.2
273.18591	4.1
273.23117	1.9
291.03918	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03936	1.4
55.05515	4.4
57.03424	1.4
57.07073	2.4
59.04994	1.7
67.05512	6.1
69.03425	2.1
69.07075	4.4
70.98894	1.4
71.05000	4.4
72.63309	0.9
79.05502	4.8
81.07069	8.6
83.04972	4.9
83.08613	2.4
85.06550	4.8
91.05476	7.6
93.07047	8.6
95.04976	23.1
95.08601	5.0
97.06509	2.3
99.04422	1.0
99.08086	1.8
105.07029	14.7
107.08591	12.1
109.05798	1.9
109.06524	26.3
109.10153	7.2
111.04470	1.5
111.08099	5.1
113.05988	1.2
115.05440	1.1
116.61555	0.9
117.07043	5.2
119.08591	23.5
121.06502	1.1
121.10143	6.0
121.89809	0.9
122.07224	0.9
123.08080	18.4
123.11692	1.9
125.09646	1.5
128.06229	2.3
129.07028	5.0
130.07797	3.3
131.08575	15.1
133.06544	1.2
133.10147	9.2
135.08044	6.4
135.11749	2.7
137.09605	10.8
141.06958	1.2
142.07791	4.7
143.08575	10.3
145.10126	35.9
147.08063	5.0
147.11693	15.8
149.09613	3.0
151.07550	1.9
151.11180	3.6
153.01724	1.1
153.06973	0.9
155.08545	4.1
156.09358	8.4
157.10130	20.8
158.10915	4.9
159.08057	4.2
159.11696	13.9
161.09612	5.4
161.13298	2.7
163.11198	2.8
165.06932	1.4
165.09146	1.1
167.08575	2.0
169.10120	4.9
170.10921	3.4
171.11702	21.3
172.12479	1.9
173.09668	7.0
173.13274	19.3
174.10445	2.0
175.11195	8.7
177.12733	3.1
181.10104	3.2
182.10922	3.9
183.11725	3.3
185.09618	1.4
185.13260	9.3
186.10309	1.4
187.11194	16.6
187.14827	4.6
189.12750	16.0
189.16402	1.2
191.14203	1.3
193.10095	1.8
195.11691	2.3
196.12489	1.6
197.13278	13.3
198.14035	1.4
199.11177	8.2
200.11969	1.9
201.12688	2.6
203.14279	4.4
207.11716	1.5
211.14807	4.3
212.15619	2.9
213.12836	4.5
213.16376	12.6
214.13620	1.2
215.14323	39.0
217.12254	6.1
222.14029	2.6
225.12680	2.2
227.18025	3.6
229.15918	3.6
231.13788	2.7
231.17439	14.0
237.16455	3.7
240.15102	2.2
243.13875	2.1
245.18881	1.1
255.17462	32.5
273.18509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04671	0.6
55.01883	0.5
55.05513	0.6
64.33750	0.5
65.80774	0.4
67.01871	2.1
67.05498	0.8
68.99799	2.1
69.03429	2.3
69.07066	0.7
70.06618	0.5
71.55447	0.4
71.55846	0.7
73.02924	0.6
79.05508	1.4
81.03392	0.6
81.07053	1.6
83.04987	0.7
85.02907	0.7
91.05484	5.6
93.07040	2.2
95.04977	2.5
95.05478	0.5
95.08595	0.6
97.02891	1.3
98.97596	2.0
105.07051	0.9
107.04955	2.0
107.08602	1.5
109.10175	0.7
111.00786	0.6
119.04944	16.8
119.08614	1.0
121.06535	0.7
121.10146	0.9
123.04433	3.8
123.11730	0.5
125.09647	1.0
133.10101	1.0
145.10153	0.5
147.04419	45.9
149.05995	0.9
151.03969	0.8
151.11261	0.7
153.01834	100.0
171.02997	3.7
179.03363	1.0
181.06506	0.9
185.03966	0.7
189.05492	1.1
206.59874	0.7
211.63702	0.5
241.08574	0.6
249.02693	0.5
255.06464	0.7
273.07574	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03938	1.0
55.01879	2.1
55.05516	6.8
56.96567	0.6
57.03435	1.0
57.07067	0.6
65.03925	0.9
67.05505	8.9
69.03432	0.8
69.07072	4.3
71.04971	1.3
71.39941	0.7
79.05502	7.4
79.72356	0.4
81.03407	0.6
81.07053	7.5
83.04972	1.0
83.08608	1.9
85.06549	0.5
91.05483	16.0
93.07048	6.5
95.04958	1.7
95.08605	5.5
95.12356	0.5
97.06523	0.9
97.10167	1.8
103.05480	0.6
105.03381	0.6
105.07037	13.2
107.04951	2.1
107.08604	4.6
109.06516	1.3
109.10153	3.5
111.04443	0.6
111.08111	1.0
113.03852	0.5
115.05462	1.6
116.06233	0.8
117.07025	10.3
119.04930	1.0
119.08585	13.0
120.29439	0.4
121.06490	2.4
121.10126	1.8
123.08066	1.4
125.09594	0.8
128.06192	2.2
129.06999	6.4
130.07799	2.6
131.04959	0.4
131.08569	28.3
132.05621	0.4
133.06485	2.9
133.10135	4.2
135.08043	2.7
135.11691	0.8
137.09544	0.6
141.06976	0.8
142.07788	1.5
143.08562	7.9
144.05705	0.5
144.09366	0.8
145.06523	1.2
145.10126	20.2
147.08044	10.4
147.11681	1.7
149.09651	2.2
151.11140	0.7
155.08563	1.3
157.10104	6.4
159.08060	4.3
159.11691	5.8
161.09625	6.5
163.11217	1.4
167.08624	0.6
167.43361	0.4
169.10127	2.0
171.08043	1.3
171.11697	4.1
173.09648	1.9
173.11838	0.5
173.13280	1.2
175.11195	4.7
175.14778	0.4
177.09119	1.1
177.12872	0.6
181.10158	1.4
183.11658	0.4
185.09599	2.0
185.13268	1.5
186.92970	0.5
187.11177	0.9
189.12701	1.3
195.11694	1.6
199.11143	2.4
203.10623	0.7
205.12210	0.7
205.32474	0.4
209.13293	0.8
211.14893	0.7
213.12730	1.1
213.16426	1.2
217.12164	0.6
219.32544	0.5
227.17935	3.6
231.13814	0.5
231.17461	1.2
237.16359	3.1
245.19002	2.7
255.17459	9.3
273.18503	100.0
273.30020	1.0
274.18817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19530	21.2
59.15086	16.8
69.03444	32.9
69.62725	34.2
69.63139	73.1
70.06573	23.3
73.02912	26.5
73.91523	20.6
85.02908	81.0
91.05471	20.3
97.02895	30.1
98.21422	26.9
101.00901	33.6
119.01941	48.6
119.04967	18.3
127.03930	52.2
131.01852	21.7
143.01939	100.0
145.04942	23.3
147.04372	28.4
155.01973	32.4
161.02989	64.7
173.02982	53.9
183.05022	43.3
189.05534	30.0
192.05548	32.6
203.04047	64.7
263.06125	40.5
269.92474	17.6
273.03845	94.4
273.09262	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04688	0.3
51.45442	0.3
57.03670	0.3
57.79254	0.3
61.81381	0.2
65.03917	0.6
67.01868	2.6
68.99783	1.8
69.03441	1.7
69.07065	0.6
70.79571	0.5
70.79882	0.4
77.39942	0.3
79.01865	0.3
81.03406	0.5
81.07056	0.6
83.01328	0.5
83.08633	0.3
88.00320	0.3
91.04910	0.4
91.05483	6.5
93.07047	0.5
95.04966	1.7
97.02906	0.8
105.07065	0.5
107.04962	2.4
107.08583	0.5
111.00836	0.3
119.04946	17.1
121.02828	0.4
121.06489	0.5
121.10175	0.5
123.04424	3.7
147.04413	43.9
151.03876	0.7
153.01831	100.0
157.10109	0.4
171.02907	1.8
179.03334	0.6
189.05464	1.1
227.17937	0.3
231.06612	0.5
255.06508	0.6
255.17549	0.5
264.76410	0.3
273.07571	74.9
273.18515	0.8
273.25784	0.5
274.07895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04674	0.5
52.43971	0.4
55.01873	0.5
55.05517	0.6
57.03428	0.7
57.73798	0.4
65.03955	0.6
67.01863	1.9
67.05499	1.2
68.99794	1.6
69.03430	2.3
69.07067	1.1
70.89106	0.6
70.89429	0.6
71.04961	0.6
73.02937	0.8
79.05480	1.1
81.07069	2.0
83.04995	1.3
84.96053	0.4
85.02911	0.6
87.04480	0.5
91.05482	7.2
93.07043	2.0
95.04977	2.5
95.08633	0.6
96.45464	0.5
97.02876	1.2
98.97595	2.3
105.07012	1.4
107.04949	1.8
107.08603	2.0
109.10147	0.8
111.00803	0.7
111.04469	0.6
111.71450	0.4
111.93458	0.4
113.51062	0.4
119.04942	17.1
119.05797	0.9
119.08553	0.7
121.02861	0.8
121.06477	1.0
121.10149	0.9
123.04437	4.2
125.09619	1.8
128.98599	0.5
131.08598	0.6
133.10114	1.2
135.11722	0.9
137.05896	0.4
143.08533	0.6
145.10086	0.5
147.04419	42.6
147.11732	0.6
149.06003	0.7
151.03944	0.8
153.01834	100.0
171.02968	3.2
171.04192	0.7
173.13226	0.6
179.03355	0.9
182.99734	0.5
185.03737	0.6
189.00822	0.6
189.05453	1.5
201.05434	0.7
213.09225	0.7
241.08560	0.7
245.04462	0.7
249.02736	0.5
255.06607	0.9
255.11363	0.4
273.07574	88.9
274.07660	0.5
291.03708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01866	5.8
55.05512	49.4
56.96563	9.0
57.03435	11.0
57.07056	7.1
59.04991	12.3
61.02923	5.2
65.03940	4.9
67.05511	32.1
69.03432	27.5
69.07058	15.0
70.06586	4.5
71.04996	21.3
71.55418	5.7
73.02918	6.2
76.45061	3.6
79.05489	30.2
81.03420	13.0
81.06590	5.0
81.07058	68.5
83.04987	67.1
83.08620	5.9
85.02898	10.2
85.06538	11.1
87.04466	9.0
91.05479	45.9
91.63029	4.2
93.07040	45.1
95.04974	100.0
95.08611	33.2
97.02897	7.3
97.06536	25.5
97.10171	4.7
98.09696	13.6
98.97601	25.4
99.04462	11.9
99.08093	13.0
105.07038	46.4
107.04955	8.0
107.08592	59.4
109.02882	5.9
109.06523	11.2
109.10160	35.2
110.97618	4.4
111.04429	6.3
111.08121	8.0
113.06004	4.1
115.03924	4.2
116.10763	5.4
116.98640	4.2
117.06997	8.7
119.04924	15.9
119.08572	33.4
121.06483	12.4
121.10129	32.7
123.04438	5.4
123.08065	11.0
123.11708	13.4
125.09605	8.6
127.03955	5.1
127.11205	16.9
128.98610	4.1
129.06996	7.3
131.07033	4.8
131.08572	24.4
132.59860	3.7
133.10138	53.9
135.11719	14.1
137.05963	4.0
137.09659	32.5
139.11221	6.8
141.06963	5.1
141.09105	4.1
143.08533	8.8
143.10669	6.6
144.08086	55.4
145.02861	4.7
145.10118	17.9
147.04408	27.1
147.08043	7.0
147.11714	18.9
149.00546	7.6
149.09616	17.8
149.13239	19.2
151.11192	17.6
153.07024	15.1
153.12808	4.6
155.08595	7.2
155.10706	4.0
157.06575	4.3
157.10173	10.8
159.11705	14.9
161.09616	10.3
161.13245	5.8
163.11247	4.7
163.14777	4.1
165.07034	29.2
167.01639	41.7
167.10637	4.3
168.57803	3.7
169.06429	3.8
175.11234	5.6
175.14844	4.1
177.05479	7.8
177.12762	5.1
179.03470	5.8
179.10674	5.2
181.06509	9.0
182.07260	4.9
183.08046	18.1
186.59355	3.4
187.14990	4.8
189.05571	4.5
189.16447	5.7
193.12137	3.7
195.13789	24.3
196.05319	4.6
198.14897	23.4
199.08723	28.6
199.14854	8.0
205.15950	8.9
210.06723	4.9
211.07626	22.6
212.01401	62.6
217.15952	21.9
221.06100	4.1
223.16978	21.7
225.10277	12.8
226.14369	41.9
227.11836	24.6
235.13307	5.5
235.16925	42.2
235.20587	4.4
243.10019	4.2
251.08688	4.6
253.14389	5.0
253.18010	8.2
271.02744	12.2
271.06110	13.7
271.09787	67.9
271.13831	3.6
271.16928	4.5
291.81003	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	271.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01875	10.0
55.05513	11.9
56.96562	7.9
57.02121	1.0
57.03442	24.9
57.07065	2.4
58.87536	0.9
60.73001	1.0
65.03934	2.4
67.05506	55.7
69.03410	4.2
69.07067	19.1
71.05000	8.6
73.02932	1.2
73.06561	1.1
79.05073	1.4
79.05492	19.0
81.03397	3.7
81.07058	66.9
83.04966	9.1
83.08602	4.5
84.96017	2.8
85.02900	2.5
85.06557	8.3
85.43530	0.9
87.04453	1.4
91.05482	43.7
92.28062	1.0
93.06499	1.6
93.07047	23.7
95.04996	7.2
95.08604	11.3
97.06512	3.6
98.97594	10.2
99.04428	4.0
101.06005	2.2
103.05448	4.1
105.03389	1.2
105.07034	42.4
107.04972	1.8
107.07885	1.8
107.08598	40.7
109.06515	8.9
109.10162	79.0
110.97565	1.4
111.08066	1.6
112.99133	2.1
113.05981	3.4
113.47067	1.0
115.07533	1.5
116.98628	3.4
119.04927	1.3
119.08548	4.3
121.06483	3.7
121.10115	3.8
123.04448	1.2
123.08041	2.0
123.11697	16.1
125.09612	1.3
127.07530	4.7
131.00140	3.6
131.04898	6.3
131.08554	3.9
133.06512	1.6
133.10135	100.0
135.08015	1.3
135.11685	2.6
137.05959	1.8
137.09625	1.3
137.13255	1.1
143.00139	1.7
143.08527	2.0
145.10089	2.3
147.11684	2.7
149.01230	2.5
149.13226	1.7
151.11188	70.9
153.06973	1.3
158.99583	2.3
159.11694	2.3
161.05948	1.5
161.09557	2.6
161.13242	1.9
165.06961	3.3
167.03407	12.1
167.07091	1.4
169.12230	12.8
171.11734	1.7
173.01215	1.5
173.13281	1.5
177.00771	1.5
179.10693	1.8
183.06607	1.5
185.01317	1.0
186.99075	1.3
189.04082	1.3
191.14310	1.3
193.06528	1.5
197.11682	2.1
211.07574	1.9
214.04929	3.0
215.12773	6.2
217.19518	1.5
223.05386	1.7
228.12791	1.0
231.01628	1.0
238.06693	1.3
238.56912	5.5
239.07057	2.1
247.07242	1.6
247.57422	6.9
248.07599	1.3
249.08858	1.6
250.07883	2.1
253.14374	8.8
267.17453	1.0
271.05798	2.4
271.09799	20.4
271.15384	88.6
271.24161	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	271.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01873	11.6
55.05514	11.7
56.96571	2.8
57.03443	25.9
57.07053	2.8
63.94189	1.1
64.32857	1.0
65.03963	1.2
67.05507	59.3
69.03420	5.4
69.06728	1.4
69.07070	15.8
69.39474	4.4
69.39903	4.7
71.05001	8.0
71.08610	1.3
79.05497	17.2
79.29018	1.2
81.03417	4.8
81.07063	58.6
83.04984	11.3
83.08612	3.8
85.02896	2.3
85.06546	9.4
89.48730	1.1
91.05482	45.8
93.07051	23.7
95.04980	5.7
95.08612	10.9
97.02890	2.1
97.06527	6.3
97.10163	1.4
98.21519	2.3
98.97573	4.7
99.04451	4.3
99.08057	1.4
105.07036	43.5
107.04958	2.1
107.07879	2.0
107.08598	37.9
108.60315	1.5
109.02873	1.5
109.06524	9.2
109.10161	81.2
111.08057	1.3
113.06023	2.9
115.07542	1.5
116.98591	1.7
117.07033	1.7
119.08610	7.1
121.10164	4.0
123.08031	2.6
123.11710	14.0
127.07549	4.6
129.05490	1.5
129.06941	1.2
131.08562	3.7
133.10138	100.0
135.11604	2.4
137.09642	1.8
143.08588	1.7
143.13345	1.3
145.10097	2.2
147.11700	1.6
151.11189	70.8
153.06943	1.4
158.99722	2.1
159.11713	1.8
161.09598	2.9
161.13231	1.7
165.06969	3.4
169.12236	18.3
175.14857	1.5
177.00708	1.7
179.08604	1.5
179.10672	3.1
181.06451	3.9
182.07092	1.4
183.08058	2.6
195.08070	1.6
196.08826	1.7
197.11641	1.4
207.07957	2.4
211.07553	4.7
215.12862	6.2
215.18126	1.4
217.19548	1.2
227.11697	1.3
239.03383	4.8
253.14346	9.5
271.06073	5.1
271.09720	15.5
271.15405	99.5
271.24142	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	271.1077
Annotation	Limazepine D
Peak:m/z	Relative Intensity
52.90584	0.8
55.01876	1.9
55.05505	3.3
56.96563	1.9
57.03435	4.5
57.07058	1.7
62.49318	0.8
67.05507	11.2
69.03423	1.7
69.07066	5.0
69.96201	0.8
70.24303	3.0
71.05007	1.1
73.02910	1.0
79.05490	4.1
81.03394	1.3
81.07053	11.8
81.49110	0.8
82.02950	4.9
83.04991	2.6
83.08611	2.5
84.04524	1.0
85.02934	0.8
85.06554	1.7
91.05482	8.8
93.07051	7.0
94.34402	1.0
95.04973	1.8
95.08607	6.0
97.06537	2.6
97.10194	1.1
98.97569	4.4
105.07029	9.6
106.06583	2.0
107.05018	1.0
107.08580	7.7
109.06493	1.1
109.10152	14.2
116.98603	1.1
117.06998	1.3
118.06528	6.6
119.04936	1.1
119.08578	5.7
121.10157	2.9
123.08123	1.3
123.11707	4.1
128.06290	1.0
129.07019	2.1
130.06526	9.4
131.08582	1.9
133.10127	17.5
135.11694	2.7
137.06024	0.9
137.09607	1.4
143.08562	1.1
144.08072	18.0
145.10175	2.8
147.11722	2.9
149.13281	1.5
151.11185	9.8
153.07053	1.4
154.06488	1.4
155.04935	1.1
155.08546	1.8
156.08156	1.8
157.28906	0.9
158.99724	1.1
159.11745	3.6
161.09628	1.4
161.13313	2.5
163.14861	1.1
165.07011	3.8
167.07362	2.1
168.08109	5.2
169.10081	1.2
169.12291	2.1
171.09244	1.9
173.13350	1.8
175.14915	1.3
177.00716	1.0
182.09686	3.6
183.08101	2.1
185.10834	3.1
187.14784	1.0
199.08656	65.8
201.16441	1.4
209.55977	1.3
210.09218	2.9
211.07597	3.3
215.12881	1.4
215.17999	1.3
225.10298	4.3
225.16498	1.2
227.11787	100.0
239.07033	1.4
267.03265	1.0
271.06033	5.9
271.10815	77.4
271.15057	11.7
271.20511	1.4
271.20984	1.6
271.24194	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	270.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68047	1.8
52.59985	1.8
54.48648	1.7
57.03427	2.4
59.04998	12.5
65.52370	1.9
69.63407	10.7
70.45728	1.9
73.06567	21.6
75.04478	7.7
85.02901	3.8
87.04469	16.9
89.06030	4.0
91.07639	2.4
103.03960	8.8
108.00173	2.0
108.07986	2.2
119.03368	2.6
129.01871	2.6
131.03375	10.1
133.05006	2.1
161.04486	37.1
217.03438	100.0
224.12840	3.3
235.04521	25.1
270.08322	5.5
270.13443	3.1
271.70355	2.2
283.74734	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03942	4.2
55.01870	3.0
55.05513	19.1
57.03438	40.4
57.07064	6.1
58.10504	1.7
65.90450	1.6
67.05508	82.6
69.07069	32.1
69.25293	17.4
71.04984	5.6
79.05071	3.4
79.05497	44.8
81.03420	2.7
81.07060	100.0
83.04993	12.2
83.08627	23.7
85.06544	7.1
91.05492	19.7
93.07049	77.7
95.04962	6.4
95.08607	27.5
95.87753	1.8
97.06523	16.1
97.10188	2.1
99.08089	5.4
105.07024	8.2
107.08602	40.8
109.06496	2.3
109.10136	4.1
111.08091	11.7
117.07000	10.7
119.08562	2.8
121.06549	1.9
121.10151	26.1
131.08586	11.8
133.10129	10.8
135.08057	2.4
135.11691	11.4
139.11211	4.6
147.11761	2.7
149.13266	64.0
159.11713	27.3
166.58284	2.0
177.12733	13.8
195.13803	21.0
202.92426	1.7
237.44464	1.7
269.17502	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01862	3.7
55.05273	1.5
55.05516	21.6
57.03442	36.3
57.07064	4.2
64.00546	1.1
64.28558	1.0
65.03937	2.3
67.05508	75.1
69.03410	2.1
69.07073	35.4
70.98981	2.8
71.05002	7.2
73.02906	1.6
79.05497	52.7
81.03432	2.6
81.07061	100.0
83.04987	12.7
83.08629	18.8
85.02907	1.5
85.06548	6.5
91.04921	1.6
91.05485	18.8
93.07050	76.4
95.04985	7.2
95.08611	28.3
97.06536	15.9
97.10158	2.5
99.08118	6.1
105.07041	8.9
107.08597	40.0
109.06510	4.1
109.10133	3.8
111.04447	1.7
111.08085	11.1
111.11707	1.3
117.07029	11.7
119.08566	3.3
119.61829	1.2
121.06532	1.6
121.10152	24.7
123.08073	1.5
123.11700	3.5
124.15916	1.2
125.09631	1.9
131.08595	12.3
133.10110	8.5
135.08041	2.8
135.11687	11.4
139.11121	3.2
147.11694	2.8
149.13271	64.8
151.11110	1.4
159.10458	2.2
159.11696	24.2
173.13200	1.2
177.12747	14.1
195.13838	20.8
269.17484	78.4
269.22479	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	269.1747
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03931	4.7
55.01860	4.2
55.05515	23.6
57.03440	33.1
57.07059	4.1
65.03940	3.5
67.05507	72.1
69.06728	2.3
69.07071	28.3
70.80638	1.7
70.80956	2.2
71.04976	6.3
71.08613	1.6
79.05495	46.1
81.03407	2.0
81.07057	100.0
83.04971	8.3
83.08617	22.4
85.06506	7.1
90.75205	1.2
91.05486	25.1
93.07047	70.7
94.19801	1.6
95.04946	4.1
95.08003	1.6
95.08607	28.9
97.06548	16.4
97.10157	2.2
99.08095	3.6
105.07027	10.4
107.08592	37.5
108.91736	1.7
109.06456	3.1
109.10160	6.1
111.08100	10.4
117.07004	9.8
118.83189	1.3
119.08567	5.4
121.09321	2.5
121.10142	24.4
121.99257	1.4
123.11723	4.3
127.98392	1.5
131.08577	12.3
133.10141	11.8
135.08086	3.4
135.11667	12.1
139.11234	2.4
145.10139	1.9
147.11765	3.0
149.13264	50.7
151.11179	2.8
153.09070	2.0
159.11699	23.9
161.13206	2.5
167.14371	1.7
177.12726	15.9
195.13803	16.4
209.77721	1.6
213.14700	1.8
231.15218	1.8
251.12582	4.5
251.16817	1.4
269.08041	5.4
269.13574	17.3
269.17456	76.3
269.22540	5.4
273.25967	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03928	2.5
54.17101	0.7
55.01859	2.6
55.05241	0.9
55.05510	18.1
56.06386	0.7
56.78721	0.7
57.03440	35.8
57.07071	4.9
57.22574	0.9
65.03930	2.2
67.05505	72.1
69.07069	28.4
69.63577	3.8
71.01323	1.0
71.04992	7.7
73.02886	1.5
79.05493	41.4
81.03436	1.5
81.07056	100.0
83.04981	10.8
83.08623	18.1
85.06526	6.4
91.05475	16.7
93.07042	69.6
95.04980	4.9
95.08606	24.4
97.06523	15.5
97.10184	1.9
98.21492	1.4
99.04438	1.2
99.08077	3.7
104.42368	0.8
105.04514	1.0
105.07023	6.9
107.08595	35.1
107.52000	0.8
109.06506	2.3
109.10169	4.8
111.04486	1.0
111.08076	11.7
111.11731	1.5
113.05973	1.5
113.09604	0.9
115.05377	0.9
117.07007	9.1
119.08562	3.1
121.09340	1.5
121.10149	23.4
122.83936	0.9
123.11684	2.2
127.07558	0.8
129.68095	0.8
131.08565	11.1
133.10136	7.9
135.08049	2.0
135.11685	13.0
139.11166	3.1
144.58421	0.8
147.11662	2.6
149.13261	57.2
153.09052	1.2
159.11694	22.6
167.14288	2.0
177.12724	12.0
195.13821	17.2
213.14752	1.1
253.81956	0.8
269.17468	68.9
269.22525	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	269.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08825	1.4
53.03935	2.7
55.05500	1.9
56.96569	1.6
57.03426	1.9
67.05488	4.0
68.98568	1.5
69.03419	4.8
69.07076	1.8
70.24822	4.8
71.04978	1.6
75.04480	49.7
79.05486	5.7
81.07047	5.7
83.08599	1.8
85.02894	1.6
89.98296	1.6
91.05482	14.1
93.07031	5.1
95.04963	2.2
95.08619	2.1
97.02884	1.6
98.97565	5.4
99.04446	2.1
103.05464	2.9
105.07019	4.8
106.04156	1.7
107.08582	3.5
109.06505	3.7
109.10082	1.5
117.03354	3.1
117.07052	1.6
119.04916	3.4
119.08581	2.7
121.06502	14.2
121.10109	2.8
125.05949	1.4
131.08540	1.6
133.06465	2.4
133.10124	1.6
134.03615	5.9
135.04358	2.5
135.08125	2.0
135.11722	2.1
137.02330	2.1
137.09662	2.0
145.02847	4.8
147.04401	3.0
149.02356	3.7
149.05984	31.8
149.13206	2.2
158.99663	2.0
159.04413	2.3
161.06023	2.1
162.03113	5.6
163.03889	5.6
164.04617	3.2
167.03369	3.2
173.02373	2.6
177.05473	55.1
177.12735	1.4
179.07008	7.1
181.08522	2.6
182.72926	1.5
191.03363	4.6
191.07074	3.5
191.14345	2.7
192.04143	3.6
205.04959	25.1
207.06544	23.1
209.04466	6.3
209.08083	11.2
219.06581	7.6
233.15413	2.7
237.07573	100.0
249.06906	1.9
265.56723	1.4
269.08008	5.3
269.10699	2.3
269.13547	9.7
269.16617	2.5
269.22534	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01864	0.5
55.05498	0.3
56.96554	0.4
66.80275	0.3
67.05511	1.4
69.03423	0.5
69.07056	0.3
69.68584	1.1
70.06588	1.2
72.04523	1.5
79.05487	0.4
81.03407	0.7
81.07036	0.7
84.08115	0.4
85.02905	1.2
91.05473	1.5
93.05778	0.8
93.07043	0.5
95.04969	3.0
98.20747	0.3
98.97575	1.4
105.03436	0.4
106.06548	1.2
107.08602	0.3
107.48000	0.3
108.04480	0.7
110.03506	0.8
110.07169	0.4
112.03983	0.3
114.05514	0.3
116.98600	0.4
117.05711	0.4
118.06548	4.9
119.04971	0.8
120.04493	0.8
120.08109	2.7
121.81415	0.3
123.04430	1.8
124.03953	0.8
128.04474	0.3
130.06555	1.8
132.04433	1.6
133.05280	1.5
133.06345	0.3
134.06029	4.2
135.02995	0.9
136.06200	1.6
136.07553	0.8
137.08359	1.0
137.93492	0.3
138.05473	0.8
146.06015	10.7
147.04355	0.7
147.06761	1.0
148.03957	0.3
148.07574	0.8
149.04730	0.4
149.08368	0.6
150.05475	0.7
150.09134	2.0
151.06264	0.5
152.05699	21.1
152.07040	3.3
153.04117	1.7
158.99638	0.5
160.07558	0.5
162.05518	2.3
162.09132	3.5
163.06293	0.4
163.09938	0.8
164.05699	0.6
164.07072	11.8
169.07414	0.4
172.07622	0.3
174.05495	3.0
176.07022	1.2
177.07877	3.5
178.07048	0.5
178.08640	8.2
180.06590	0.8
180.10190	0.9
182.08153	0.7
188.07111	0.9
189.05443	0.5
190.07118	0.5
190.08646	5.1
191.09363	0.9
192.06544	3.3
194.08162	3.0
195.09030	0.6
198.41473	0.3
204.06464	0.3
205.07350	0.3
206.08131	2.5
208.09689	15.5
209.10399	1.3
218.08110	3.0
220.09804	0.6
222.11250	7.8
224.09174	5.3
232.09648	0.4
236.09178	7.2
238.10791	1.5
250.10759	8.1
250.13164	0.7
259.08447	0.7
268.11786	100.0
269.12082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1181
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
54.66995	0.3
55.01884	0.5
67.05498	1.0
68.05453	0.3
69.70884	0.9
69.71312	1.0
72.04508	1.1
91.05468	0.6
93.05799	0.7
95.04968	2.9
96.77029	0.3
98.20695	0.4
106.06567	1.0
110.31164	0.4
117.05729	0.4
118.06532	4.2
119.04947	0.5
120.08073	0.4
123.04457	2.0
123.12054	0.4
130.06552	1.9
132.04460	1.3
133.05231	1.2
134.06010	3.2
136.03923	0.3
137.08382	0.9
138.05487	0.8
144.08121	0.4
146.06015	9.2
147.04463	0.5
147.06825	1.0
148.07600	0.6
149.04799	0.4
150.09148	1.7
151.09909	0.4
152.05690	3.0
152.07068	2.2
156.78938	0.3
160.07620	0.5
162.05533	1.5
162.09114	2.1
163.06343	0.4
163.09921	0.5
164.07074	12.0
169.07399	0.6
174.05504	3.0
176.07080	1.1
177.07861	3.0
178.08632	7.1
180.06615	0.5
188.07094	0.9
189.05489	0.6
190.08649	5.0
191.09320	0.5
192.06557	3.1
194.08159	2.3
195.08940	0.7
206.08112	2.6
207.08847	0.6
208.09674	11.6
209.10399	1.3
218.08086	3.3
220.09843	0.5
222.11273	7.4
224.09160	5.3
231.75426	0.4
232.09567	0.5
236.09160	8.0
237.09933	0.6
238.10744	1.3
250.10747	5.7
250.12955	0.2
268.11804	100.0
269.12140	0.6
278.58905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01855	0.4
55.05485	0.1
56.96551	0.4
57.03422	0.6
61.02935	0.2
67.05507	0.2
69.03426	0.4
69.39178	0.3
69.39572	1.0
70.06577	0.4
71.01344	0.2
73.02929	0.2
77.67959	0.1
84.08146	0.2
85.02905	0.5
89.06046	0.1
91.05495	0.4
94.04041	0.3
97.02870	0.3
98.97580	1.2
107.04947	0.2
112.07635	0.2
115.03939	0.2
116.98625	0.5
119.03555	0.7
119.04940	0.5
120.08089	0.6
121.08421	0.8
122.07183	0.3
123.07436	0.3
124.03954	0.1
126.13840	0.1
131.00140	0.2
132.35277	0.1
134.99609	0.2
135.04395	0.3
136.06180	100.0
137.04594	0.3
137.06496	0.2
137.74319	0.1
145.02747	0.2
147.04422	0.5
149.01260	0.4
150.05577	0.2
151.05862	0.1
152.07156	0.2
156.03482	0.2
158.99628	0.4
163.03941	0.7
175.03911	0.2
186.04382	0.2
189.05473	0.6
191.02214	0.7
206.11311	0.3
207.06503	0.5
237.46991	0.1
245.04964	0.2
250.10735	0.5
251.04240	0.2
268.07706	0.3
268.10529	7.1
268.15219	0.4
283.86972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Curvularol
Peak:m/z	Relative Intensity
53.03955	11.2
55.01867	5.7
55.05515	32.6
56.96558	2.8
57.03441	52.0
57.07074	3.3
64.95210	2.1
65.03932	3.6
67.05511	81.5
69.03416	3.6
69.07076	27.8
69.38861	7.8
69.39285	9.4
71.04990	7.6
71.08622	2.3
79.05499	81.6
81.03422	75.6
81.06606	3.5
81.07061	71.3
83.04987	54.0
83.08624	18.3
85.06538	6.3
91.05485	91.6
93.06490	3.8
93.07045	50.7
95.04978	38.1
95.08618	31.6
97.06507	11.5
97.10170	5.8
99.08080	4.3
105.07038	63.5
107.04964	19.5
107.08599	12.1
109.06530	11.4
109.10123	8.0
111.08071	6.5
113.05958	2.4
115.05461	2.8
117.07044	6.1
119.08598	43.1
121.06448	3.0
121.10159	12.3
121.10842	2.2
123.08073	2.9
123.11687	3.9
127.07552	5.6
129.07037	25.0
131.08571	26.3
133.06494	2.7
133.10127	53.1
142.07782	3.2
145.10155	6.3
146.32782	2.3
147.08052	6.7
147.11708	33.9
149.09615	8.2
157.10136	31.9
163.11174	7.2
165.12732	5.6
175.11197	27.4
189.12799	2.8
189.30089	2.7
193.12267	26.3
207.30780	2.1
211.13239	3.1
241.90221	2.7
267.15921	100.0
267.21048	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	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03930	3.3
55.01859	2.2
55.05508	8.1
56.74504	0.8
56.96567	6.3
57.03161	1.4
57.03438	21.1
58.76102	0.7
58.85987	0.7
61.02145	0.7
62.66355	0.7
62.68655	0.8
67.05507	17.3
69.03420	3.3
69.07072	4.2
70.35020	3.0
71.04985	2.2
78.28905	0.8
79.05496	16.5
79.94595	0.7
81.03421	100.0
81.07058	18.4
83.04989	9.6
83.08621	15.9
85.06564	1.3
91.05483	22.9
93.07042	14.0
93.72294	0.7
95.04967	24.3
95.08601	6.9
97.02872	2.2
97.06528	1.8
97.10164	1.6
105.07037	17.3
107.04945	5.6
107.08566	3.8
109.06524	3.2
109.10153	1.7
111.04440	1.0
111.08083	8.1
115.05409	1.5
115.78630	0.9
117.07024	2.4
119.04900	1.3
119.08582	16.0
121.06519	2.2
121.10175	5.6
123.08066	2.8
123.11739	1.0
128.06194	1.3
129.07011	9.6
131.08588	9.4
133.06447	2.6
133.10132	7.9
137.05972	0.9
137.09669	1.8
139.00700	1.6
142.07784	3.1
143.08546	1.0
147.08008	3.0
147.11713	11.1
149.09601	4.6
151.00591	1.2
157.10121	9.1
165.12743	2.8
175.11191	12.0
183.49043	0.7
185.04878	2.8
193.12251	23.3
203.05956	1.9
211.13280	3.5
223.13210	1.1
232.72737	0.9
243.59834	0.8
249.08015	1.7
249.14815	1.7
267.06348	1.8
267.09100	18.4
267.15915	78.6
267.20721	2.3
285.10107	23.5
285.12433	0.5
285.93127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03958	3.3
53.04184	0.6
55.01866	2.0
55.05511	7.5
57.03439	20.4
62.76720	0.5
65.03931	1.0
67.05183	1.1
67.05511	13.8
69.03428	2.9
69.07063	3.2
70.92667	0.7
70.92992	1.0
71.04988	1.7
74.30303	0.6
74.91301	0.6
79.05495	16.0
81.03422	100.0
81.07057	19.2
81.07538	1.2
83.04992	6.8
83.08624	15.8
83.09118	1.1
85.06549	1.3
91.05482	22.7
93.07051	9.7
95.04974	23.4
95.08617	7.0
97.02908	2.6
97.06538	2.7
97.10183	2.1
102.51627	0.5
105.07037	17.6
105.07702	1.2
107.04961	6.3
107.08623	4.4
109.06536	3.9
109.10153	2.1
111.04473	1.5
111.08084	8.0
115.05479	1.5
117.07034	1.5
119.04928	0.7
119.08585	15.2
121.02869	4.2
121.06542	1.7
121.10138	4.9
123.08089	2.5
123.11713	1.9
125.09561	0.6
129.07011	8.2
131.08575	8.3
133.06505	2.0
133.10165	6.0
137.09645	1.5
142.07816	2.4
145.10126	1.5
147.08063	2.6
147.11699	12.6
149.09636	4.2
151.28859	0.7
157.10129	11.1
157.11342	0.9
159.07976	0.6
163.11220	0.8
165.12766	4.0
175.11169	11.3
193.12251	23.0
205.12183	1.2
211.13232	3.6
213.42104	0.7
222.46359	0.7
223.13164	0.8
249.14919	2.2
267.15924	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03940	5.0
55.01887	2.5
55.05524	10.4
57.03442	19.4
59.04992	4.1
61.02931	20.0
61.31183	1.9
67.05511	22.7
69.03440	31.6
69.07073	11.4
71.04988	3.2
71.39725	3.6
73.02894	4.7
79.05507	23.9
81.03424	44.1
81.07066	41.3
83.04966	11.4
83.08624	4.6
84.73206	1.7
85.02907	22.0
85.06552	2.9
87.04465	12.8
91.03972	15.2
91.04432	2.7
91.05483	31.9
93.07053	53.1
95.04990	19.8
95.08630	16.4
97.02905	25.1
97.06532	6.1
98.97587	3.5
99.04442	5.2
99.06169	1.9
102.90002	2.1
103.03935	2.9
105.03404	17.6
105.07037	54.3
107.04959	5.3
107.08605	35.1
109.02886	3.4
109.06525	8.3
109.10178	20.0
111.04420	8.6
111.08065	5.4
115.03951	11.6
117.07032	11.2
119.04948	2.8
119.08592	31.3
121.06503	9.0
121.10152	64.7
123.04433	4.0
123.08057	5.0
123.11704	7.6
125.06026	2.3
128.06201	3.4
129.07021	11.4
131.08566	14.8
133.04980	8.1
133.06509	6.1
133.10136	37.9
135.08040	6.3
135.11699	31.0
137.09599	3.6
142.07765	4.7
143.08585	12.4
144.09322	2.6
145.06531	1.8
145.10097	13.7
147.08041	7.7
147.11700	37.1
149.09630	5.4
149.13266	13.6
151.11171	4.6
156.09430	2.6
157.10139	16.3
159.06641	2.8
159.08089	5.4
159.11703	17.0
161.09641	6.7
161.13344	2.2
163.11147	5.2
165.06943	2.0
165.12791	6.9
167.08568	2.3
171.08064	2.5
171.11717	3.7
173.08179	3.2
173.13286	3.3
175.11203	22.2
177.12766	36.1
183.11717	3.3
185.13293	6.3
189.12703	3.7
193.12248	10.2
195.11700	2.7
201.12770	8.9
201.19696	1.9
203.14297	4.6
213.12723	5.6
218.57637	2.3
219.13800	9.6
231.13853	16.6
237.14899	2.1
246.09250	3.0
249.11269	4.4
249.14856	20.6
267.15939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03948	2.8
53.75059	0.6
55.01876	2.1
55.05513	6.4
56.96563	2.0
57.03436	22.5
57.07065	0.7
65.03947	0.9
67.05505	11.9
69.03422	3.0
69.07072	3.3
71.04987	1.9
79.05493	11.8
81.03416	100.0
81.07053	12.5
83.04984	5.4
83.08611	16.2
85.02913	0.9
85.06533	0.9
91.04902	1.0
91.05476	18.3
93.07044	8.4
95.04964	23.3
95.08601	4.4
97.02885	2.7
97.06522	1.7
97.10160	2.0
105.06345	0.4
105.07025	11.7
105.07688	1.0
107.04948	4.6
107.07981	0.6
107.08580	3.9
107.29088	0.6
109.06519	3.6
109.10134	2.0
111.04445	1.4
111.08083	6.5
115.05454	2.3
116.06215	0.6
117.07013	1.3
119.04939	0.6
119.07806	1.0
119.08584	11.2
121.06496	2.2
121.10139	3.7
122.47194	0.6
123.08076	1.5
123.11732	0.6
129.06987	8.7
129.32994	0.6
131.08560	7.6
133.06490	2.3
133.10120	3.7
137.09622	1.6
142.07774	2.0
145.10133	1.1
147.08038	2.7
147.11684	7.1
149.09619	3.4
157.10129	8.2
163.11142	0.7
165.12727	2.3
175.11166	9.6
185.13257	0.6
189.05453	1.1
193.12239	23.2
205.12149	0.8
211.13261	2.8
246.23750	0.6
249.14838	1.7
267.09280	5.7
267.15863	74.9
285.10071	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	267.1591
Annotation	(+)-5(6)-Dihydro-6-hydroxyterrecyclic acid A
Peak:m/z	Relative Intensity
51.13911	1.5
53.03925	3.9
53.58321	1.4
55.01852	2.8
55.05503	10.6
56.96564	1.8
57.03189	1.8
57.03434	19.1
57.07072	3.3
59.04984	3.7
61.02650	2.1
61.02928	23.4
65.30048	1.5
67.05187	1.8
67.05508	28.7
69.03093	2.7
69.03432	40.9
69.07087	8.9
69.91482	6.6
71.04966	4.4
73.02921	4.4
75.72990	1.4
77.03919	1.8
79.05490	27.2
81.03421	36.4
81.06589	2.3
81.07055	37.3
83.04963	12.9
83.08601	4.5
85.02903	26.2
85.06524	1.5
87.00846	1.8
87.04464	21.9
91.03943	11.6
91.05479	31.5
93.07048	62.0
94.15062	2.0
95.04982	20.9
95.08600	16.9
97.02897	34.0
97.06511	5.5
98.97566	4.0
99.04453	4.3
102.88398	1.7
103.05478	3.3
105.03407	12.9
105.07033	59.7
107.04953	5.5
107.08594	36.2
109.02836	3.5
109.06537	11.9
109.10159	26.7
111.04403	7.2
111.08068	4.3
115.03930	15.3
115.05457	5.5
116.06226	1.9
117.07004	14.4
119.04958	1.7
119.07796	2.6
119.08592	31.9
121.06499	8.3
121.10146	96.2
123.04417	4.6
123.08057	5.7
123.11696	7.9
128.06212	8.2
129.07008	16.1
129.20566	1.7
131.04922	2.0
131.08569	24.8
133.04984	8.7
133.06485	6.3
133.10130	46.9
135.08063	4.9
135.11682	30.1
137.06027	2.3
137.09604	9.2
141.06995	5.2
142.07802	7.3
143.08562	12.5
144.05682	4.7
144.09341	2.6
145.06496	5.7
145.10110	17.7
147.08026	5.5
147.10655	2.6
147.11702	30.3
149.09627	5.0
149.13257	10.3
151.07516	1.8
151.11160	3.1
155.08530	2.9
155.10652	3.0
157.06470	5.9
157.10118	12.8
157.31944	1.7
159.06657	3.8
159.08049	17.5
159.11694	20.0
161.05960	3.6
161.09586	7.9
163.07573	2.9
163.11163	5.4
165.06970	2.2
165.12695	3.5
170.07260	3.6
171.08047	4.2
171.11711	2.8
173.05956	2.1
173.08130	3.4
173.09546	3.9
173.13216	4.3
175.07646	2.5
175.11185	18.3
177.12747	41.7
183.11711	3.8
185.09607	2.4
185.13210	6.7
187.07506	9.2
189.09120	6.4
189.12659	2.5
193.12305	9.8
195.11749	2.1
201.12679	7.7
203.07053	2.0
203.14293	5.3
204.07748	5.8
209.40477	1.7
213.12663	7.5
215.65901	1.6
216.07648	2.7
219.10214	6.3
219.13808	13.1
221.11736	2.6
221.15364	2.4
231.10226	3.4
231.13834	19.0
237.10960	2.2
246.11273	2.1
249.11220	65.2
249.14851	17.6
267.15906	100.0
274.63123	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03946	3.0
55.01873	2.3
55.05512	7.2
57.03440	20.6
62.98289	0.8
65.03955	1.0
67.05508	9.2
69.03428	2.1
69.07072	2.3
70.01257	3.9
71.04998	1.2
79.05492	10.9
81.03424	100.0
81.07062	11.0
83.04987	4.0
83.08627	14.5
91.05486	14.1
91.06026	1.1
93.07053	7.6
95.04974	19.3
95.08601	3.7
97.02897	2.1
97.06567	0.7
97.10182	1.5
98.21426	1.0
105.07042	12.1
107.04980	4.7
107.08604	2.0
109.06509	4.0
109.10133	1.8
111.04455	2.0
111.08077	6.0
113.72344	0.7
115.05441	1.2
116.29470	0.7
117.07041	1.5
119.08597	9.0
121.06508	1.9
121.10140	5.4
123.08081	2.4
123.37950	0.7
123.40053	0.8
129.07030	7.0
131.08595	6.4
133.06531	2.5
133.10147	2.9
135.83502	0.7
137.09662	1.4
142.07808	2.2
145.10120	0.8
147.08055	2.2
147.11711	6.9
149.09685	4.0
157.10144	8.0
162.63390	0.7
165.12796	2.0
175.11188	9.5
193.12260	22.3
211.13329	3.1
216.59395	0.7
223.13565	0.7
237.14955	0.8
243.18460	0.7
249.15001	1.1
267.15930	71.6
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
53.84774	0.2
55.05512	0.5
59.04997	0.7
61.02936	1.3
69.31641	1.9
71.04996	2.0
77.60918	0.2
79.05495	0.8
81.03422	0.2
81.07056	3.0
87.08084	0.3
94.04060	1.4
97.28080	0.2
98.97650	0.2
109.02901	0.2
113.09650	0.2
119.03568	2.3
122.07051	0.2
136.06189	100.0
137.04588	0.9
150.07771	0.3
234.13496	19.0
266.16116	57.5
267.16528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.4
51.02373	0.5
52.61462	0.3
53.03951	4.5
55.01870	1.2
55.05510	2.4
55.11897	0.3
56.96566	0.8
57.03441	4.9
57.07073	0.3
61.02913	0.6
65.03940	0.5
67.05174	0.6
67.05508	5.4
69.03085	0.6
69.03431	7.3
69.07058	1.7
71.04991	1.3
71.55694	0.5
77.03941	1.3
79.05495	11.5
81.03419	24.0
81.07058	7.8
83.04984	3.3
83.08611	2.2
85.02905	10.4
85.06533	0.4
87.04472	0.5
91.05484	7.6
93.07043	3.7
95.04967	7.4
95.08608	1.9
97.02899	3.6
97.06538	1.0
98.97571	0.6
99.04457	1.2
100.11266	0.6
105.03394	100.0
105.04539	2.8
105.07021	5.5
106.03788	0.4
107.04956	1.0
107.08593	1.3
109.02877	5.2
109.06512	1.4
109.10157	1.0
111.08088	1.0
115.05477	0.5
117.07058	0.6
119.08580	4.1
121.06492	0.4
121.10150	1.6
123.04428	10.1
123.08064	0.9
123.11706	0.8
125.09645	0.4
127.03894	3.7
129.05585	0.3
129.06996	2.1
131.08588	2.1
133.06519	0.7
133.10144	3.3
135.04410	1.0
142.07771	0.5
145.04955	0.6
145.10136	0.7
147.11703	4.7
149.09637	0.7
157.10156	3.2
163.11194	0.5
165.12775	1.4
175.11176	2.6
184.20729	0.3
186.07341	0.4
193.12238	3.8
211.13171	0.5
249.07596	5.4
249.11256	1.0
267.06378	0.7
267.08917	2.1
267.15918	13.0
267.20908	0.7
285.10175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1245
Annotation	(-)-Aristeromycin
Peak:m/z	Relative Intensity
53.03989	1.2
55.05553	1.4
55.65905	0.6
56.96624	2.5
57.03495	1.9
57.07125	0.8
61.02988	1.9
67.05569	3.4
69.03434	5.8
69.07138	2.4
70.06644	1.4
71.05051	1.0
71.55458	0.8
73.02966	1.1
79.05540	1.3
81.03425	4.3
81.07119	2.7
83.05032	0.8
83.08656	1.2
84.04543	0.9
84.08219	0.8
85.02898	4.1
85.06605	1.6
86.09764	1.5
87.00829	10.6
91.05540	1.6
93.07092	0.8
94.04118	1.8
94.06618	0.9
95.05028	2.0
97.02895	6.7
98.97607	4.0
99.08180	1.0
105.01876	9.1
105.03400	9.6
105.07042	0.8
108.08194	1.2
109.02895	5.1
109.06583	1.9
110.97553	0.9
111.05599	0.9
116.98652	1.2
119.03558	4.1
119.04928	0.6
119.08601	0.8
120.05624	0.8
121.06548	0.9
122.06066	2.2
122.07155	1.9
122.09760	0.9
123.06806	1.5
123.07594	0.9
127.03938	3.1
127.07587	3.7
131.70972	0.6
135.06723	1.2
136.06189	76.6
137.04620	2.5
138.05502	5.4
140.07057	3.2
145.05026	3.9
145.08626	0.8
145.10158	0.7
147.04405	2.6
150.05515	3.9
150.09129	3.0
151.06305	3.5
152.07066	7.3
153.01828	2.6
158.99661	1.5
162.07753	100.0
163.02756	0.8
163.06102	1.1
164.07899	0.7
166.08629	1.1
168.06572	16.2
169.07294	1.1
177.04219	1.4
178.04555	0.7
178.08626	9.4
179.06941	1.0
192.10167	0.9
203.09106	0.9
204.06471	1.2
206.06361	1.2
206.08124	16.0
218.07988	1.9
219.01518	1.2
220.09717	1.2
220.13510	1.4
231.08626	13.0
236.07411	1.1
236.09579	2.7
245.10457	5.1
245.60425	0.9
248.09065	4.1
248.11346	29.2
264.10770	1.0
265.61682	0.7
266.12302	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13301	0.3
55.01863	0.6
55.05508	0.7
56.96550	0.4
57.03444	2.4
61.02940	2.3
64.05251	0.2
68.98302	0.3
69.03433	4.5
70.06595	0.7
70.99870	0.6
71.01337	0.3
71.04982	1.0
71.54310	0.4
71.99938	0.4
73.02920	3.8
74.06114	0.3
74.83410	0.3
76.37909	0.2
77.00891	0.3
81.03422	1.5
81.04543	0.4
82.99829	1.9
83.04984	0.8
83.99891	2.3
84.08136	0.5
85.02908	5.6
86.03274	0.4
86.06070	0.4
87.04466	1.2
90.00969	0.3
91.03982	0.3
91.05477	0.5
97.01434	0.4
97.02896	3.8
98.01489	0.5
98.03227	0.3
98.97596	0.6
99.04461	1.0
101.00888	13.0
102.00956	18.9
103.00655	1.9
103.01252	0.5
103.02521	0.3
103.03204	0.3
103.03905	0.3
104.02574	0.3
104.07107	0.9
104.10738	2.2
106.02701	0.3
109.02914	0.8
111.04472	0.4
112.03741	0.8
113.00842	0.7
114.00978	1.0
115.02431	1.1
116.02509	1.6
117.02145	0.4
117.02938	0.4
118.04106	0.3
119.01933	13.3
119.04939	0.3
120.02013	21.5
121.01670	1.2
121.04211	0.4
122.07180	2.4
123.07521	1.8
127.02418	1.0
127.03958	1.4
128.02498	2.0
129.05466	0.5
129.10220	0.3
130.03899	0.4
131.01903	1.2
132.01961	1.3
132.03503	0.3
133.03432	1.5
134.03511	3.1
135.03139	0.4
137.02954	0.9
138.03061	1.7
139.02412	1.5
139.04190	0.4
140.02534	3.6
143.01913	5.1
144.02026	10.2
144.04787	1.1
145.01666	1.1
145.03404	1.8
145.05074	0.8
146.03619	5.4
146.05019	0.4
146.55109	0.4
147.01360	0.3
147.03146	0.4
147.04982	0.7
148.05003	0.5
153.55869	1.3
154.04764	0.6
155.01891	0.6
155.55696	0.3
156.01968	0.8
157.01622	0.4
157.02174	0.4
157.03474	5.9
158.03622	17.7
158.99760	0.4
159.03236	1.0
161.02960	3.7
161.55699	0.3
162.03117	9.5
163.02696	0.9
163.04501	1.0
164.03198	0.4
164.04678	2.9
167.05513	0.4
169.04472	0.4
170.03633	0.4
172.05331	0.3
173.02971	0.5
174.03101	0.9
175.03076	0.5
175.04401	2.4
176.04675	8.0
176.06036	0.5
177.00951	0.7
178.04964	0.7
181.05602	0.5
182.05708	1.4
184.05840	2.0
184.55954	0.4
185.06689	3.2
185.56554	0.3
186.03209	0.4
187.04543	0.4
188.04735	1.3
190.05956	0.4
194.07143	0.7
199.06308	0.4
201.00754	0.3
201.02470	0.4
204.04327	0.4
205.05577	2.8
206.05704	8.5
219.01962	1.1
223.06625	6.6
224.06818	18.3
225.06395	1.1
241.07698	0.8
242.07831	3.4
246.08272	0.3
248.04358	0.4
248.06828	4.2
249.08382	0.3
257.06741	0.4
261.03036	3.8
265.07681	2.0
266.07889	100.0
267.07544	2.9
277.07776	0.7
278.08038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
59.99944	0.6
60.08168	0.5
61.02908	0.6
69.03420	1.5
69.73318	0.5
69.73727	1.5
71.99928	0.4
73.02922	1.1
78.00996	0.8
81.03415	0.5
82.99855	1.2
83.99861	1.8
84.04473	0.3
85.02903	1.9
87.04463	0.5
89.00872	0.4
91.05501	0.8
95.06070	0.4
97.02879	1.0
98.20767	0.6
99.04493	0.4
101.00886	12.6
102.00956	20.9
103.00618	0.9
104.10741	4.5
112.03779	0.4
114.01003	1.1
115.02453	1.0
116.02534	2.0
118.04049	0.4
119.01931	18.0
119.04916	0.8
120.02015	32.6
121.01662	1.4
121.04241	0.4
127.03919	0.4
128.02538	2.1
129.76843	0.4
130.04053	0.5
131.01897	0.8
132.01996	1.2
133.03436	1.4
134.03508	3.2
137.02975	1.6
138.03079	3.3
139.02429	0.9
140.02548	4.0
143.01918	2.7
143.03572	0.4
144.02037	9.6
145.01680	0.4
145.03481	2.5
146.03584	7.1
152.05644	0.7
157.03479	6.3
158.03624	23.7
159.03259	0.8
161.02956	4.0
162.03101	11.8
163.02765	0.8
163.04524	1.3
164.04616	3.7
170.04118	0.6
173.03008	0.7
174.03059	0.4
175.04585	2.4
176.04677	13.0
181.05452	0.9
182.05766	2.5
188.04723	1.3
189.05464	0.6
201.02425	0.5
205.05667	2.1
206.05746	14.5
222.06757	0.8
223.06665	6.0
224.06805	40.6
225.06407	1.3
241.07719	1.6
242.07864	8.4
247.08369	1.6
248.04672	0.5
248.06952	1.4
262.00964	0.3
265.07693	0.6
266.07895	100.0
266.15878	7.7
267.07437	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	266.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54183	0.2
74.39176	0.1
82.99839	0.7
101.00887	6.4
101.65945	0.1
102.00970	0.1
119.01927	8.7
122.97787	0.2
134.99901	0.6
137.02977	1.0
140.98840	1.3
142.03471	0.2
157.02003	0.1
158.99904	4.2
165.99695	0.3
175.03004	0.4
177.00961	19.8
178.01103	0.3
182.99860	1.1
183.01378	0.2
193.04131	0.2
195.01979	0.2
199.03017	0.3
200.02618	0.2
200.99185	0.3
201.00938	3.7
201.02513	0.5
213.25288	0.1
217.04108	3.4
219.02016	23.8
219.94489	0.5
220.02179	0.7
224.00212	0.1
225.00826	2.5
234.00732	0.4
237.95554	0.2
241.96046	0.1
242.03575	0.2
242.96468	0.6
243.01988	13.8
244.02307	0.1
248.86687	0.1
249.98694	0.1
261.03070	100.0
262.03214	0.9
263.03534	0.5
266.03320	0.3
266.07950	0.4
284.04620	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68355	0.3
58.99871	0.5
68.98302	0.4
69.03432	0.7
69.37554	2.8
69.37899	0.5
70.99859	1.1
76.76167	0.3
81.03411	0.7
81.04538	1.6
82.99841	5.2
85.02919	0.9
91.05442	0.5
97.01387	0.8
97.02891	0.6
98.21478	0.5
101.00890	34.5
103.00668	0.6
113.00887	1.8
115.02434	2.7
116.98653	0.4
119.01929	25.5
119.04951	0.7
121.01627	0.5
122.07162	13.7
122.08056	0.7
127.02419	3.7
131.01900	1.9
133.03465	3.2
137.02982	1.1
139.02405	5.9
142.03493	0.6
143.01904	15.4
144.04800	4.7
145.01656	1.4
145.03476	6.3
147.04404	0.4
155.01884	0.6
157.03476	21.3
161.02968	11.5
161.04344	0.7
163.02655	1.7
163.04535	4.1
169.03494	0.6
170.56339	0.4
173.02983	1.1
175.04539	7.9
181.05554	1.5
187.04556	1.1
193.03909	0.4
203.03859	0.5
205.03827	0.7
205.05583	9.5
219.68353	0.3
223.06644	17.4
238.57684	0.4
239.07339	0.3
241.07706	2.9
247.04529	0.7
247.06671	3.3
261.03125	0.4
265.07715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85911	0.3
65.11175	0.3
68.98293	0.4
69.47427	1.8
69.47833	0.7
70.99845	1.0
77.00960	0.3
82.99841	5.4
85.01415	0.7
85.02885	0.4
90.74241	0.3
97.01398	0.6
98.21549	0.6
101.00887	38.3
103.00671	0.6
103.02483	0.5
113.00881	1.3
115.02456	3.3
117.04010	0.6
119.01929	26.6
127.02446	4.2
129.03995	0.6
131.01913	2.0
133.03474	3.9
137.02954	1.2
139.02412	7.3
142.03436	0.5
143.01907	16.5
145.01660	1.2
145.03448	6.5
157.03479	23.8
161.02968	11.5
163.02708	1.3
163.04535	5.2
169.03439	0.9
173.02957	1.0
175.02969	0.7
175.04530	9.3
181.05550	1.6
187.04535	1.0
193.03728	0.3
205.03908	0.6
205.05577	11.1
223.06641	30.4
241.07713	4.4
246.08282	0.6
247.06609	2.2
252.64624	0.3
265.07700	100.0
266.07825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	2.3
60.26206	0.8
71.54725	0.8
72.08148	3.8
81.04527	1.3
89.03905	0.9
91.05495	1.6
93.07018	1.0
93.54786	0.8
98.97591	1.8
103.05469	4.0
107.04916	1.0
110.64051	0.9
117.07053	0.8
119.04931	1.6
120.08113	51.2
121.06491	0.8
121.65840	0.8
122.07158	10.7
136.02847	1.0
138.09184	1.5
141.84904	0.8
144.04796	3.4
145.02895	0.8
147.04405	1.4
157.94804	0.8
161.06059	1.1
162.98929	0.9
163.03883	2.4
175.03952	0.9
175.07509	1.1
177.05579	1.2
189.05524	4.2
207.06555	1.0
233.04213	1.2
247.09724	1.0
247.14589	4.6
253.04044	0.9
265.06845	100.0
265.15469	10.3
273.93076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.8
59.14605	0.6
69.58832	4.4
70.98097	0.9
72.08144	0.6
77.22854	0.6
79.20134	0.8
82.86517	0.8
91.05504	1.2
98.97578	1.7
103.05455	0.8
107.83485	0.7
119.04952	1.2
120.08118	6.0
122.07169	3.3
127.02245	0.7
127.53593	0.8
129.03381	1.0
136.02826	1.1
144.04756	1.0
147.04395	1.7
177.05463	1.3
189.05499	4.5
205.01689	0.7
207.04784	0.7
232.50058	0.9
233.04333	0.8
265.06851	100.0
265.15274	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	265.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46460	0.5
51.47800	0.5
53.60460	0.6
61.97718	0.5
69.47984	4.3
75.83517	0.5
81.04529	2.6
91.05437	0.8
98.21561	1.1
98.97539	0.9
104.96180	0.6
122.07156	19.2
144.04802	4.2
151.13480	0.6
161.06001	0.6
172.94218	0.6
190.54694	0.6
205.08577	0.9
214.49864	0.8
247.05775	1.9
257.66226	0.6
259.62247	0.6
265.06839	100.0
265.96017	0.7
266.25156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03950	1.3
55.01886	0.7
55.05516	12.8
56.96573	1.4
57.03432	1.5
57.07079	11.6
57.95362	0.6
65.03940	2.7
67.05508	87.5
69.04324	0.6
69.06692	1.0
69.07072	16.7
71.04996	1.4
71.08636	7.3
79.05497	20.8
81.07062	100.0
83.05011	1.6
83.08630	16.0
85.06541	4.9
85.10200	3.5
91.05486	17.0
91.06025	1.2
93.07055	26.4
95.04976	1.6
95.08612	88.4
97.06532	9.2
97.10172	7.5
98.21550	1.0
99.08097	5.8
100.91977	0.7
104.99291	8.3
105.04499	1.3
105.07036	10.1
107.08604	15.4
109.06528	1.5
109.10163	48.6
111.08078	4.2
111.11729	1.7
113.09608	3.3
119.08588	13.3
121.10153	19.0
123.08073	2.9
123.11713	22.1
124.18922	0.6
125.09627	2.1
127.11192	1.9
131.08575	1.0
133.10136	16.3
134.97127	0.6
135.11708	12.9
137.09601	2.1
137.13255	7.3
141.12755	2.0
147.11690	12.0
149.13278	10.2
151.14828	9.9
155.14326	2.6
161.13255	10.7
163.14819	10.5
165.16409	10.0
167.14343	0.9
175.14825	9.2
177.16432	2.4
179.17931	3.9
181.15948	1.6
189.16386	3.3
199.06464	1.0
207.17555	0.8
217.07465	1.5
217.19511	2.0
222.08115	0.6
245.22665	40.7
263.23715	96.3
279.72162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.2
57.03458	2.3
57.07077	13.1
59.96336	2.5
65.03915	2.9
67.05505	78.7
69.07073	18.7
71.08612	6.7
71.56174	3.6
79.05490	19.8
81.07056	100.0
83.04979	2.6
83.08611	15.9
85.06532	4.6
85.10160	3.5
91.05481	19.8
93.07041	23.0
95.04955	2.5
95.08605	79.4
97.06540	10.1
97.10160	7.6
99.08085	7.7
104.99287	16.4
105.07024	17.0
107.08582	18.2
109.06496	2.4
109.10159	41.9
111.08094	3.5
113.09663	3.3
119.08577	12.7
121.10138	19.8
123.08109	1.9
123.11702	22.9
127.11200	3.9
131.08507	2.3
133.10138	16.8
135.11696	13.0
137.09627	3.1
137.13257	9.0
147.11681	13.9
149.13228	8.4
151.14792	10.0
154.18895	1.9
161.13252	13.8
163.14821	7.8
164.69817	2.1
165.16389	15.5
175.14838	8.1
177.16425	2.5
179.17953	7.6
189.16389	5.2
217.19518	5.4
245.22667	53.8
263.20166	5.8
263.23697	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.97104	0.5
53.03944	1.6
55.01866	1.7
55.05510	15.6
57.03437	1.4
57.07073	11.6
57.91022	0.5
63.66829	0.4
65.03937	3.1
67.05503	94.0
68.20766	0.5
69.07066	16.9
69.38831	2.3
69.39259	1.7
71.04981	1.9
71.08624	6.3
79.05012	0.7
79.05492	23.0
81.07055	100.0
83.04978	1.9
83.08618	14.8
85.06543	3.4
85.10188	3.8
89.47155	0.5
91.05481	17.7
93.07042	22.1
95.04966	1.5
95.08605	84.1
97.06532	7.6
97.10166	6.9
99.08078	4.7
104.99270	3.3
105.07031	11.8
107.08591	16.1
109.06526	1.1
109.10155	43.8
111.08079	3.7
111.11706	1.6
113.09625	2.5
119.08585	11.6
121.10143	16.9
123.08067	2.3
123.11700	21.3
125.09620	1.0
127.11228	1.2
133.09122	0.8
133.10138	15.9
135.11694	8.1
137.09613	1.8
137.13261	6.9
141.12758	2.1
147.11691	9.4
149.13268	8.2
150.58443	0.5
151.11168	1.4
151.14821	7.8
153.12805	0.5
155.14290	1.4
161.13261	10.7
163.14809	8.4
165.16386	7.9
175.14818	7.2
177.16389	1.4
179.17934	4.5
181.15900	0.9
186.34001	0.5
189.16408	4.0
203.17990	1.4
217.19502	1.7
219.21016	0.8
221.19012	0.6
245.22646	33.7
263.23694	79.5
264.23987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.13230	0.8
53.03933	1.2
55.05513	14.8
57.03443	1.3
57.07079	10.7
65.03941	2.4
67.05507	80.4
69.06731	1.3
69.07069	16.5
69.38464	2.0
69.38859	5.7
71.04991	1.2
71.08635	6.5
72.19159	0.8
77.03936	1.0
79.05491	19.3
80.72282	0.8
81.07057	100.0
83.04978	1.2
83.08627	14.6
85.06532	3.5
85.10185	3.0
90.38448	0.8
91.05484	17.2
93.07047	24.3
95.04972	1.9
95.08609	82.0
97.06524	7.2
97.10161	6.0
99.08092	5.0
104.99284	5.1
105.07032	10.8
107.00294	0.8
107.08604	14.3
109.06526	1.5
109.10160	44.5
111.08096	4.1
111.11708	1.5
113.09653	2.3
117.07011	1.6
119.08580	12.8
121.09344	1.3
121.10155	17.4
123.08066	2.4
123.11709	20.6
127.11192	2.0
133.10132	14.2
135.11690	10.5
137.09586	2.5
137.13268	7.9
139.11111	1.2
141.12746	2.1
147.11705	11.4
149.13274	10.0
151.11150	1.5
151.14813	9.1
155.14259	2.5
161.13266	13.5
163.14845	7.3
165.16400	10.5
168.95767	1.5
173.13289	0.9
175.14806	6.4
177.16411	1.7
179.17958	3.9
181.15814	1.1
186.96783	2.1
189.16379	3.7
203.17924	2.2
217.19418	1.3
242.99677	0.8
245.22653	39.3
256.06409	0.9
260.74396	1.0
263.23700	87.6
276.99612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.00303	0.8
53.03945	1.1
53.34343	0.8
55.01860	0.9
55.05516	14.9
57.03436	1.3
57.06829	0.9
57.07083	10.3
59.99186	0.8
61.13226	0.9
64.77432	0.8
65.03946	2.1
67.05510	81.9
69.06728	1.3
69.07069	16.5
69.45827	5.0
71.04986	1.3
71.08635	5.9
79.05503	22.1
81.07062	100.0
83.04979	1.4
83.08163	1.2
83.08627	14.4
85.06528	4.4
85.10175	3.2
91.05486	17.6
93.06493	1.2
93.07056	21.8
95.04990	1.6
95.08613	91.3
97.06532	6.7
97.10167	6.9
99.08102	5.3
104.19504	0.9
104.99281	14.4
105.07043	10.1
107.08601	14.8
109.06522	1.7
109.10162	45.4
111.08091	3.4
111.11723	1.2
113.09644	3.6
119.08589	13.4
121.10150	16.7
123.08078	1.8
123.11715	21.8
125.09624	1.0
125.76388	0.9
127.11200	2.6
127.21150	0.8
131.08595	1.1
133.10143	16.6
135.11708	11.5
136.67064	0.9
136.93097	1.0
137.09610	2.5
137.13274	7.8
139.11168	0.9
141.12746	2.5
147.11687	10.6
149.13292	8.3
151.14841	8.3
155.14287	2.9
161.13255	11.2
163.14833	9.4
165.12788	0.8
165.16408	12.5
167.14203	1.3
168.95744	2.7
175.14824	10.2
175.19601	0.9
177.16383	2.0
179.17969	5.6
181.15858	1.8
186.96812	3.2
189.16418	4.3
203.17981	2.2
207.17523	0.8
217.19540	1.4
245.20091	1.2
245.22672	38.3
263.14679	5.9
263.23712	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94578	36.8
69.94991	21.8
76.88248	11.8
79.01933	9.7
95.83038	10.4
105.56753	11.5
109.44169	12.4
140.27043	10.5
161.03001	31.1
191.97856	10.1
203.03957	10.5
263.01682	100.0
263.06256	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	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54912	61.6
79.07406	8.4
82.20031	9.0
98.21501	18.9
99.14507	8.9
143.01938	19.9
156.17143	9.2
161.02942	16.8
183.96390	10.5
211.64740	11.2
263.01645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92243	2.5
70.99834	2.7
78.00663	2.4
82.99841	2.9
101.00875	19.0
108.32624	2.8
119.01932	22.1
131.01849	3.4
138.96440	3.9
139.02353	4.3
142.94688	3.4
143.01894	22.3
145.03389	11.2
155.87158	2.5
156.97467	33.1
157.03407	10.4
161.02975	32.6
164.93016	12.4
167.01860	3.2
174.98567	14.1
175.04381	3.2
180.89204	5.6
180.90462	6.7
185.02936	5.2
198.98515	19.1
203.04004	16.3
216.99594	35.1
221.04919	10.1
222.00111	3.0
234.37932	2.8
239.05991	7.0
239.97737	3.3
245.05107	4.5
263.03372	4.0
263.06006	100.0
264.88406	2.6
281.51459	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03944	1.2
55.01876	0.4
55.05511	9.3
56.56995	0.2
57.03427	1.0
57.07080	3.3
59.04993	0.3
60.69650	0.3
63.43721	0.2
65.03944	1.0
67.05505	28.9
68.17075	0.3
69.07068	9.2
71.05006	1.4
71.08634	1.0
71.56499	0.4
77.03943	0.5
77.38511	0.2
79.05495	40.6
81.03416	0.6
81.07056	35.2
83.04988	0.6
83.08623	5.2
85.06546	2.9
91.04642	0.3
91.05481	19.0
93.07044	53.3
95.04969	2.2
95.08607	27.4
97.06517	2.2
97.10163	2.0
99.08089	2.9
99.33082	0.2
105.04556	0.7
105.07030	13.8
107.04922	0.3
107.08596	34.5
109.06531	1.3
109.10159	11.0
111.08074	2.4
111.11725	0.7
113.09634	1.0
117.07019	5.2
117.62584	0.3
119.06098	0.5
119.08583	10.8
121.10145	31.2
123.08102	1.3
123.11698	3.5
125.09640	0.7
129.06985	0.5
130.07787	0.6
131.08574	10.2
133.10133	10.4
135.11691	26.4
137.09645	1.4
137.13287	1.4
139.11147	0.8
143.08556	0.3
145.10121	10.3
147.11690	8.9
149.09621	0.6
149.13258	21.4
151.11151	0.8
151.14844	0.7
153.12726	0.5
159.11702	7.7
161.13252	9.1
163.14824	15.5
165.12755	1.1
173.13266	8.1
173.14476	0.2
175.14827	3.5
177.12717	0.3
177.16376	4.7
179.14316	1.3
184.87939	0.2
185.03224	0.2
187.14828	5.4
189.16403	0.9
191.14348	0.5
200.91261	0.3
201.16388	2.6
203.17966	0.4
205.15860	0.5
207.76678	0.3
210.03296	0.3
215.17953	1.7
217.19554	0.5
219.17494	0.8
233.18901	0.4
233.22656	1.3
243.21086	26.6
261.22134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.50240	0.3
53.03940	1.9
55.01872	0.8
55.05265	0.7
55.05513	8.7
56.96558	0.4
57.03426	1.0
57.07076	3.3
65.03943	1.1
65.63662	0.4
67.05505	32.5
69.03432	0.7
69.07071	9.9
71.04996	1.5
71.08634	0.7
71.56227	0.4
77.03915	0.5
79.05494	39.7
81.03449	0.3
81.07057	37.3
83.04981	0.9
83.08617	5.1
85.06541	3.1
85.10197	0.5
91.04635	0.4
91.05482	19.5
93.07045	52.6
95.04975	2.4
95.08609	27.4
97.06541	3.1
97.10197	2.4
99.08098	2.5
104.13793	0.4
105.04531	1.0
105.07034	13.2
107.08596	34.6
108.09242	0.3
108.26416	0.3
109.06522	1.4
109.10159	11.7
111.08111	2.2
111.11721	0.6
113.09666	1.0
117.07026	5.0
119.08585	11.9
121.10146	33.9
123.08061	0.9
123.11703	3.5
125.09631	0.9
127.11188	0.4
129.07091	0.4
131.08574	11.6
133.10135	10.5
133.11104	0.7
135.08060	0.7
135.11694	27.4
137.09625	1.4
137.13243	1.2
139.11209	0.5
143.08591	0.4
145.10126	11.9
147.11696	8.8
149.09601	1.1
149.13263	22.6
151.11186	1.2
151.14766	0.4
153.12764	0.4
156.48964	0.3
159.03618	0.4
159.11697	7.6
161.13269	10.5
163.11230	0.5
163.14832	16.2
165.12756	0.8
167.14479	0.4
171.11725	0.4
173.13272	8.6
175.14845	4.3
177.16394	5.4
179.14345	1.4
187.14815	6.0
189.16393	0.7
191.14436	0.5
201.16429	2.5
205.15903	0.6
215.17967	1.4
219.17319	0.8
233.22691	0.6
243.21092	27.5
261.22137	100.0
262.22482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0584
Annotation	Suprofen
Peak:m/z	Relative Intensity
64.31604	1.0
66.27682	1.2
66.66303	0.9
70.20383	2.1
70.20779	2.8
82.40919	1.0
84.08130	1.3
88.72601	1.0
92.72946	1.0
94.81850	1.1
98.97575	3.3
101.00871	2.8
116.98640	2.0
119.01896	3.1
122.07697	1.0
133.03456	2.3
138.99954	1.2
161.02974	1.5
169.01172	1.8
171.02594	1.1
171.05003	1.1
177.00906	2.2
201.00914	2.5
201.03687	3.5
219.01942	3.9
225.00975	1.2
229.03210	28.2
243.02055	2.8
243.04788	4.5
254.20380	1.0
261.03085	26.7
261.05829	100.0
261.09406	30.8
270.10605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.3
60.67579	0.2
69.90584	1.0
82.99854	0.6
87.17417	0.3
89.54445	0.3
89.68446	0.2
94.55235	0.2
96.33212	0.3
97.63637	0.2
98.97568	1.5
101.00873	5.3
116.98634	0.8
119.01917	5.6
131.01828	0.3
134.99855	0.6
137.02936	0.5
140.98796	1.0
143.01894	0.4
158.99895	2.8
161.02986	0.5
171.01430	0.4
177.00954	9.9
177.96849	0.3
178.93347	0.4
182.99933	0.9
189.02441	0.4
195.01698	0.4
196.94438	5.5
199.02931	0.6
201.00899	3.4
201.02527	0.3
203.18326	0.3
214.95366	8.4
217.04085	1.9
219.01991	16.0
219.96008	1.4
225.00906	2.8
230.83800	0.3
232.96626	3.9
234.97420	0.4
235.75043	0.3
235.90569	0.3
237.97069	7.6
238.95586	1.2
242.97852	0.9
243.01987	12.8
250.46527	0.3
255.95616	0.4
255.98230	2.6
256.96603	3.0
261.03052	100.0
262.03152	1.4
264.95651	0.3
274.97638	0.6
279.00156	0.5
279.98178	0.5
284.04529	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.95052	1.9
55.05505	8.2
57.07086	1.7
67.05518	9.5
68.73364	1.4
69.07076	31.9
71.04527	3.7
71.04992	31.8
73.02820	1.8
79.05479	6.3
81.07072	14.7
83.04974	5.5
83.08610	6.9
85.06552	22.3
91.05505	8.9
93.07055	14.4
95.04987	3.2
95.08601	19.3
97.06533	6.6
105.07026	20.3
107.08603	17.9
109.06515	7.6
109.10154	16.0
111.08107	14.6
117.07012	6.0
119.08583	48.0
121.10126	12.7
123.08137	2.4
123.11708	25.8
125.06799	1.7
129.07004	3.9
131.08571	13.7
133.10132	37.0
135.08041	20.5
135.11685	5.5
137.09584	4.4
143.08578	6.7
145.10136	28.3
147.11699	17.8
149.09578	2.6
149.13263	2.5
156.09433	3.5
157.10175	9.2
158.10851	2.0
159.11691	27.5
161.09618	1.8
161.13255	36.5
161.64787	1.8
163.11133	2.1
171.11748	17.0
173.13225	9.0
175.11304	2.6
175.14836	90.8
176.15637	5.5
177.12790	3.4
177.16368	2.7
185.13269	13.7
189.12802	5.1
189.16425	6.6
190.13643	2.3
191.14244	2.5
199.14824	6.2
201.16399	25.2
203.14360	10.0
215.17934	5.9
217.19426	3.2
241.19519	17.7
259.20584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1329
Annotation	Mucidin
Peak:m/z	Relative Intensity
55.01865	2.5
55.05504	3.5
56.96569	7.0
57.07075	1.6
67.05496	4.6
69.07059	3.6
71.56403	1.5
79.05486	5.3
81.07043	4.1
91.05472	8.2
93.07031	3.7
95.04975	1.1
95.08595	2.9
97.06530	11.4
98.97585	1.3
103.05456	1.5
105.07017	9.3
115.05449	5.0
117.07012	2.8
119.08601	8.9
128.06213	34.3
129.07002	57.1
131.08578	4.5
133.06482	1.3
133.10114	6.0
135.04395	4.1
135.11717	1.6
136.93167	1.2
141.06978	9.8
142.07779	34.9
143.08553	88.5
145.06511	2.2
145.10130	3.3
147.07425	1.1
147.11685	4.1
153.07011	6.1
154.07744	1.6
155.06038	1.6
155.08583	2.3
156.09329	8.1
157.06516	5.6
157.10123	38.2
159.11668	3.4
161.13242	1.5
163.03877	6.9
165.06975	1.5
166.07790	4.7
167.08612	1.5
169.06444	3.6
169.10147	5.2
170.07283	5.2
171.08044	2.8
171.11678	62.2
172.94382	1.5
173.02315	2.1
173.13336	1.9
181.10130	8.2
183.11674	1.8
185.09607	5.2
188.60921	1.3
189.12752	1.2
197.01169	1.2
199.11169	100.0
200.76674	1.1
209.09610	2.6
213.16521	1.6
213.96939	1.6
215.06964	5.9
227.04675	1.6
227.10645	59.5
231.13783	27.3
236.12498	3.1
241.19508	2.3
259.09662	1.9
259.13336	10.8
259.16904	4.3
259.20596	16.2
259.28238	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	259.0965
Annotation	Peucedanin
Peak:m/z	Relative Intensity
53.03949	0.9
55.01868	3.9
55.05513	0.9
57.03429	1.5
67.05505	3.7
69.03433	0.9
69.07069	13.6
70.75367	0.5
76.69901	0.5
79.05489	12.2
85.57333	0.5
89.00201	0.5
89.03915	6.4
91.05450	0.7
95.04970	0.8
97.06528	100.0
98.20808	1.4
102.21975	0.5
105.03379	0.8
107.04947	0.9
115.05528	0.7
116.96756	0.5
117.03374	6.8
119.04959	0.5
129.06926	0.6
133.02841	4.0
134.03665	0.5
135.04398	6.8
145.02831	6.4
147.04398	0.8
159.04420	5.1
159.08086	0.7
161.02339	16.7
163.03903	41.6
173.02342	37.6
173.03873	0.7
180.30833	0.5
185.05960	1.4
186.03122	1.3
187.07556	0.9
199.03911	0.6
213.16393	1.0
215.07021	48.7
241.08536	0.9
259.09641	26.5
259.16977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.05506	0.5
56.96556	1.8
57.03440	0.8
59.93333	0.4
60.34150	0.4
65.03938	0.7
67.01869	0.6
67.05502	1.2
69.03432	6.6
70.76250	1.0
71.01366	1.0
71.04987	1.6
77.03904	0.6
79.05076	0.6
79.05502	7.9
81.03411	1.7
83.05002	2.1
84.04510	0.6
85.02911	2.3
89.03930	0.9
91.05476	2.0
93.03397	1.0
93.05778	0.4
95.01334	10.8
95.04994	3.3
97.02895	16.9
97.03529	1.0
98.97593	1.1
99.00848	3.1
99.04462	3.7
102.31772	0.4
103.03925	0.6
103.05576	0.4
105.03389	0.8
105.04571	0.7
105.07034	1.6
107.04959	12.7
109.02876	1.0
111.04448	5.2
112.01604	2.0
113.02341	0.9
115.03942	0.5
117.03371	1.1
119.04981	0.8
121.02895	2.2
121.06516	0.5
123.00798	1.7
123.04433	1.8
124.99125	0.7
125.02348	1.2
127.03922	100.0
131.03407	1.6
133.02834	1.2
133.06429	0.4
135.04424	14.9
137.02354	1.2
139.03922	6.3
141.01941	0.6
141.05482	1.5
143.00208	1.0
145.02869	3.3
147.04407	0.4
149.02350	1.9
149.06015	0.8
151.03903	1.4
153.05405	1.1
155.03349	0.5
161.02391	0.7
163.03915	21.8
164.04224	1.0
165.05545	0.5
167.03369	0.5
167.06999	0.5
173.02354	1.5
177.05489	1.2
179.03477	1.0
181.04790	1.0
185.01283	0.6
191.03419	5.9
193.04959	0.5
195.06503	0.8
197.02856	1.4
205.04979	8.7
206.03383	1.6
209.04466	1.4
213.00691	1.0
215.03934	1.9
223.06065	2.3
226.54694	0.8
227.05487	1.5
231.01756	2.7
241.07074	14.8
249.02911	1.7
259.04257	3.1
259.08118	4.8
268.50153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07787	0.7
51.60909	0.8
56.96556	3.3
58.77619	0.8
58.99857	0.8
69.03425	2.2
70.55104	2.5
70.99865	1.1
72.08165	0.9
73.02900	1.5
82.99840	1.3
85.02900	2.2
86.09685	0.9
89.03901	0.9
91.05479	1.2
97.02902	2.0
98.97603	5.5
101.00877	8.0
104.58591	0.8
115.02488	1.0
116.98643	1.9
117.03387	1.4
119.01923	8.4
119.04981	1.5
124.99184	1.0
126.34828	1.0
131.01872	1.6
133.03476	6.8
135.04451	1.8
137.02074	1.1
139.00003	2.4
143.00229	1.3
143.01918	1.1
145.02731	1.1
147.04401	1.5
147.34029	0.8
149.03000	1.9
156.99883	1.2
161.02989	2.4
163.03880	10.9
164.04230	1.4
170.99686	1.2
171.01393	2.7
173.02959	1.3
175.00893	6.9
176.04062	1.2
189.02397	6.3
189.05551	0.9
193.01945	1.4
199.02222	15.0
213.00734	0.9
215.03941	3.1
215.54077	1.0
217.01941	12.8
231.01758	3.0
235.03017	6.4
241.03253	5.5
249.02782	1.5
259.04288	100.0
277.00986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.05029	0.1
57.05821	0.2
57.06791	0.2
57.07074	4.8
57.28183	0.1
58.06341	0.2
58.06573	1.0
69.07062	0.2
69.18786	1.0
70.06590	1.0
71.08629	2.1
72.08152	18.4
85.09749	0.1
85.10165	0.8
85.13956	0.1
88.07626	1.6
90.09190	15.1
160.66116	0.1
212.23645	0.2
214.25307	0.8
258.27902	100.0
259.28226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
51.79205	0.7
55.01873	0.9
55.05508	3.7
56.96551	0.9
57.07059	1.3
66.90098	0.6
67.05512	5.2
69.03439	1.1
69.07067	5.0
71.04996	4.7
71.23862	1.0
79.05496	6.0
79.92205	0.6
81.07056	5.4
83.04996	0.9
83.08607	1.7
85.06535	3.3
91.05487	6.8
93.07048	16.6
95.04965	3.6
95.08613	10.2
97.06546	1.2
99.08063	1.7
103.05444	1.1
105.07036	21.1
106.07823	0.9
106.60635	0.6
107.08599	13.3
109.06518	6.8
109.10167	10.2
111.08066	2.8
113.09661	0.7
117.07026	4.6
119.08581	18.1
119.09379	1.3
121.10147	62.7
123.08051	2.8
123.11681	2.7
128.06227	1.7
129.06985	3.7
130.07840	0.7
131.08575	10.8
133.07639	1.0
133.10141	10.7
133.66786	0.6
135.07016	1.0
135.08058	18.8
135.11688	2.8
137.09616	6.1
141.06958	0.9
142.07770	4.2
143.08575	15.9
144.09329	1.7
145.10123	14.9
147.11679	3.6
149.09615	4.1
151.11172	2.3
153.06969	0.8
155.08545	2.3
156.09341	2.6
157.10126	17.2
158.10899	3.8
159.08075	1.5
159.11710	16.7
161.09630	2.5
161.13239	1.6
163.11133	3.3
168.09308	1.8
169.10127	7.6
170.10942	1.5
171.11685	11.0
173.09604	1.2
173.11787	1.2
173.13277	21.4
174.13986	2.0
175.11230	1.6
175.14835	1.9
177.12740	1.5
181.10040	1.0
182.10945	1.0
183.11697	7.7
184.12486	2.9
185.13258	2.6
186.10304	0.8
187.11223	4.2
187.14844	4.5
189.12753	1.8
195.11650	1.1
197.13263	7.4
199.14835	31.6
201.12747	8.6
209.13254	1.9
210.14098	0.9
211.14766	1.4
213.16383	9.8
214.17174	2.8
215.14291	2.5
215.17944	7.1
217.44415	0.7
224.15620	1.6
237.14432	1.0
239.17952	12.2
257.19016	100.0
257.26520	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03936	1.5
55.01862	2.2
55.05499	5.0
56.96554	1.5
57.03416	2.0
57.07063	1.5
67.05508	14.5
68.16843	1.3
68.31445	1.1
69.07053	4.2
69.70614	1.2
70.53202	1.1
71.04994	6.3
79.05505	9.0
81.07063	9.0
83.04990	1.4
83.08609	2.1
85.06540	3.0
91.05480	10.3
93.07046	18.9
95.04964	4.4
95.08599	12.4
97.06553	1.3
98.40115	1.0
98.97585	3.1
99.08112	1.6
103.05473	1.6
105.06400	2.0
105.07037	24.6
107.08599	20.2
109.00840	1.0
109.06538	6.0
109.10164	15.7
111.08067	4.7
115.05467	1.8
117.07026	4.3
119.08591	19.9
121.06510	1.3
121.10148	93.9
123.08068	4.2
123.11731	1.6
125.09681	1.7
128.06223	1.9
129.06985	4.5
131.08568	9.7
133.07660	1.8
133.10143	8.5
135.08058	30.0
135.11699	4.1
137.09599	5.5
141.07004	1.7
142.07774	4.3
143.08569	20.1
144.09306	2.0
145.10118	15.9
147.11707	2.4
149.09619	3.9
151.11163	1.6
155.08571	3.5
156.09351	2.6
157.10127	18.9
158.10887	1.6
159.11700	12.3
161.09500	1.6
161.13242	2.3
163.11192	3.2
168.09435	2.2
169.08830	1.6
169.10101	9.8
170.10832	1.7
171.11697	9.1
173.13269	17.6
177.12733	2.9
181.10085	1.8
182.10924	1.5
183.11658	8.0
184.12506	2.2
185.13211	3.0
187.11119	3.2
187.14853	3.4
192.87166	1.5
195.11569	1.2
197.13264	7.9
199.12981	1.9
199.14827	35.9
201.12764	6.9
213.16382	10.8
214.17001	2.4
215.14430	2.6
215.17918	7.8
236.71674	1.1
239.18005	13.3
257.19016	100.0
257.26688	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	255.1955
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.03948	1.5
55.05512	7.7
56.96559	2.1
57.03420	1.6
57.07068	3.7
59.05000	2.6
61.02919	1.0
61.82539	1.0
65.03895	1.4
67.05505	9.0
69.03416	3.5
69.07071	10.9
69.70113	7.1
71.04996	21.7
77.70977	1.0
79.05505	10.2
80.21426	1.0
80.33870	1.1
81.07058	25.0
81.76446	1.0
83.04979	3.0
83.08622	3.3
85.06529	4.2
86.09676	1.3
87.04491	1.5
89.72626	1.0
91.05476	13.0
93.07046	37.1
95.04972	11.8
95.08611	20.1
97.02896	1.6
97.06532	5.7
97.10169	2.1
98.97603	6.6
98.98463	7.9
99.08092	3.8
101.06024	2.3
103.05458	1.2
105.07039	32.6
107.08602	23.4
109.06511	3.6
109.10164	26.6
111.08076	2.4
111.11691	3.9
113.09683	1.2
116.98613	2.5
117.07008	2.7
119.08588	15.7
121.06501	1.2
121.10148	100.0
123.08083	3.4
123.11725	10.1
125.09636	11.3
127.07549	1.3
127.11189	7.2
131.08582	6.7
133.10136	99.3
135.08076	2.5
135.11664	8.2
137.09659	2.3
137.13275	1.4
139.11111	2.7
141.09082	1.9
143.10664	11.4
144.09303	2.0
145.10141	9.0
147.11685	16.1
149.05934	1.9
149.09647	1.6
149.13271	11.0
151.11185	24.2
153.12761	2.6
158.27217	1.1
158.99664	4.2
159.11700	18.0
161.13280	5.4
163.11182	2.1
163.14818	1.7
165.12764	1.7
173.13235	1.2
175.14793	2.2
177.00790	2.2
177.16414	3.4
189.16389	34.2
191.14420	1.5
191.17986	3.3
195.17448	1.1
201.16362	9.4
205.08086	1.2
207.17461	10.1
213.57964	3.8
214.08601	5.4
215.09370	2.2
219.17412	16.6
222.58559	1.5
223.09166	4.8
225.18456	2.4
237.18471	12.7
255.06500	2.6
255.19614	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	255.1744
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03942	1.7
53.61444	1.1
55.05270	1.2
55.05515	13.3
56.96569	1.3
57.03440	16.2
57.07071	2.9
58.43951	1.1
60.35925	0.9
65.03944	2.3
67.05507	26.8
69.07068	11.7
71.01349	1.5
71.04987	4.7
71.55811	1.6
77.08250	1.0
79.05071	2.0
79.05498	25.7
81.03413	3.0
81.07061	17.6
83.04991	10.1
83.08617	3.3
85.06538	4.5
91.05476	13.7
93.07045	34.1
95.04961	3.2
95.08604	7.1
97.06538	10.3
97.10168	3.2
98.98479	7.6
101.99146	0.9
105.04556	1.1
105.07021	11.3
107.04941	1.4
107.08601	23.7
109.06502	2.7
109.10149	3.9
111.08076	2.9
111.11819	1.2
117.07014	4.2
119.08588	14.7
121.06557	1.0
121.10146	7.0
123.08037	1.4
125.09623	2.1
128.06308	1.5
129.07019	3.4
130.07840	1.4
131.08566	4.5
133.10132	10.6
135.08096	4.8
135.11693	39.3
141.06944	2.2
142.07793	5.6
143.08549	12.8
145.10133	9.3
147.08006	1.4
147.11690	1.4
149.09622	1.7
153.06975	2.1
155.08566	8.1
156.09380	10.5
157.10129	17.4
157.11317	1.4
158.10916	1.4
159.08128	1.2
159.11705	6.9
161.09613	3.9
163.11191	6.7
165.07011	3.2
167.08600	4.7
168.09331	1.8
169.10149	10.6
170.10905	2.7
171.11699	24.5
173.09644	2.6
173.13278	2.9
175.11168	2.3
175.93306	1.1
179.08636	1.8
180.09392	1.6
181.10115	8.0
181.12181	6.7
182.10915	10.9
183.11697	10.0
184.12511	2.2
185.09647	3.5
185.13228	7.4
187.11169	2.7
193.10054	2.0
195.11713	10.9
196.12540	3.7
197.09608	2.2
197.13266	44.1
198.14084	3.7
199.11217	10.1
199.13013	2.0
207.11723	8.8
208.12495	3.6
209.13220	4.2
211.11208	1.7
211.14848	15.0
212.15639	11.6
213.12831	10.9
213.16368	24.2
214.13548	2.3
222.14040	6.0
225.12842	2.0
227.17982	1.8
237.16383	16.1
240.15088	5.1
255.10228	2.2
255.17722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01868	4.1
55.05270	2.7
55.05514	29.9
56.96566	1.7
57.03440	44.5
57.07064	6.1
67.05508	72.6
67.51539	1.7
69.03429	3.5
69.07075	25.2
70.57843	3.8
71.01361	4.0
71.05004	10.4
77.03936	2.7
79.05499	68.6
81.03422	6.9
81.06596	2.6
81.07060	37.9
83.04977	20.9
83.08629	7.8
85.06538	7.4
91.05486	32.2
93.07048	80.2
95.04956	10.4
95.08609	14.7
97.06527	22.4
97.10184	12.7
98.98479	21.2
99.08100	4.9
105.07024	14.1
107.04961	2.5
107.08603	52.1
109.06525	2.6
109.10169	10.7
111.08075	4.4
117.07013	8.2
119.08577	22.0
121.06526	3.1
121.10130	10.3
123.08126	2.2
125.09627	5.3
127.03951	2.0
128.06216	2.9
129.07018	3.8
131.08568	5.2
133.10135	12.0
135.08087	6.1
135.11702	100.0
137.09631	3.5
141.06998	3.6
142.07764	4.1
143.08546	14.2
144.09315	1.8
145.10126	17.3
147.11700	2.1
153.12817	3.5
155.08562	10.4
156.09357	13.4
157.10144	19.4
159.11678	6.7
161.09666	4.0
163.11200	17.0
167.08592	4.7
169.10127	14.0
170.10934	5.7
171.11711	28.6
172.12494	2.0
173.13252	4.2
180.09409	2.9
181.10164	8.0
181.12239	20.9
182.10922	10.1
183.11719	10.7
185.09660	3.2
185.13344	6.8
187.11220	1.9
193.10155	5.0
195.11710	11.8
196.12456	6.4
197.13281	44.6
198.14052	4.0
199.11191	11.2
202.49416	1.6
207.11678	5.5
208.12523	2.9
209.13283	2.1
211.14828	14.1
212.15587	11.5
213.12785	9.1
213.16362	23.6
214.13548	2.6
222.14034	6.8
225.12698	4.2
227.14352	2.5
227.17908	2.0
237.16417	15.1
240.14967	3.7
255.15604	40.6
255.17487	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03927	4.0
55.01853	3.1
55.05511	20.3
57.03437	41.0
57.07060	4.4
65.03921	1.4
67.05508	65.6
69.03397	1.7
69.07067	23.5
69.32478	7.7
69.93758	1.0
71.00964	1.0
71.01336	5.7
71.05001	7.5
71.08607	1.3
76.93337	1.0
79.05493	58.7
81.03421	6.5
81.07062	32.4
83.04510	1.5
83.04975	15.9
83.08633	5.9
85.06539	5.9
91.05476	19.3
93.07046	61.9
95.04960	4.9
95.08614	9.5
95.14856	1.2
97.06542	19.3
97.10170	17.0
98.20806	2.3
98.98468	13.9
99.04449	1.6
99.08084	2.1
105.04520	1.2
105.07058	5.8
107.04914	3.2
107.08595	47.1
109.06496	2.0
109.10146	8.7
111.04418	1.4
111.08086	2.7
111.11711	1.2
111.13031	1.0
112.42152	1.0
117.07002	6.9
119.08580	9.5
121.06488	1.4
121.10147	9.7
125.09596	3.2
130.07816	1.6
133.10092	4.5
135.08069	2.0
135.11696	100.0
137.09581	3.4
143.08527	1.4
145.10126	14.4
152.14560	1.0
153.12701	4.5
163.11189	14.0
181.12233	22.1
187.04498	1.3
199.13295	3.8
213.31784	1.0
219.13849	1.6
229.48322	1.1
237.14789	1.8
255.06497	1.5
255.15880	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
51.02372	1.3
53.03947	4.3
55.01858	2.9
55.05513	21.8
56.96550	1.0
57.03438	45.1
57.07065	3.4
59.12965	0.8
65.03933	2.1
67.05506	66.0
68.20297	1.0
69.03423	1.8
69.07069	20.7
69.72568	2.3
69.72986	2.9
71.01357	6.5
71.05003	6.3
79.05493	62.2
81.03429	7.4
81.06604	1.4
81.07063	28.5
83.04983	17.4
83.08613	5.5
85.02882	1.1
85.06544	5.8
91.05485	21.7
93.07046	71.0
95.04982	6.4
95.08607	8.8
97.06526	19.9
97.09550	1.2
97.10172	15.8
98.20789	1.1
98.98459	3.8
99.04438	1.5
99.08082	2.6
105.04506	1.3
105.07044	7.0
107.04957	2.9
107.08599	44.4
109.06558	2.0
109.10164	7.3
111.04401	1.4
111.08062	2.2
111.11736	1.4
115.05406	1.0
117.07003	6.0
119.08589	9.2
121.06513	1.4
121.10146	10.2
125.09634	2.9
130.07762	1.3
133.10124	5.2
135.11694	100.0
137.09601	2.6
139.07545	1.3
143.08563	1.1
145.10141	15.9
151.11171	1.1
153.07004	1.1
153.12743	3.9
163.11191	13.6
176.03886	1.0
181.06433	1.9
181.12230	22.6
181.13721	1.7
184.13286	1.7
198.10493	0.9
199.13280	1.8
200.03033	0.8
213.05516	1.4
227.06985	1.7
255.06555	15.3
255.15897	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	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
53.86821	1.1
55.01862	3.7
55.05275	1.3
55.05513	18.6
57.03440	48.4
57.07064	4.3
64.55630	1.3
67.05508	68.4
69.03396	1.3
69.06736	1.6
69.07071	24.7
71.01341	6.3
71.05003	7.1
71.06515	2.1
77.03925	1.7
79.05494	61.9
81.03409	5.6
81.07059	31.7
83.04982	19.3
83.08600	5.4
85.02877	1.3
85.06532	5.1
91.05479	25.9
91.19762	1.3
93.07047	69.2
95.04951	5.2
95.08609	11.4
97.06534	18.7
97.10170	17.1
98.97581	2.1
98.98465	6.2
99.08070	3.2
103.05489	1.1
105.04565	1.5
105.06991	6.1
107.04964	3.5
107.08597	44.7
108.30433	1.4
109.06499	1.8
109.10146	9.6
111.08067	3.2
111.11680	1.4
115.02931	1.1
117.07053	7.6
119.08594	10.0
121.06484	2.2
121.10175	10.1
122.48975	1.2
123.11723	1.2
125.05943	1.4
125.09595	4.0
130.07799	1.9
133.10162	6.4
133.10966	1.3
135.08038	1.7
135.11694	100.0
137.09596	2.6
139.07559	1.3
145.10152	15.5
146.73468	1.3
151.11189	1.2
153.12726	2.9
157.59608	1.4
163.11172	13.4
181.12234	23.5
195.02980	1.4
199.13257	1.8
219.13812	2.2
255.06735	2.1
255.15907	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03933	1.9
55.01865	2.5
55.05512	20.1
56.96566	1.1
57.03436	43.5
57.07053	4.3
65.03924	2.1
66.19927	1.0
67.05504	63.3
67.54062	1.1
69.03406	1.3
69.07066	23.5
70.15129	3.9
71.01358	7.1
71.05003	5.7
71.05300	1.2
74.48751	1.0
78.24093	1.0
79.05492	54.6
81.03423	6.9
81.07054	30.6
83.04556	1.5
83.04978	15.8
83.08604	5.6
85.06541	5.6
91.05478	21.3
93.07040	67.6
95.04978	4.8
95.08596	8.1
97.06532	20.7
97.09660	1.2
97.10170	15.9
98.98474	5.9
99.04474	1.6
99.08056	2.3
105.04509	1.3
105.07026	5.5
107.04932	2.3
107.07887	2.2
107.08591	41.9
109.10163	8.5
111.04364	1.0
111.08055	3.6
117.07011	7.9
119.08567	7.1
121.06494	2.3
121.10149	10.7
125.09627	3.1
133.10117	3.2
135.08087	1.8
135.11688	100.0
137.09538	1.7
143.08527	1.2
145.10117	16.2
151.11177	1.4
151.36511	1.0
153.12682	3.6
163.11186	13.8
177.05521	1.4
181.12231	21.6
199.13264	1.6
218.91698	1.1
255.06386	1.8
255.15868	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
55.01876	29.6
55.05280	1.5
55.05515	18.2
56.96565	1.4
57.03438	29.4
57.07084	4.6
59.04991	2.8
61.00891	0.8
64.90450	0.8
65.03915	2.7
67.05508	65.4
69.03417	5.5
69.07070	25.4
69.23284	1.2
71.04998	6.8
71.28900	1.1
71.53544	1.5
73.02914	1.2
76.51542	0.8
79.05499	60.2
81.03416	4.6
81.07059	37.0
83.04986	51.9
83.08619	12.5
85.02878	2.9
85.06544	8.0
87.04475	1.1
91.05484	22.7
93.07049	74.1
95.04983	7.7
95.08613	19.8
97.02891	1.8
97.05930	1.6
97.06533	31.0
97.10139	2.7
98.98473	14.8
99.04479	2.3
99.08079	2.9
103.03956	1.2
105.03375	1.7
105.04516	1.4
105.07047	6.6
107.04940	4.5
107.08596	43.0
109.06500	2.4
109.10152	11.6
111.04445	5.5
111.08084	8.7
117.07021	11.5
119.08591	16.2
121.06494	2.3
121.10150	23.3
125.05978	1.5
125.09699	1.6
127.03924	1.7
130.07780	1.9
133.10114	4.6
135.08037	2.8
135.11699	100.0
137.09589	4.3
139.07558	2.6
143.08559	2.2
145.10138	27.9
147.11722	1.4
149.06007	1.9
151.11150	1.8
153.11533	1.7
153.12753	33.2
157.10104	2.9
159.11644	1.2
161.94331	0.9
163.11189	45.4
165.12711	3.8
171.11719	1.2
176.07100	1.7
177.05420	3.3
181.12241	34.1
195.06548	1.3
197.13368	1.2
199.13283	3.2
199.14958	1.4
212.15538	1.5
213.16441	1.1
219.21053	1.6
237.14845	4.4
254.87820	1.0
255.06560	2.0
255.10226	3.3
255.15886	81.6
255.21056	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	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
51.10063	1.2
51.85374	1.2
53.03930	4.1
55.01849	4.2
55.05512	24.7
56.96535	1.9
57.03436	48.4
57.07051	5.4
65.03909	1.4
67.05505	80.9
69.03406	2.9
69.07070	25.5
71.01314	5.2
71.05000	8.1
71.08590	1.5
72.82282	1.7
79.05493	70.5
81.03419	10.5
81.07055	38.0
83.04979	21.5
83.08620	7.9
85.02885	2.0
85.06548	6.9
91.05478	26.9
93.07043	75.3
95.04963	10.0
95.08603	17.4
97.06532	22.4
97.10178	15.8
98.20808	4.1
98.98470	14.7
99.08040	5.4
105.04482	2.1
105.06992	5.4
107.04907	4.1
107.08601	54.5
109.06483	3.1
109.10148	12.7
111.08036	2.6
117.07004	7.8
119.08586	13.4
121.06422	2.8
121.10142	13.7
125.09620	3.2
128.06183	2.0
129.06963	1.9
130.07703	2.0
131.08510	1.7
133.10146	7.8
135.11690	100.0
137.09579	2.9
143.08492	4.0
145.10120	15.5
149.13208	1.6
153.12665	4.3
157.10136	2.8
163.11165	17.7
181.12247	16.9
197.13124	2.3
199.13309	2.1
213.16252	2.3
255.10054	2.6
255.15765	84.4
255.20706	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62709	0.2
55.01871	1.7
57.03440	3.4
59.04996	0.3
61.02915	0.6
69.03420	1.2
70.23387	1.0
71.01352	0.7
73.02921	2.1
78.03442	1.2
80.05016	1.7
85.02905	2.4
87.04468	0.5
97.02892	0.8
103.03972	0.3
106.02919	6.1
115.03943	1.1
119.01986	0.3
123.05556	100.0
124.03983	1.3
124.05919	0.4
127.35694	0.3
133.04976	2.9
166.80836	0.2
228.43849	0.2
240.74873	0.2
248.97112	0.2
255.00616	0.5
255.03903	0.3
255.06334	0.9
255.09624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36429	0.3
53.66686	0.3
55.01875	1.8
55.05499	0.3
56.96556	0.4
57.03438	3.3
59.04980	0.3
61.02928	2.3
61.87287	0.2
69.03436	2.6
69.07064	0.3
70.34184	1.1
71.01344	0.9
73.02917	2.1
78.03461	1.1
80.05018	2.5
85.02909	2.7
86.09712	2.4
87.04486	0.5
91.05455	0.6
91.61665	0.2
96.04510	0.6
97.02896	1.8
97.06528	0.3
97.91232	0.3
98.21544	0.3
98.97572	2.0
99.04442	0.5
100.02490	0.6
101.00882	2.8
103.03958	0.5
106.02916	6.4
113.00838	0.3
114.04009	0.3
115.02478	0.3
115.03921	1.2
116.98657	0.5
118.03516	0.6
119.01923	4.3
119.04925	0.7
123.05557	100.0
124.03938	0.5
124.05897	0.3
127.03935	0.4
131.01920	0.4
133.03470	0.6
133.04982	2.5
137.02977	0.9
143.01953	1.5
144.99780	0.4
145.03485	0.4
147.04346	0.4
152.04988	0.4
155.01898	0.4
157.03421	0.3
158.99728	0.4
161.02962	1.0
161.05568	0.6
163.96727	0.3
171.02495	0.4
173.55362	0.3
175.04634	0.3
177.00832	0.3
185.51146	0.3
186.09749	1.6
189.03668	0.6
189.05589	0.9
190.05783	0.4
197.02957	0.4
197.06602	0.4
205.05498	0.3
213.03696	1.2
214.09262	2.4
215.87268	0.3
219.02014	0.4
232.10332	6.3
237.06197	0.5
243.05418	0.6
243.55463	0.6
244.05446	0.4
255.01941	0.5
255.04347	0.3
255.06673	0.7
273.03174	0.4
273.08337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.4
55.22401	0.5
57.03445	3.2
61.02920	1.2
63.04577	0.4
68.05847	0.4
69.03436	2.6
70.92661	0.9
71.01360	0.8
73.02927	2.7
78.03446	0.7
79.05472	0.4
80.05030	2.2
85.02911	2.8
87.04443	0.7
91.12820	0.5
95.08596	0.4
96.04542	0.6
97.02904	1.4
98.98487	2.1
100.02479	0.5
101.00886	0.9
106.02922	5.9
106.67242	0.5
110.07150	0.6
115.03956	1.3
119.01916	1.4
123.05560	100.0
124.03981	0.7
131.01886	0.5
133.04980	2.7
143.01900	1.3
144.99850	0.6
145.03470	0.7
145.05048	0.4
156.97484	0.7
157.03496	0.6
161.02986	0.7
170.99052	0.7
174.04443	0.7
185.03123	0.6
189.00146	0.6
205.55779	0.7
206.05530	0.5
213.00230	0.9
243.05357	0.8
255.06328	3.7
256.03085	0.8
271.06442	0.4
274.04111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42287	1.4
60.68071	1.1
61.02929	6.2
64.84758	1.3
70.68784	2.9
71.01358	7.2
72.44032	1.2
74.69761	1.1
75.04099	1.8
75.04479	15.7
87.04464	2.5
89.02390	2.5
90.39487	1.2
98.97588	9.6
103.03947	19.9
111.95667	1.4
116.98611	1.8
117.58724	1.3
122.19869	1.2
131.03400	5.4
143.07219	1.4
147.04347	2.0
147.69711	1.3
153.31769	1.4
158.99625	3.9
159.02901	42.0
161.13751	1.2
177.00835	1.7
182.45039	1.4
187.02438	3.1
189.05579	2.8
207.06529	3.5
213.04189	2.2
219.05009	100.0
222.04605	2.0
225.77625	1.4
254.14081	2.0
254.17284	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Elongatol E
Peak:m/z	Relative Intensity
53.03960	1.1
55.01888	0.8
55.05531	3.3
56.96583	3.0
57.03456	1.5
57.07087	1.5
65.94933	0.6
67.05507	6.9
69.03430	6.1
69.07079	4.1
71.05022	2.0
71.54706	0.8
78.82519	0.6
79.05522	2.7
81.03444	1.3
81.07058	11.8
83.04988	1.7
83.08656	1.3
85.02917	1.2
85.06555	1.3
88.79890	0.7
91.05482	4.0
93.07054	9.3
95.05004	1.9
95.08620	7.0
97.02941	2.6
97.06567	1.9
97.10176	0.8
98.97596	3.3
98.98473	30.6
99.04514	1.2
99.08141	0.6
105.07034	12.4
107.08613	9.9
109.06541	3.1
109.10175	4.3
111.08141	1.7
112.99162	1.4
116.98702	0.9
116.99548	0.8
117.07068	1.7
119.08588	14.9
119.09369	1.0
121.02898	1.4
121.06548	2.6
121.10161	7.1
123.08070	6.2
123.11688	1.1
125.09663	1.4
129.07027	1.0
131.00172	1.1
131.08572	6.0
133.10132	17.3
135.08064	4.6
135.11696	7.2
137.09654	3.1
139.11264	1.0
141.05476	0.9
142.07790	1.5
143.08603	3.1
144.54672	0.7
145.10165	4.1
145.11159	0.7
147.08081	2.2
147.11710	6.9
149.01263	1.5
149.09641	3.5
149.13292	1.7
151.11237	1.5
157.10152	5.5
158.99736	0.9
159.11690	7.1
160.08899	0.8
161.09663	5.5
161.13284	2.4
162.10347	0.7
163.11221	5.6
163.14873	1.3
171.06804	1.0
171.11641	1.4
171.56927	3.0
173.09592	1.6
173.13271	1.7
174.10417	1.0
175.11214	8.2
175.14816	4.9
177.12755	58.7
180.07190	1.1
180.57487	2.6
187.11151	1.0
187.14828	1.4
188.12012	1.0
189.12790	1.9
189.16428	2.9
199.14830	2.9
204.15103	8.6
205.15872	10.3
207.07848	1.6
207.17346	0.9
216.08260	1.0
217.15871	9.7
232.09599	1.0
235.16937	100.0
252.59515	5.4
253.17993	71.0
262.89685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03951	1.4
54.29020	0.6
55.01870	7.1
55.05508	3.7
57.03431	1.8
57.07067	1.8
67.05503	25.5
69.03413	2.4
69.07069	7.4
69.91933	0.7
71.04978	2.5
71.55832	0.9
75.84898	0.7
79.05493	11.3
81.03416	3.6
81.06601	1.3
81.07057	25.1
83.04983	5.5
83.08611	2.5
85.06535	4.4
91.05479	22.0
93.07040	9.4
95.04958	3.1
95.08599	3.3
97.06523	1.5
97.10183	0.7
97.40595	0.8
98.98468	46.5
99.04458	1.3
101.05981	0.9
105.07035	17.6
107.04948	1.5
107.07872	1.3
107.08588	15.4
109.06507	2.8
109.10159	30.9
110.90814	0.7
113.05984	1.9
117.07007	1.0
119.08605	1.7
121.10149	0.8
123.08065	1.2
123.11697	5.9
127.07526	2.2
131.08556	1.4
131.31836	0.7
133.10130	36.1
140.01060	0.9
151.11183	19.5
161.09537	1.7
169.12230	2.9
170.95668	0.7
174.99271	1.2
176.98943	1.2
179.10558	0.9
181.68039	0.9
183.78389	0.7
197.11620	1.2
230.37561	0.7
253.14342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
54.64867	0.7
55.01886	1.1
55.05518	6.1
56.96557	3.5
57.03424	3.2
57.07066	1.5
60.04513	2.1
61.02915	3.6
67.05508	1.6
69.03429	8.5
69.07069	2.0
70.06586	2.7
71.04996	1.6
71.53770	0.8
72.08156	1.7
73.02922	1.2
73.06559	26.6
79.05495	1.3
81.03414	3.2
81.07062	1.8
83.04977	0.9
84.04531	1.3
84.08150	4.0
85.02908	40.8
86.09706	3.3
87.04472	1.5
91.03970	2.1
91.05480	3.9
93.07035	2.7
93.16366	0.7
95.04958	1.3
95.08613	1.7
97.02892	10.6
98.97561	5.7
98.98470	78.2
99.04459	2.4
100.98862	1.0
103.03896	0.8
103.05459	4.9
105.07018	1.4
106.05064	1.5
107.08690	0.7
109.02860	4.4
109.06533	1.0
109.10162	1.2
110.07165	5.3
112.07603	1.8
116.98618	3.5
116.99431	1.3
118.06556	1.5
119.04950	2.8
119.08580	1.1
120.08107	100.0
121.06515	0.8
121.07601	0.8
123.04422	1.0
124.86349	0.8
127.03907	8.9
129.10237	1.3
129.13657	0.8
136.07565	3.0
137.05946	0.8
145.04956	10.0
147.04385	2.6
150.05528	2.7
158.99678	2.4
162.05528	0.9
163.06065	1.7
166.08556	0.9
174.99245	2.8
176.98958	3.1
177.00723	2.0
182.08183	1.3
189.05469	3.0
194.09245	3.2
195.11313	1.8
197.11777	3.0
206.98808	1.3
207.06543	1.6
207.11372	0.9
209.00630	0.8
209.07806	1.1
212.07695	4.1
227.01697	0.9
230.08794	2.2
235.11861	1.2
253.06693	9.9
253.12016	7.6
253.15489	1.1
254.13806	1.1
254.16220	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01875	1.9
55.05512	8.0
56.96565	1.3
57.03442	5.2
59.05000	0.9
61.02930	8.9
64.95261	0.5
67.05512	1.1
69.03432	19.1
69.47869	2.4
69.48299	1.8
70.98173	0.6
71.01359	1.0
71.04996	1.6
71.28433	0.6
72.08159	0.6
73.02922	3.7
73.06560	57.2
73.44218	0.6
79.05504	0.9
81.03430	6.0
81.07053	1.6
83.04999	0.7
83.29916	0.6
84.04507	1.7
84.08155	2.5
84.56386	0.6
85.02909	100.0
86.09692	0.9
87.04462	1.8
91.03969	4.3
91.05464	1.4
91.07610	1.6
95.04980	0.7
95.08620	1.2
97.02901	25.2
97.03535	1.3
98.97627	2.1
98.98472	41.9
99.04462	3.9
101.02380	0.6
102.96882	2.2
103.03941	1.5
107.05013	0.8
109.02885	9.7
109.10136	0.8
110.07211	0.8
110.97590	0.6
115.03923	1.4
120.08136	1.5
120.97932	0.8
123.05527	0.6
125.42927	0.7
127.03928	21.9
129.10243	1.0
139.03923	1.2
141.05486	0.9
145.01723	0.6
145.04971	27.0
147.04373	0.8
153.10190	0.6
158.99690	0.9
162.05511	0.7
162.98975	0.5
163.05971	3.9
174.99283	1.7
176.98962	1.5
177.00667	1.1
181.00063	0.7
189.05644	0.6
192.57285	0.6
193.05058	0.6
194.09239	1.4
197.11710	1.3
207.06610	0.9
219.04951	1.1
253.06697	1.1
253.12939	1.2
253.15675	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	253.1185
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
55.05512	1.0
56.96561	2.6
57.03434	1.6
57.07080	1.5
59.71424	0.7
60.04531	66.0
61.02924	1.4
67.05505	1.9
69.03435	4.0
69.07057	1.8
69.88718	0.6
70.02959	1.1
70.06593	0.8
71.01337	1.0
71.05001	1.1
71.54437	1.0
73.06548	4.5
75.04461	0.7
77.14169	0.6
79.05479	1.4
81.03417	1.0
81.04544	4.5
81.07053	1.9
84.04527	1.4
84.08152	4.3
84.96044	0.8
85.02905	8.1
86.09708	3.5
87.05590	2.3
91.05502	2.0
93.07069	1.6
95.04948	0.9
95.08614	1.6
97.02898	3.2
98.97591	4.0
98.98473	73.5
99.04458	1.1
100.98882	0.8
103.03951	1.1
103.05470	3.0
104.10787	1.1
105.07019	1.4
107.04961	1.3
109.02856	0.9
109.10202	0.9
110.07159	2.0
115.05463	0.7
116.98633	2.5
116.99467	1.1
120.08112	100.0
121.06522	0.6
122.07182	4.2
124.08730	6.4
127.03926	2.5
128.98610	0.8
129.10210	0.8
131.04938	2.6
134.09685	0.6
135.04448	1.0
141.05466	1.3
142.57066	0.8
144.08044	2.2
145.02737	0.6
145.04974	2.2
147.04440	1.2
149.05972	2.1
158.99690	1.3
159.02917	2.9
162.09152	2.7
166.08652	68.6
174.99234	2.1
175.04170	0.9
176.98965	2.6
177.00615	1.3
177.05437	0.8
189.05508	1.1
194.95403	0.6
197.11818	2.5
207.06599	1.4
207.11299	17.4
219.05009	8.7
222.04539	0.7
225.17088	4.0
232.06000	1.6
235.10866	5.1
235.15298	0.8
241.06619	1.1
253.06927	3.4
253.11877	18.0
253.16470	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	251.1641
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03941	1.8
55.05505	8.6
56.96552	2.0
57.07081	7.2
59.04996	7.2
66.46906	1.7
67.05504	9.7
69.03436	9.1
69.07051	6.7
70.70173	2.0
70.70523	3.4
71.04607	2.5
71.04990	40.1
71.08596	2.2
73.07963	1.3
75.04499	1.7
79.05488	9.3
79.93831	1.2
81.03417	2.5
81.07051	12.5
83.04980	9.0
83.08611	9.4
84.99990	1.5
85.02889	2.5
85.06548	9.0
91.05479	11.8
93.07031	14.0
95.04955	13.0
95.08614	14.9
97.06515	13.8
98.97541	3.1
98.98463	100.0
99.04475	3.7
99.08052	1.6
101.84716	1.5
105.07036	11.9
107.04939	6.5
107.08595	16.1
109.06503	7.8
109.10155	12.8
111.08089	7.3
113.05997	9.8
115.07618	2.5
117.07021	4.5
119.07716	1.6
119.08576	30.0
121.06473	5.8
121.10136	33.3
122.07259	1.8
123.08101	8.3
123.11693	4.6
125.06006	16.0
125.09595	2.0
127.07582	1.7
129.06987	2.6
131.08556	8.7
133.10100	7.2
135.08035	4.0
135.11694	7.5
136.08817	1.7
137.05954	1.6
137.09616	38.4
143.08528	1.8
145.06487	2.6
145.10127	15.7
147.08043	57.1
147.11710	13.9
149.09639	14.2
149.13251	2.6
151.07561	4.4
151.11128	3.1
151.14807	2.4
153.09134	2.9
155.10660	3.4
157.10103	3.7
158.10963	1.4
159.08061	2.4
159.11743	2.0
161.09599	2.2
163.07527	1.7
163.11177	44.2
163.14777	2.7
165.09122	4.5
167.10739	1.6
169.09952	1.6
171.11754	1.8
173.09529	3.3
173.13286	5.5
174.99205	4.1
175.11195	11.3
177.09096	3.4
179.14308	16.2
181.12248	10.2
187.14775	6.9
191.14279	6.8
193.12263	5.2
195.10188	2.9
196.08661	1.5
205.15865	5.3
205.23438	1.4
207.13809	6.3
207.99174	1.5
215.14215	9.6
217.09277	2.1
219.06493	4.2
230.08034	6.5
233.11833	2.1
233.15363	47.8
239.08493	2.0
251.06931	1.8
251.08980	2.1
251.12798	15.2
251.16406	76.5
269.45535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03943	3.3
55.01869	2.3
55.05514	8.2
56.96552	3.0
57.03415	1.4
57.07048	1.1
59.05000	1.0
65.03933	1.5
65.78617	0.9
67.05508	24.1
69.07073	7.4
69.54932	5.4
71.04987	2.6
73.06526	0.8
79.05495	23.9
81.03436	3.9
81.06593	1.6
81.07059	29.6
83.04971	3.4
83.08616	1.8
89.13856	0.8
91.05483	35.8
93.07049	17.8
95.04975	7.4
95.08614	13.3
97.06529	2.5
97.10163	1.5
98.98471	100.0
103.05447	2.5
105.04554	1.0
105.07028	29.3
106.38356	0.8
107.04965	11.4
107.08600	6.4
109.06528	7.7
109.10127	5.6
111.08101	1.3
115.05427	1.5
116.99487	1.6
117.07034	11.6
119.08586	21.9
121.06538	4.1
121.10149	4.0
123.08026	1.3
123.11722	1.5
128.06241	1.0
129.07019	5.0
131.08577	20.0
133.06503	2.0
133.10110	6.1
135.08032	3.5
135.11682	1.6
137.09601	1.6
140.01099	1.0
141.06996	2.2
143.08548	1.9
145.10130	8.7
147.08008	2.9
147.11723	1.3
149.01233	1.4
149.09631	2.0
155.08531	2.7
159.11694	3.3
161.13260	1.0
161.17673	0.8
163.11057	0.8
165.06844	1.1
167.35741	1.0
169.10106	1.8
171.11696	4.8
173.13297	6.9
174.99295	4.0
183.75078	0.8
187.11197	1.2
187.14859	4.8
187.16316	0.8
189.05458	1.0
197.13292	4.2
205.15874	3.2
213.07947	1.0
215.14336	4.1
220.73506	0.8
233.15369	24.3
251.16435	7.5
251.20285	2.0
269.10516	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0915
Annotation	Nigrolineabenzopyran A
Peak:m/z	Relative Intensity
53.03954	1.1
56.96585	0.5
71.29041	0.7
75.04482	34.8
77.03915	0.9
79.05488	3.4
90.04717	0.8
91.05485	2.7
91.32554	0.5
93.07033	0.9
95.04987	1.6
98.98468	4.8
103.05457	5.8
105.07024	2.1
107.04939	0.5
107.08565	0.6
117.07051	0.5
118.04148	1.0
119.04923	0.7
119.08587	1.2
120.05695	1.0
128.32356	0.5
131.00148	0.9
131.01152	0.6
131.04929	8.1
132.05736	3.1
133.02841	1.2
133.06467	0.8
135.08032	1.7
145.02840	1.5
146.03644	3.2
147.04381	1.1
147.11601	0.7
148.05180	3.2
149.01231	0.7
149.06091	0.7
159.04422	21.5
161.02345	1.6
161.05984	2.9
163.07529	5.3
175.03944	0.9
176.04651	2.7
177.05478	3.0
187.03902	0.9
189.01868	1.1
189.05388	1.2
191.03406	14.9
191.07042	8.2
203.03302	0.5
204.02281	0.8
204.04195	14.4
206.05721	5.1
217.04912	0.7
219.06528	100.0
223.09520	0.6
245.59230	0.5
251.08923	8.0
251.16496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0914
Annotation	Nigrolineabenzopyran A
Peak:m/z	Relative Intensity
50.55347	0.4
51.89729	0.3
53.03930	1.1
65.03918	0.5
67.05502	1.8
69.07063	0.5
69.33408	0.4
71.05004	0.6
75.04483	32.7
76.17871	0.3
77.03918	0.9
79.05498	4.7
81.03419	0.6
81.07043	1.4
90.04720	0.5
91.05471	3.3
93.07024	1.2
95.04957	1.7
95.08581	0.9
98.98470	40.1
103.05470	5.6
104.06225	0.7
105.03399	0.8
105.04519	0.5
105.07034	2.3
107.04932	0.9
107.08588	0.6
109.10109	0.5
116.99479	0.9
117.07043	0.9
118.04137	0.9
119.04961	0.8
119.08566	1.7
120.05711	0.7
121.02836	0.6
131.04930	7.5
131.08559	0.7
132.05710	3.4
133.02850	0.8
133.06500	1.4
133.10101	0.8
135.08081	2.1
135.11673	0.6
140.01086	0.5
144.02057	0.4
145.02826	1.4
146.03632	4.0
147.04378	0.9
148.05199	4.0
149.05922	0.5
159.04419	21.7
159.11668	0.6
159.30814	0.4
161.02298	2.1
161.05992	4.4
163.07542	4.9
163.11089	0.5
174.99208	2.2
175.03952	0.9
176.04747	3.3
177.05414	3.4
178.07765	0.4
189.01830	1.4
189.05429	1.3
189.06911	0.8
190.07788	0.9
191.03407	15.1
191.07001	9.3
191.08568	15.6
192.09344	0.7
194.05701	0.4
196.64360	0.4
203.03296	0.5
204.04189	12.9
206.05737	4.3
217.05035	1.0
219.06516	100.0
223.09540	0.4
233.11615	0.4
233.15244	0.8
251.08958	3.1
251.10764	3.6
251.16101	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	251.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
55.01860	3.6
55.05510	1.7
59.04988	1.0
67.05505	2.2
69.03436	1.3
69.07059	1.6
69.82391	1.7
69.82780	3.8
75.04483	51.1
79.05501	7.3
79.10945	0.8
81.03416	1.7
81.07044	3.3
83.08599	0.8
85.02856	0.8
85.30749	0.7
91.05489	10.4
92.06229	1.4
93.07038	2.8
95.04948	1.9
95.08598	3.0
98.21526	1.2
98.98471	64.5
103.05468	30.2
105.03381	2.2
105.07025	12.5
107.04932	1.0
107.08572	2.7
109.06520	1.1
109.10145	1.0
115.05477	1.4
116.99549	1.1
117.07008	2.1
118.04134	1.8
119.01159	0.8
119.04948	5.7
119.08569	1.9
120.05729	8.7
121.06509	5.9
121.10159	1.7
129.06985	1.1
131.04953	8.2
131.08511	1.7
132.05717	1.6
133.02843	3.2
133.06496	9.4
133.10158	1.1
135.08055	15.2
144.02072	3.4
145.02843	1.9
145.06487	1.2
145.10115	1.3
146.03667	1.6
147.04408	3.0
147.11676	1.2
148.05196	68.9
149.05971	0.8
149.09634	0.9
152.04700	10.6
153.05444	0.9
159.04422	55.2
161.02350	2.1
161.06007	4.4
162.03098	1.6
163.07550	71.5
171.83141	0.8
173.05957	1.0
173.09698	1.0
174.99228	3.8
175.03891	1.5
176.04715	8.0
177.05489	1.1
181.04979	0.8
187.14844	1.0
189.01888	6.3
191.07037	100.0
202.82420	0.9
203.03438	6.1
204.04218	7.5
219.06528	50.7
223.09633	10.2
233.11752	1.9
233.15283	1.8
247.35089	0.8
251.05260	1.3
251.09059	2.9
251.12762	9.1
251.16415	2.6
251.20079	1.3
259.79962	1.0
269.12457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.01864	0.7
57.03427	1.4
58.99863	2.4
61.02925	1.6
62.98251	1.1
66.01957	0.5
69.03443	3.3
70.06535	0.4
70.99846	2.2
71.05016	0.7
71.54234	1.0
73.01424	0.8
73.02899	1.5
73.73011	0.5
77.00899	0.8
79.05491	0.6
81.03419	1.5
82.01449	21.6
82.01931	1.3
83.05011	0.8
84.08100	0.9
85.02914	4.1
86.03204	0.6
86.99382	0.4
87.04459	0.7
89.00894	1.0
89.01654	0.4
91.02448	1.7
91.05481	1.3
93.78544	0.5
95.08604	0.7
97.02893	2.9
98.98475	20.5
99.04443	0.9
99.05072	0.5
100.02489	40.6
101.00883	4.3
103.00645	1.2
105.07027	0.9
107.08589	0.5
108.96055	0.5
109.03516	0.5
110.07161	0.6
111.02937	0.7
112.00967	0.5
113.00851	0.6
115.02402	1.1
117.03978	0.8
118.03538	11.6
119.01936	8.7
120.01955	0.6
121.01688	3.2
126.98787	8.7
127.03927	1.2
131.01901	1.5
132.01933	0.7
133.01521	0.5
133.03477	1.5
135.03259	0.7
136.97189	0.6
137.02975	0.7
139.02654	0.5
139.04216	1.1
141.53304	0.9
143.01910	2.0
144.99835	23.1
145.01620	1.0
145.03464	2.2
145.05013	0.6
147.00266	0.6
147.01410	1.1
147.03337	0.6
148.04739	0.8
150.00301	2.7
153.04022	0.7
154.98222	4.1
157.03452	3.5
159.01398	2.3
159.03055	0.5
161.01033	0.6
161.02968	1.9
161.05545	2.9
161.55696	0.6
163.00899	1.6
163.02748	2.0
168.01442	13.5
170.06044	1.8
171.05069	0.6
172.01373	0.6
172.99336	37.2
173.99489	0.6
174.99338	1.3
175.04527	2.0
176.93518	1.3
177.02458	5.7
177.99788	4.7
178.01056	0.5
179.02296	0.5
184.05820	1.8
186.02724	0.6
187.00905	4.5
189.02451	0.7
189.05423	0.8
189.12238	0.5
191.00412	17.4
191.02081	1.3
196.00935	100.0
197.01160	0.7
200.04100	1.1
204.53148	0.7
205.01880	6.2
205.05641	1.6
205.55562	0.5
207.03467	0.6
210.02464	3.3
214.01979	34.2
217.02191	0.6
219.02419	3.1
219.07141	1.2
223.03001	2.1
223.06633	3.3
225.06348	0.6
228.03539	47.6
233.01363	0.6
241.54913	0.7
242.04987	1.2
246.04639	5.8
250.55470	6.0
251.02429	1.4
251.05643	10.0
251.11185	0.6
251.13745	1.1
251.16129	0.9
265.07712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67624	0.8
56.70126	0.8
56.95141	0.9
56.96581	0.8
58.99848	2.3
59.04996	0.9
61.02921	2.2
69.03419	2.5
69.22676	9.4
70.99847	2.3
75.17754	0.9
75.85733	0.9
77.00904	1.3
81.03422	1.1
82.01449	21.6
84.08140	1.3
85.02908	5.1
85.03326	0.9
89.00908	1.4
91.05470	1.6
93.96486	1.0
97.02877	2.4
98.21465	1.9
98.98473	62.2
100.02488	47.3
101.00900	2.3
103.00642	1.4
103.02393	1.2
109.12015	0.8
110.15942	1.0
116.99480	1.0
118.03521	13.8
119.01920	6.0
119.04908	1.5
121.01670	3.4
125.90349	0.8
126.98798	8.4
127.03927	1.8
133.03450	1.8
137.02930	1.8
143.01869	2.3
144.99837	21.4
145.03487	2.1
145.04892	0.9
147.01361	2.1
147.03244	1.3
147.04340	1.5
150.00394	2.3
154.98257	4.6
157.03534	1.7
161.02954	2.7
163.00932	1.9
168.01463	12.6
172.99330	40.4
174.99258	3.2
175.00743	1.1
175.04507	2.4
176.93576	2.4
177.02457	4.1
177.99825	4.8
184.05841	1.4
187.00870	6.0
189.05524	1.3
190.98917	1.5
191.00438	17.5
196.00929	100.0
197.01172	1.5
205.01866	5.3
210.02525	4.2
214.01976	39.8
219.02513	4.6
223.06592	2.3
225.06305	1.2
228.03531	49.5
242.04897	1.2
246.04681	4.8
250.55312	2.2
251.05634	5.7
251.13763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1802
Annotation	Nupharidine
Peak:m/z	Relative Intensity
53.03938	1.2
55.01875	1.1
55.05513	1.7
57.03445	0.8
67.05507	3.0
68.05025	1.4
69.07059	3.4
70.06591	1.1
71.47358	0.8
71.55592	1.1
79.05508	2.3
79.67123	0.8
81.07051	4.2
84.08122	0.8
85.06538	1.0
87.15789	0.8
91.05482	5.0
93.07046	3.4
95.04964	1.2
95.08588	4.1
96.08135	23.0
96.08762	1.1
97.06538	5.1
98.97583	0.8
98.98461	3.9
100.07635	1.3
105.07041	3.0
107.08605	3.7
108.08131	2.8
109.08942	0.9
109.10153	6.3
110.09648	1.2
112.07561	1.7
114.09185	1.7
116.90157	0.8
117.07047	1.2
119.07341	1.4
119.08624	2.3
121.06520	2.0
121.10141	2.1
122.06040	2.1
122.09676	6.3
123.08067	1.0
123.11703	1.6
124.07627	0.7
124.11239	1.5
131.08575	2.0
133.10115	5.0
134.09659	100.0
135.08096	2.4
135.11670	1.8
136.11214	1.9
137.09613	8.2
138.09120	0.9
145.10133	1.8
147.11685	4.5
148.11234	1.5
149.13284	4.6
152.10704	0.9
154.12276	3.3
158.10896	0.9
159.08130	0.9
159.11726	1.4
160.11182	1.5
161.09569	0.9
162.12790	2.7
163.11159	0.9
163.14850	0.9
165.87207	0.8
166.12289	5.0
173.13271	4.3
174.12914	0.9
175.11168	1.1
177.12682	1.0
190.15916	6.4
191.14301	14.4
192.13905	1.3
208.16927	5.7
215.14401	0.9
232.17064	5.2
233.15350	3.4
250.11314	2.5
250.18040	83.3
251.18748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1801
Annotation	Nupharidine
Peak:m/z	Relative Intensity
53.03959	0.8
57.03442	1.4
67.05510	3.7
68.05026	2.3
69.03463	0.7
69.07072	3.8
69.82490	0.7
70.06602	1.3
70.78537	1.7
70.78892	0.8
78.28723	0.7
79.05492	2.3
79.40857	0.6
81.07065	4.0
83.04996	1.1
83.08645	0.7
85.06559	1.4
85.15907	0.6
87.16854	0.7
91.05496	4.4
92.22514	0.7
92.26801	0.7
93.07066	3.7
95.04995	2.4
95.08604	3.7
96.08134	21.4
97.06538	4.9
98.98479	3.7
99.08103	1.3
100.07587	0.7
102.96169	0.7
105.07030	2.3
107.08631	3.8
108.08134	2.4
109.08938	0.8
109.10172	6.0
110.09669	1.5
111.08022	0.8
112.07629	1.4
114.09172	2.6
117.07047	1.6
119.07359	1.3
119.08595	2.9
121.06532	2.1
121.10152	2.2
122.06013	1.8
122.09672	7.7
123.08062	1.3
123.11727	1.8
124.07632	1.7
124.11246	0.8
131.08594	2.1
133.10152	5.3
134.09662	100.0
135.08075	2.0
135.11676	1.0
136.06206	0.8
136.11237	1.6
137.09622	8.8
143.08658	0.8
145.10159	1.5
147.10577	1.0
147.11623	3.4
148.11208	2.3
149.09648	0.9
149.13245	4.0
154.12288	3.5
157.10114	0.8
158.10915	1.0
159.11719	1.7
160.08345	0.9
160.11241	1.6
161.09676	1.2
162.12764	2.1
163.14845	1.1
166.12276	5.2
173.13286	4.5
174.12842	0.8
175.11169	0.9
177.09140	1.1
177.12769	1.8
190.15935	7.6
191.14319	14.0
192.13852	1.5
208.16928	4.0
215.14230	0.8
232.17015	6.9
233.15369	3.0
250.11308	3.3
250.18036	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66120	0.2
55.01860	0.3
55.05514	0.3
56.96571	0.8
57.03458	0.3
57.07723	0.2
67.05503	0.3
69.03419	0.4
69.07071	2.9
70.71965	0.5
73.06531	0.6
79.05490	1.1
81.07058	0.5
85.02905	0.7
91.05515	0.3
93.07059	0.2
94.04032	0.7
95.04958	0.3
97.02900	0.4
97.06535	2.8
98.97593	2.6
98.98463	0.6
107.04963	5.4
107.45786	0.3
108.05251	0.3
109.05169	0.3
110.97559	0.5
116.98611	0.5
119.03561	1.5
120.08135	1.4
127.03812	0.3
128.98613	0.5
136.06189	89.0
137.02307	0.3
137.04597	0.4
148.04805	0.3
149.06946	0.4
152.05676	3.8
153.04060	0.4
155.89882	0.3
158.99632	0.9
170.99637	0.3
174.07738	1.1
182.99574	0.3
189.00667	0.5
189.05400	0.3
195.36560	0.3
206.08444	0.3
208.55069	0.4
232.11867	0.4
249.02795	0.4
250.13002	100.0
251.13206	0.4
274.34009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.4
55.05506	0.5
56.96554	0.5
57.03434	0.8
58.62683	0.3
59.01741	0.3
61.02925	0.7
61.77606	0.3
64.48657	0.3
67.08767	0.3
69.03431	2.3
69.07081	0.4
69.86627	0.7
69.87030	0.9
70.06599	2.1
71.05004	0.4
72.08167	0.4
73.02908	0.5
76.79465	0.3
79.05484	0.3
81.03415	0.9
85.02374	0.4
85.02906	14.1
88.07633	100.0
91.05437	0.4
97.02903	2.9
97.06531	0.8
98.97580	0.5
98.98462	2.1
99.04492	0.5
109.02874	1.4
119.04935	0.3
119.08625	0.3
127.03920	2.2
135.04492	0.5
136.06187	11.4
145.04999	1.3
147.04401	0.4
163.03961	0.4
163.06024	0.4
177.07874	0.5
186.02252	0.4
189.05537	0.4
204.13904	0.9
206.11758	1.5
232.72008	0.3
250.10693	0.6
250.12862	8.9
250.21925	0.4
266.97733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
55.05513	9.6
57.03436	0.6
57.07080	1.8
66.86927	0.6
67.05511	4.4
69.07070	4.3
71.08619	0.6
73.12868	0.6
79.05481	3.2
81.07056	5.3
83.08617	4.3
85.02900	0.8
91.05493	4.2
93.07047	7.1
95.08616	14.7
97.10181	2.7
105.07022	8.1
107.08600	11.4
109.06506	0.7
109.10165	9.0
111.04473	0.6
117.07047	0.9
119.08590	18.3
121.06552	1.1
121.10157	7.6
123.11723	2.0
124.53574	0.6
125.06007	1.0
129.07103	1.5
131.08582	2.2
133.06509	0.8
133.10130	23.0
135.07977	0.6
135.11716	2.8
137.06020	0.6
137.13219	0.7
139.07559	1.4
141.06978	0.7
143.08586	0.8
143.93668	0.6
145.06531	0.7
145.10138	1.7
147.08067	2.2
147.11700	18.2
147.37285	0.6
149.09569	0.7
149.13245	1.5
151.11205	0.7
153.09120	5.6
157.06526	0.8
159.08031	2.2
159.11731	1.4
161.05946	0.7
161.09575	1.6
161.13271	9.3
163.14848	1.9
165.09103	1.5
167.10703	5.0
171.11594	0.8
175.11249	1.1
175.14812	3.0
179.10674	1.7
179.52269	0.6
181.12215	0.8
185.13287	0.6
187.07582	1.1
189.09140	1.0
193.12270	2.5
201.16435	0.8
203.17978	100.0
204.07756	0.6
204.18361	1.1
205.19528	4.1
206.25043	0.6
221.19022	7.4
224.56604	0.6
231.10320	1.5
231.13860	1.0
231.17447	3.4
249.11299	8.8
249.14856	1.2
249.18518	20.8
268.12207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Microhelenin F
Peak:m/z	Relative Intensity
50.00021	0.3
53.03939	0.6
54.17016	0.4
55.01865	0.4
55.05505	1.0
57.03435	0.6
57.07062	0.5
58.00917	0.4
59.04982	0.6
62.42084	0.4
63.16038	0.3
67.05502	0.9
67.70511	0.4
69.03422	1.5
69.07067	0.6
69.67015	0.4
69.68147	2.0
70.06584	0.4
71.04984	1.0
76.10053	0.4
79.05485	1.6
81.07043	1.7
83.04969	0.6
85.02921	0.7
85.06532	0.3
87.75761	0.3
91.05484	6.5
93.07029	1.4
95.04960	1.5
95.08598	0.9
97.02902	0.8
98.97591	1.8
99.04449	0.5
101.05943	0.4
103.05447	2.2
105.03348	0.9
105.07030	5.2
107.04966	1.5
107.08567	2.1
109.06508	0.7
109.10172	0.7
115.05460	4.9
116.06239	2.5
117.07032	2.5
119.04932	0.6
119.08551	2.1
121.06512	1.7
121.10148	0.6
123.08069	0.7
127.05463	0.5
128.06235	8.3
129.03381	3.2
129.07005	14.8
130.07777	1.1
131.04898	2.4
131.08569	15.3
132.05679	0.8
132.92548	0.5
133.06494	3.0
133.10143	1.7
134.03601	0.8
135.08052	6.5
135.11748	0.5
137.05956	0.8
141.06995	6.2
142.07785	2.9
143.04889	1.3
143.08569	3.3
144.05695	7.5
145.06508	4.6
145.10097	2.0
146.03687	0.7
146.07281	2.8
147.04378	1.1
147.08026	1.4
147.11676	0.7
149.09599	0.9
149.11575	0.8
151.03917	1.3
151.07501	0.5
151.71432	0.4
152.06183	0.7
153.05809	0.6
153.07001	2.3
155.06020	0.9
156.05707	1.0
157.06505	8.4
157.10149	0.6
158.07249	2.0
159.04401	0.8
159.08060	23.6
159.11702	0.5
160.05183	0.7
160.08798	0.7
161.02309	0.9
161.05997	4.0
161.09619	7.6
162.03107	5.1
163.11150	0.9
167.07034	0.9
169.06436	1.1
169.07626	2.6
170.07280	6.3
171.04451	1.4
171.08046	4.8
172.05191	2.7
173.05983	3.3
173.13217	0.4
174.06779	2.3
174.11589	0.7
175.07622	2.7
175.11166	0.9
177.05446	3.9
178.06252	0.6
179.10591	0.4
185.05977	0.7
185.13219	0.6
187.07538	14.4
188.08191	0.8
189.01846	3.1
189.05463	12.4
189.09079	8.2
189.12695	0.7
190.06223	1.3
191.06982	1.0
193.08655	1.2
198.06752	1.7
199.03835	0.6
199.07584	2.4
200.08305	0.6
201.05513	1.2
203.07008	5.2
203.10748	0.7
203.15530	0.6
204.07809	10.6
205.08560	1.7
205.12276	1.5
206.09373	0.9
207.02927	3.9
216.07802	2.9
217.01332	0.5
217.04849	0.5
217.08737	0.5
218.09377	1.4
219.10136	1.1
221.04463	2.5
221.08054	1.1
221.11714	2.9
231.10164	5.9
231.13914	1.4
234.08838	1.2
249.11220	100.0
249.15199	3.2
249.16742	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01872	0.4
57.03429	0.6
57.62782	0.4
65.12107	0.4
66.55724	0.3
67.05502	0.7
69.03434	1.0
69.19231	4.0
69.68495	0.5
79.05492	0.6
81.03415	0.5
81.07029	0.5
85.02869	0.5
91.05484	5.7
93.07044	0.8
95.04960	0.4
95.08649	0.4
97.02895	0.7
98.21513	1.0
98.97557	1.3
103.05483	0.8
105.07038	3.2
107.04936	1.6
107.08624	0.6
109.10204	0.5
115.05450	4.6
116.06269	2.6
116.98598	0.5
117.07038	2.1
119.08540	0.9
121.06507	0.4
123.04424	0.7
128.06227	6.9
129.07013	15.2
130.07727	1.1
131.04938	1.9
131.07610	0.8
131.08574	15.6
132.05740	0.9
133.06491	2.2
133.10130	1.5
139.05487	0.6
141.06993	6.4
142.07809	3.5
143.04959	0.8
143.08560	3.6
144.05710	7.0
145.06497	4.4
146.07259	2.6
147.04401	1.1
147.08049	0.5
149.06020	0.7
152.06195	0.7
153.06979	1.9
155.06038	1.6
156.05728	2.1
157.06499	8.0
157.10118	0.8
158.07269	1.7
159.04395	0.7
159.08063	22.1
160.05231	1.9
161.05991	5.5
161.09618	6.0
167.07108	0.7
169.06540	0.7
169.07631	2.5
170.07274	6.4
171.04451	0.8
171.08058	5.5
172.05208	2.8
173.04337	1.0
173.05986	3.5
174.06735	2.2
175.07585	2.4
178.06302	0.9
187.07559	16.5
188.08290	0.7
189.05469	2.8
189.09119	16.0
190.04918	0.5
190.06424	0.6
191.05342	1.6
191.07036	1.0
193.08557	0.6
198.06758	1.7
199.07465	2.0
201.05438	1.2
203.07030	4.2
203.10559	0.7
204.07828	10.4
205.08633	1.3
206.09412	0.8
216.07930	2.6
217.06921	3.3
217.08711	0.7
218.09453	1.0
219.10136	1.8
221.08130	0.8
221.11729	2.3
228.10193	0.8
231.10187	6.0
235.07980	5.2
237.10733	0.7
249.11237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.66127	0.4
56.96555	0.5
57.03436	0.4
67.05503	0.9
67.35308	0.4
69.03424	1.0
69.48711	2.9
71.04962	0.5
79.05485	0.6
81.03411	0.5
81.07032	0.7
85.02859	0.4
91.05491	5.1
93.07046	0.7
95.04949	0.8
95.08610	0.6
97.02892	0.9
97.06538	0.5
97.07242	0.4
98.21577	0.5
98.97571	0.8
101.72817	0.4
103.05468	0.7
104.06225	0.4
105.07048	2.8
107.04971	2.1
109.10186	0.6
115.05445	4.0
116.06232	2.9
117.07024	2.2
119.08586	1.2
121.06480	0.7
128.06229	7.4
129.07008	15.5
130.07782	0.9
131.04895	1.1
131.08572	14.5
132.05690	0.9
133.06511	2.8
133.10127	1.8
137.06009	0.6
141.06998	6.6
142.07758	3.2
143.04951	0.7
143.08563	2.2
144.05722	6.0
145.06485	3.9
146.07272	2.3
147.04388	1.3
147.08011	0.8
152.06248	0.7
153.06985	1.6
155.06006	1.0
156.05603	1.1
157.06496	7.4
157.10107	0.5
158.07324	2.0
159.08060	23.6
160.05215	1.0
160.08699	0.4
161.05991	2.8
161.09612	6.4
167.07060	0.9
169.06439	1.5
169.07639	3.2
170.07280	5.7
171.04427	1.0
171.08038	5.8
172.05176	2.8
173.05962	3.3
174.06746	2.0
175.07579	2.0
177.05518	0.5
178.06253	1.0
181.06403	0.5
184.05174	0.6
185.06026	0.7
187.07538	15.1
188.08263	0.7
189.05553	2.5
189.09097	7.3
190.06224	0.5
191.06979	0.8
198.06767	1.2
199.07442	2.3
201.05487	1.4
203.07019	4.0
203.14381	0.5
203.17935	0.5
204.07825	11.6
205.08632	1.2
206.09457	0.7
216.07846	3.2
217.04961	0.6
217.08607	1.8
218.09354	1.4
219.10141	1.6
221.08072	1.2
221.11679	2.5
231.10185	5.2
234.08865	1.0
245.02586	0.4
249.11223	100.0
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
55.01875	0.9
56.96569	0.4
62.19665	0.3
65.03920	0.5
67.05491	1.1
67.73357	0.4
69.03427	0.9
69.07047	0.6
70.72529	0.9
79.05491	0.7
81.03398	0.8
81.07030	0.8
88.23390	0.4
91.05483	4.9
93.07037	1.2
93.07613	0.4
95.08570	0.9
97.02882	0.9
98.97595	1.4
103.05487	1.0
105.03393	0.8
105.07034	2.4
107.04922	1.8
107.08546	0.5
115.05450	3.3
116.06226	2.9
117.07020	2.4
117.17940	0.4
119.04937	0.4
119.08498	0.5
121.06516	0.5
127.05383	0.4
128.06221	6.9
129.07005	14.5
131.04947	1.5
131.08562	13.9
132.05719	0.6
133.06500	2.0
133.10120	1.7
137.09615	0.5
139.05423	0.6
141.06979	7.2
142.07797	2.7
143.04929	0.7
143.08566	2.6
144.05717	6.9
145.06493	3.5
146.07269	2.5
147.04379	1.1
147.08044	1.1
152.06187	1.1
153.06970	1.0
155.06041	1.6
156.05708	1.1
157.06487	7.3
158.07292	2.3
159.04417	0.9
159.08049	22.0
160.05159	0.7
160.08662	0.4
161.05978	2.7
161.09615	6.7
167.07053	0.7
169.06462	1.4
169.07626	1.8
170.07272	5.8
171.04398	1.0
171.08049	5.2
172.05183	2.3
173.06010	2.3
174.06799	2.4
175.07567	2.1
177.05484	0.8
178.06306	0.9
185.05936	0.8
186.06798	0.7
187.07542	13.9
188.08261	1.3
189.05545	2.1
189.09096	8.0
190.06248	0.8
191.07014	1.1
192.07877	0.6
193.08665	0.4
198.06750	1.5
199.07550	2.2
200.08414	0.4
201.05527	0.9
203.07053	4.9
204.07819	10.2
205.04968	0.5
205.08560	1.5
206.09258	0.6
216.07802	3.4
217.08594	0.9
218.09392	0.9
219.10172	1.6
221.08130	0.7
221.11650	2.6
231.10143	5.3
234.08722	0.9
249.11218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
70.44442	10.8
89.48516	4.9
92.78374	4.4
95.09893	4.0
133.97169	4.2
228.86331	4.7
249.03705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0758
Annotation	5-Acetonyl-7-hydroxy-2-hydroxymethyl-chromone
Peak:m/z	Relative Intensity
53.79441	0.5
55.05527	0.5
59.05008	0.5
65.45637	0.4
67.05494	1.2
69.03433	0.9
69.07066	0.9
71.54187	0.7
74.38396	0.5
79.05494	1.4
81.03409	0.7
81.07072	1.4
85.02925	0.8
91.05510	3.6
93.07045	1.3
95.04987	1.4
95.08627	1.3
97.02903	0.9
97.06555	0.6
98.97596	1.5
103.05470	1.5
105.07044	2.3
107.08614	1.1
115.05470	7.3
116.06277	0.9
117.07031	3.7
117.31823	0.5
119.08592	1.6
121.06497	1.0
121.10159	1.1
123.11776	0.7
127.05457	2.3
128.06229	11.1
129.07013	88.8
131.08566	6.0
132.05833	0.5
133.06538	0.7
133.10161	1.3
141.07019	1.8
142.07790	1.0
143.04906	5.1
143.05870	0.5
143.08572	1.0
144.05760	1.2
145.06499	4.6
147.04430	1.2
147.08075	0.7
147.11681	1.1
155.04932	9.5
155.06093	1.7
157.06500	31.8
158.99669	1.4
159.04427	1.3
159.08040	4.7
161.05959	1.7
161.09636	1.4
161.13290	0.8
170.07285	0.7
171.04500	0.6
171.08011	0.8
172.05194	5.0
173.05992	16.2
174.06755	0.6
175.03926	1.4
175.07542	0.7
175.11273	0.5
175.14612	0.5
183.04414	2.6
185.05986	34.0
185.13293	1.6
186.06812	1.7
187.07558	33.0
189.05528	1.3
189.09128	1.9
198.09120	0.6
201.05464	12.1
203.03374	7.4
203.07149	1.1
203.14420	1.4
203.18002	1.1
204.07820	1.2
213.05476	14.9
217.08611	0.5
219.09865	0.8
231.06532	100.0
231.13849	1.2
249.07355	3.9
249.11220	13.1
249.14990	2.1
249.18556	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.19836	0.4
55.05506	1.1
57.07074	0.7
61.85424	0.4
67.05495	1.3
69.07066	4.6
69.75522	2.4
75.04476	0.8
79.05486	1.8
81.07059	2.8
83.08605	1.0
85.02910	0.8
91.05470	2.1
92.24625	0.4
92.87503	0.4
93.07033	4.0
95.04943	0.6
95.08601	4.2
98.21566	0.5
103.05498	0.4
105.07027	6.2
107.08582	5.7
109.10120	2.0
117.07028	1.8
119.08577	6.4
121.10139	1.8
127.03915	0.4
131.08548	8.1
133.10127	11.5
135.08080	0.5
137.06018	0.5
143.08565	0.5
144.09358	0.6
145.10117	19.7
146.10812	0.4
147.11694	2.6
157.10104	1.0
159.04399	0.8
159.08115	0.9
159.10446	0.7
159.11685	7.9
161.09581	0.5
161.13242	1.6
171.11621	0.6
173.09702	0.6
173.13254	5.0
175.14853	0.7
177.09077	2.2
179.10658	3.4
186.14047	1.6
189.06996	1.2
190.07709	0.6
191.08574	1.2
191.10658	1.9
201.16373	100.0
202.16675	0.6
203.17975	3.7
205.12143	0.6
219.08125	0.6
219.17404	4.3
229.15944	2.5
229.19487	0.7
247.05943	2.8
247.07735	1.8
247.16922	39.1
247.24464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03936	4.4
55.05499	5.7
65.03931	2.8
66.76584	1.2
67.05502	6.2
68.34138	1.1
69.03087	1.7
69.03439	20.2
69.07071	3.0
70.55968	3.0
70.56357	3.0
79.05479	7.9
81.07053	11.4
83.04982	17.3
83.08578	1.4
85.02872	1.4
85.06537	1.6
91.05493	14.2
93.03419	2.7
93.07037	13.0
95.04951	4.7
95.08586	4.5
97.02897	8.1
98.20825	1.5
103.05441	2.8
105.07034	15.3
107.04961	2.9
107.08602	13.5
109.02876	17.8
109.06512	14.2
109.10175	6.8
111.04441	5.2
115.05460	3.7
117.07021	8.5
119.08574	18.0
121.02882	3.7
121.06509	15.9
121.10134	6.5
123.04447	1.4
123.08028	2.1
127.03909	1.3
128.06201	3.3
129.07001	5.5
131.04921	1.4
131.08574	18.0
131.45166	1.4
133.06523	1.6
133.10147	11.9
135.04387	2.2
135.08063	24.5
137.05959	8.7
137.09615	2.7
139.03902	2.6
141.06995	2.2
142.07751	4.2
143.08563	10.5
144.09366	9.7
145.06490	8.3
145.10129	15.3
147.08051	4.5
149.09634	19.9
150.10417	5.0
151.11201	3.5
151.63464	1.3
155.08557	4.6
157.06584	1.9
157.10120	3.4
158.07289	2.5
158.10924	11.1
159.08087	9.2
159.11702	27.3
160.08865	2.2
161.09610	3.6
161.13135	1.4
163.03902	3.0
163.07564	20.4
163.11226	3.2
165.09105	2.6
168.09355	4.5
169.10130	2.8
170.10880	3.8
171.08083	3.9
171.11755	1.7
172.08806	13.3
173.09645	24.2
173.11769	2.5
173.13255	37.0
175.07613	1.9
175.11137	1.5
181.06479	1.9
183.11740	10.2
185.09608	1.8
185.13202	3.2
186.10417	24.9
187.07526	3.9
187.11183	100.0
189.05434	2.7
189.09111	2.4
191.07031	24.5
191.08517	1.6
196.08846	4.9
199.07623	2.3
201.00833	1.8
201.12743	64.2
201.16301	2.1
205.12279	8.7
211.11192	10.2
214.09869	3.9
219.13777	5.7
229.12245	63.3
247.05963	5.8
247.07912	2.7
247.09721	2.0
247.13297	64.8
247.16977	4.4
247.20563	1.8
265.06967	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	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55534	0.6
68.89389	0.6
70.24334	1.1
70.24707	1.5
75.86954	0.6
98.21532	0.7
167.03035	1.0
169.01059	0.9
172.41721	0.8
182.20779	0.6
182.92274	0.8
200.53471	0.6
201.02548	0.7
215.00406	0.9
221.66618	0.8
229.03197	24.2
247.04259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55031	0.7
62.94996	0.6
65.82590	0.7
69.90643	2.8
91.33468	0.5
101.00846	0.6
104.10780	0.8
213.12100	0.7
224.06743	1.0
229.03201	20.2
247.04262	100.0
247.07816	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	245.1861
Annotation	Ile Ile
Peak:m/z	Relative Intensity
55.05503	0.6
56.68898	0.2
56.74952	0.2
57.67564	0.2
60.50985	0.2
67.05482	0.2
68.29324	0.2
69.07069	0.4
69.39735	0.8
69.40162	1.1
81.73565	0.2
83.04986	0.8
85.89789	0.2
86.09708	100.0
91.05452	0.3
95.08602	0.2
98.97580	0.3
101.03165	0.2
132.10196	3.6
181.78151	0.2
187.42503	0.2
189.23328	0.3
199.18016	1.5
203.75990	0.3
222.22585	0.3
245.08124	0.6
245.18616	9.5
246.46928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.05507	0.3
56.05032	0.3
56.96568	2.5
57.03447	0.3
58.06602	0.3
58.57999	0.2
62.13681	0.2
63.20188	0.2
67.05512	0.4
69.03413	0.6
69.07072	9.5
69.77982	1.0
72.08160	0.2
73.02887	0.3
74.29396	0.2
81.03408	0.3
81.07048	0.4
83.05008	0.3
83.08640	0.2
84.08162	0.5
85.02902	0.2
86.09710	100.0
91.05489	2.3
93.07028	0.3
95.08625	0.7
97.02876	0.4
97.06534	0.6
98.97585	5.1
105.07036	0.3
107.08616	0.3
109.02848	0.2
111.04493	0.2
115.03998	0.2
116.98624	3.0
121.10211	0.2
121.38183	0.2
123.08103	0.3
124.99164	0.2
129.10306	0.3
132.10214	2.1
134.99657	1.2
141.02222	1.5
142.03212	0.3
145.10085	0.2
149.06024	0.3
153.02246	0.7
155.03578	0.3
159.03314	1.7
167.03423	0.2
171.03287	4.1
177.04245	0.2
179.14391	0.4
189.04323	3.8
189.05783	0.3
197.15471	0.3
199.18080	1.0
204.06584	0.2
213.04430	0.8
227.06938	0.3
231.05464	0.7
245.04552	0.3
245.07144	0.8
245.07846	0.7
245.13654	0.3
245.16090	0.3
245.18622	6.1
245.20979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01876	1.6
55.05508	0.7
55.18529	0.5
56.96294	1.2
56.96568	13.3
57.03444	3.7
58.06606	1.0
58.99876	2.0
59.05013	0.8
60.04520	0.7
60.95853	3.9
61.02931	2.2
64.48438	0.6
65.03954	2.8
68.98302	0.8
69.03429	7.6
70.02956	1.8
70.06596	4.5
70.98130	1.2
70.99863	1.8
71.05000	1.6
71.95275	2.6
72.08160	3.8
72.96048	1.4
73.02914	2.7
73.08499	1.1
74.02463	0.9
77.00903	1.4
79.05498	2.0
81.01937	0.6
81.03427	6.4
81.07069	0.8
82.99812	5.6
83.04980	1.1
83.06130	0.7
84.04502	4.0
84.08143	5.7
84.96038	1.3
85.01418	0.8
85.02903	7.5
85.06568	1.0
86.03200	0.7
86.06087	1.8
86.09718	4.8
86.99342	1.8
87.04467	1.2
88.99177	0.7
89.00887	0.7
89.03940	0.7
91.05483	8.3
92.05822	0.8
94.99870	0.9
95.04972	0.8
96.00853	1.8
97.01418	0.9
97.02895	7.9
97.06533	0.6
98.03210	0.6
98.97593	14.8
98.98207	1.0
99.04461	3.2
100.07569	0.8
100.97219	0.7
100.97990	0.6
101.00883	46.9
101.67892	0.6
101.97247	0.6
102.00976	1.8
102.05558	0.6
102.96871	45.7
103.00645	2.1
103.02466	2.1
103.05553	0.6
103.97245	0.6
104.10751	5.4
105.00373	1.6
105.07037	0.9
109.02914	2.6
110.04813	0.7
110.97560	0.8
111.02946	0.9
112.05106	10.4
112.08710	0.6
113.00880	7.2
113.03497	27.4
113.04779	1.6
113.05434	8.5
115.00680	0.6
115.02431	5.4
115.03937	1.2
115.05450	0.6
116.07091	2.8
116.98642	7.0
117.54861	0.8
118.01134	1.1
118.04173	1.5
119.01927	88.5
119.04939	8.3
120.02009	4.3
120.05314	1.6
120.97912	21.4
120.98792	1.1
121.01661	4.0
121.03526	0.7
122.07211	0.6
123.02882	0.8
124.02592	0.7
124.95518	2.5
125.00887	1.1
125.07126	1.4
126.03720	0.6
127.02431	4.6
127.03911	4.0
129.00343	1.0
129.03279	4.3
129.10233	0.9
130.03862	0.6
130.04988	3.0
130.08659	1.1
131.00287	1.1
131.01912	18.7
131.05656	1.0
132.06577	4.2
132.55392	0.8
133.01683	1.2
133.03471	8.8
133.04486	0.6
133.05003	1.6
133.06493	1.9
134.99678	5.5
135.03223	0.5
137.00829	0.7
137.02020	0.6
137.02966	14.6
138.98944	5.6
139.02470	4.8
139.03914	0.6
141.03952	0.8
142.01785	0.8
142.03526	1.5
142.96523	3.3
143.01904	44.0
144.02039	1.7
145.01628	0.9
145.03581	18.8
145.05156	0.9
146.03601	1.2
146.99608	0.7
147.01392	2.2
147.04332	8.6
148.04759	1.2
149.01103	1.0
149.02966	1.7
149.06564	1.4
151.04472	1.3
153.03922	1.2
153.05806	0.8
154.05658	0.9
154.56728	0.6
155.01894	14.9
156.02644	1.1
156.99904	1.0
157.03474	26.6
158.03690	1.3
158.99582	1.3
159.01413	1.1
159.05045	3.2
160.04720	0.7
160.97595	2.0
161.02965	100.0
162.03119	3.8
162.04340	1.5
162.98947	19.9
163.02698	1.3
163.04573	3.1
163.07254	0.9
163.57231	5.2
164.06985	3.6
164.57198	0.6
165.00745	1.3
165.05438	0.7
167.01917	7.5
169.03488	6.9
170.96013	3.2
171.01376	1.5
171.05031	4.6
173.02975	27.9
174.03152	1.0
174.99123	2.0
175.00850	1.2
175.04572	19.1
176.04495	1.2
177.00853	1.2
177.05478	10.0
178.05817	1.1
179.00523	2.8
179.01955	2.2
179.04099	3.2
179.07098	0.9
180.04092	0.9
181.00017	15.8
181.03435	1.7
182.08017	1.0
182.99638	0.7
184.04553	2.9
184.56012	0.6
184.97583	1.9
185.02960	44.0
186.03116	0.6
187.04527	15.7
187.06215	0.9
188.97087	11.9
189.02568	1.3
189.05464	28.7
190.05797	2.9
190.98674	0.9
191.02390	1.1
191.04007	8.7
193.00285	2.8
193.01889	0.7
195.11182	0.9
196.04539	0.7
197.02971	12.3
199.00966	2.6
199.02745	1.0
199.04517	8.7
201.00613	0.9
201.02402	1.0
201.06003	0.8
201.15955	0.6
202.98790	4.5
203.02370	1.5
203.04018	34.0
203.11348	0.9
204.01648	1.0
205.05659	2.8
206.98131	7.3
207.06540	22.6
208.04913	0.6
208.06897	3.1
209.02991	1.6
210.06075	0.6
214.05814	2.2
215.03976	14.2
217.01978	1.8
217.03789	1.1
217.05597	10.0
219.01897	0.6
219.03804	0.8
220.99667	3.1
221.01775	3.5
221.03404	0.9
221.05052	9.1
222.02455	1.0
222.05875	0.9
223.01091	1.4
223.04712	0.6
223.06606	3.0
224.04381	3.5
224.06671	0.9
225.06361	1.3
226.05711	0.9
227.04050	8.5
230.98157	1.8
233.05069	5.7
235.02959	0.7
241.07607	1.0
245.05066	92.7
245.12230	5.2
245.15002	3.6
245.18732	1.2
248.99193	1.4
263.02899	18.2
263.06128	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	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93510	1.8
56.96560	1.8
58.99853	1.4
69.03420	2.7
71.54015	1.5
71.93004	1.6
72.93800	10.5
81.03420	1.6
82.99866	3.9
86.99326	2.3
87.04483	1.3
89.00938	1.2
90.94830	11.0
97.02888	3.7
98.97601	1.8
99.04447	2.2
100.02535	1.3
101.00889	35.5
102.00996	1.7
103.00608	3.0
103.02449	2.4
105.00352	2.5
108.95870	1.7
113.00853	8.2
113.96385	3.7
115.02446	3.2
116.98683	1.3
119.01930	71.8
120.02019	7.7
121.01670	4.2
127.02433	2.6
127.03918	4.4
129.03947	1.3
131.01912	18.1
131.05612	1.5
132.95834	1.3
133.03467	5.7
137.02963	13.6
138.03069	1.7
139.02461	4.5
142.03502	2.2
143.01913	37.6
143.03667	2.0
145.03488	12.5
147.01375	3.4
147.05055	1.2
149.02965	1.7
149.06677	1.9
149.96094	9.9
155.01944	7.8
157.03482	27.5
160.99747	2.9
161.02969	100.0
162.03189	2.7
163.04561	3.0
167.01921	4.3
167.97188	11.3
169.03499	3.3
171.05069	3.9
172.97754	9.2
173.02969	20.0
175.04530	19.3
177.00980	2.7
177.09744	1.5
179.00719	17.2
179.04057	5.0
180.04166	3.3
181.03523	1.9
184.04558	1.8
185.02965	42.1
187.04532	10.5
190.98836	2.6
191.03987	8.3
197.03012	6.8
198.94366	1.5
199.00877	1.5
199.04561	5.5
202.95058	1.2
203.00778	2.0
203.02365	1.8
203.04019	39.1
203.05515	1.5
203.11296	1.6
209.02948	1.4
215.03976	12.6
216.95209	1.4
217.02016	1.4
217.05544	5.3
219.01978	6.0
219.03801	2.2
221.01797	22.7
221.04924	6.0
221.94191	1.7
222.01791	2.3
222.06169	1.6
227.00591	2.1
227.04070	14.3
233.05101	7.4
244.95912	1.5
245.01949	10.3
245.05099	82.6
245.12221	11.5
245.14653	1.5
263.02899	95.2
263.06137	12.7
268.06760	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01876	1.6
55.05508	0.7
55.18529	0.5
56.96294	1.2
56.96568	13.3
57.03444	3.7
58.06606	1.0
58.99876	2.0
59.05013	0.8
60.04520	0.7
60.95853	3.9
61.02931	2.2
64.48438	0.6
65.03954	2.8
68.98302	0.8
69.03429	7.6
70.02956	1.8
70.06596	4.5
70.98130	1.2
70.99863	1.8
71.05000	1.6
71.95275	2.6
72.08160	3.8
72.96048	1.4
73.02914	2.7
73.08499	1.1
74.02463	0.9
77.00903	1.4
79.05498	2.0
81.01937	0.6
81.03427	6.4
81.07069	0.8
82.99812	5.6
83.04980	1.1
83.06130	0.7
84.04502	4.0
84.08143	5.7
84.96038	1.3
85.01418	0.8
85.02903	7.5
85.06568	1.0
86.03200	0.7
86.06087	1.8
86.09718	4.8
86.99342	1.8
87.04467	1.2
88.99177	0.7
89.00887	0.7
89.03940	0.7
91.05483	8.3
92.05822	0.8
94.99870	0.9
95.04972	0.8
96.00853	1.8
97.01418	0.9
97.02895	7.9
97.06533	0.6
98.03210	0.6
98.97593	14.8
98.98207	1.0
99.04461	3.2
100.07569	0.8
100.97219	0.7
100.97990	0.6
101.00883	46.9
101.67892	0.6
101.97247	0.6
102.00976	1.8
102.05558	0.6
102.96871	45.7
103.00645	2.1
103.02466	2.1
103.05553	0.6
103.97245	0.6
104.10751	5.4
105.00373	1.6
105.07037	0.9
109.02914	2.6
110.04813	0.7
110.97560	0.8
111.02946	0.9
112.05106	10.4
112.08710	0.6
113.00880	7.2
113.03497	27.4
113.04779	1.6
113.05434	8.5
115.00680	0.6
115.02431	5.4
115.03937	1.2
115.05450	0.6
116.07091	2.8
116.98642	7.0
117.54861	0.8
118.01134	1.1
118.04173	1.5
119.01927	88.5
119.04939	8.3
120.02009	4.3
120.05314	1.6
120.97912	21.4
120.98792	1.1
121.01661	4.0
121.03526	0.7
122.07211	0.6
123.02882	0.8
124.02592	0.7
124.95518	2.5
125.00887	1.1
125.07126	1.4
126.03720	0.6
127.02431	4.6
127.03911	4.0
129.00343	1.0
129.03279	4.3
129.10233	0.9
130.03862	0.6
130.04988	3.0
130.08659	1.1
131.00287	1.1
131.01912	18.7
131.05656	1.0
132.06577	4.2
132.55392	0.8
133.01683	1.2
133.03471	8.8
133.04486	0.6
133.05003	1.6
133.06493	1.9
134.99678	5.5
135.03223	0.5
137.00829	0.7
137.02020	0.6
137.02966	14.6
138.98944	5.6
139.02470	4.8
139.03914	0.6
141.03952	0.8
142.01785	0.8
142.03526	1.5
142.96523	3.3
143.01904	44.0
144.02039	1.7
145.01628	0.9
145.03581	18.8
145.05156	0.9
146.03601	1.2
146.99608	0.7
147.01392	2.2
147.04332	8.6
148.04759	1.2
149.01103	1.0
149.02966	1.7
149.06564	1.4
151.04472	1.3
153.03922	1.2
153.05806	0.8
154.05658	0.9
154.56728	0.6
155.01894	14.9
156.02644	1.1
156.99904	1.0
157.03474	26.6
158.03690	1.3
158.99582	1.3
159.01413	1.1
159.05045	3.2
160.04720	0.7
160.97595	2.0
161.02965	100.0
162.03119	3.8
162.04340	1.5
162.98947	19.9
163.02698	1.3
163.04573	3.1
163.07254	0.9
163.57231	5.2
164.06985	3.6
164.57198	0.6
165.00745	1.3
165.05438	0.7
167.01917	7.5
169.03488	6.9
170.96013	3.2
171.01376	1.5
171.05031	4.6
173.02975	27.9
174.03152	1.0
174.99123	2.0
175.00850	1.2
175.04572	19.1
176.04495	1.2
177.00853	1.2
177.05478	10.0
178.05817	1.1
179.00523	2.8
179.01955	2.2
179.04099	3.2
179.07098	0.9
180.04092	0.9
181.00017	15.8
181.03435	1.7
182.08017	1.0
182.99638	0.7
184.04553	2.9
184.56012	0.6
184.97583	1.9
185.02960	44.0
186.03116	0.6
187.04527	15.7
187.06215	0.9
188.97087	11.9
189.02568	1.3
189.05464	28.7
190.05797	2.9
190.98674	0.9
191.02390	1.1
191.04007	8.7
193.00285	2.8
193.01889	0.7
195.11182	0.9
196.04539	0.7
197.02971	12.3
199.00966	2.6
199.02745	1.0
199.04517	8.7
201.00613	0.9
201.02402	1.0
201.06003	0.8
201.15955	0.6
202.98790	4.5
203.02370	1.5
203.04018	34.0
203.11348	0.9
204.01648	1.0
205.05659	2.8
206.98131	7.3
207.06540	22.6
208.04913	0.6
208.06897	3.1
209.02991	1.6
210.06075	0.6
214.05814	2.2
215.03976	14.2
217.01978	1.8
217.03789	1.1
217.05597	10.0
219.01897	0.6
219.03804	0.8
220.99667	3.1
221.01775	3.5
221.03404	0.9
221.05052	9.1
222.02455	1.0
222.05875	0.9
223.01091	1.4
223.04712	0.6
223.06606	3.0
224.04381	3.5
224.06671	0.9
225.06361	1.3
226.05711	0.9
227.04050	8.5
230.98157	1.8
233.05069	5.7
235.02959	0.7
241.07607	1.0
245.05066	92.7
245.12230	5.2
245.15002	3.6
245.18732	1.2
248.99193	1.4
263.02899	18.2
263.06128	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	244.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
56.05016	0.5
56.63642	0.2
56.82195	0.3
56.96551	1.2
57.07078	6.5
58.06602	14.1
62.06084	0.7
62.41217	0.3
67.04076	0.3
67.05486	0.3
69.07053	0.5
71.08645	2.3
71.55842	0.4
72.08162	2.5
74.06087	0.5
76.07253	0.5
76.07648	7.7
81.07034	0.6
83.08612	0.5
85.10178	1.2
100.02487	0.5
117.07153	0.3
189.05475	1.3
197.99251	0.4
202.99988	0.4
207.59729	0.3
221.01254	0.9
224.08020	0.6
226.18100	0.5
226.25323	2.6
244.26367	100.0
245.26743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55218	0.4
57.87651	0.4
61.63173	0.5
66.69585	0.4
71.18546	0.7
82.01457	0.5
83.99986	0.5
98.97566	0.6
100.02498	0.6
101.00888	9.7
102.00970	1.6
119.01930	24.2
120.01995	3.0
121.01659	0.5
124.02452	0.5
137.02945	3.8
138.03017	0.6
141.98967	0.8
142.03520	4.2
143.01852	1.1
157.03470	0.5
158.99933	0.5
159.99960	3.3
160.04602	0.7
161.02977	8.4
173.02859	0.5
177.00943	2.4
178.01048	15.4
179.00676	1.8
179.04037	8.2
179.93860	0.4
184.00056	0.6
184.04518	0.6
185.02925	0.6
201.00626	0.5
202.01006	2.6
202.05612	1.1
203.00639	0.6
203.04008	0.6
218.04182	3.1
219.02037	2.2
220.02121	21.1
220.94145	0.8
221.01767	7.7
221.05043	0.9
221.89690	0.4
226.00928	2.0
238.98337	1.6
243.95850	0.6
244.02092	12.5
245.01854	0.9
245.05153	0.6
262.03204	100.0
263.02844	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	243.1594
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
51.24957	2.1
53.03954	5.6
53.17686	2.1
55.01867	4.3
55.05506	9.6
56.96570	18.8
57.03432	10.5
61.02942	2.5
65.03944	5.6
67.05517	15.3
69.03442	17.1
69.07079	12.4
69.19163	22.6
70.06596	3.3
71.01345	2.7
71.04996	14.1
73.02896	3.0
79.05495	14.4
81.03416	10.2
81.07058	19.0
83.04975	19.8
83.08607	3.4
84.04467	2.2
84.08102	2.9
84.96060	3.1
85.02914	6.8
85.06548	4.5
86.09716	5.6
91.05482	39.3
93.07064	32.2
95.04982	37.6
95.08617	21.9
97.02890	22.6
97.06526	13.6
98.20779	4.4
98.96941	5.1
98.97592	100.0
99.00822	10.4
99.04464	21.2
99.08126	2.8
105.07044	36.9
107.04958	7.7
107.08611	42.1
109.02882	15.8
109.06541	13.9
109.10159	15.7
110.97570	3.5
111.04440	5.6
111.08073	3.7
115.03931	3.3
116.97849	3.0
116.98636	33.4
117.03468	2.3
117.07021	13.2
118.36226	2.8
119.04950	23.0
119.08579	45.5
121.02840	3.4
121.06520	5.8
121.10138	24.2
123.04450	9.1
123.08068	39.9
123.11694	4.8
125.02347	6.6
125.06020	6.4
125.09638	9.6
127.03912	5.8
128.06248	3.4
128.98608	5.4
129.05513	2.7
131.03458	3.4
131.08578	18.8
133.06526	3.1
133.10141	29.8
134.99651	5.9
135.04407	3.4
135.08090	5.2
135.11723	12.5
137.06021	6.7
137.09613	16.7
137.13257	3.1
139.03918	47.3
139.07536	2.8
139.11209	3.2
141.05515	6.3
143.00226	5.1
143.08574	6.6
145.02887	7.8
145.10143	28.8
147.04413	35.4
147.08066	3.6
147.11726	10.5
149.02376	13.4
149.09628	35.2
149.13284	3.0
151.03940	2.6
151.07539	8.8
151.11182	10.7
153.05461	4.6
153.09097	5.8
158.99686	35.1
159.09479	2.5
159.11714	36.4
159.99931	3.3
160.07596	3.4
161.05965	5.7
161.13263	15.1
163.11206	22.1
165.05484	7.4
165.09157	2.9
165.12822	6.4
167.10690	48.5
169.04939	15.3
169.12267	6.7
171.11737	10.2
175.03918	31.0
177.00706	29.7
177.05527	8.1
177.12740	25.6
178.19626	2.6
179.07079	6.1
179.10631	3.7
179.14302	7.0
181.12251	8.4
182.70847	2.4
189.05472	28.2
189.12733	14.9
193.04919	11.8
195.13823	6.5
206.03450	2.9
207.06551	30.8
207.13811	65.4
208.06998	2.8
211.06042	10.6
213.14828	5.5
215.07022	7.6
219.01811	6.4
222.04726	12.8
222.08308	27.3
222.58397	3.2
223.09132	2.7
225.07605	7.7
225.14845	48.8
231.08803	4.6
237.02757	2.8
243.06580	8.2
243.08638	12.0
243.11249	10.8
243.15916	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	243.159
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03933	5.2
55.01861	7.7
55.05264	2.6
55.05509	27.0
56.96554	5.1
57.03422	6.2
59.04999	23.9
61.02917	4.3
65.03922	5.8
67.05505	59.7
68.99796	2.0
69.03416	4.2
69.06741	2.1
69.07070	22.1
71.01344	1.8
71.04602	3.2
71.04993	50.3
71.55559	3.0
73.06552	3.0
79.05492	51.5
81.02986	2.6
81.03417	32.2
81.07054	69.7
81.07525	4.6
81.34046	1.7
83.04987	21.1
83.08607	13.2
85.02897	5.1
85.06537	13.5
87.04439	7.8
88.27582	1.6
91.05479	68.9
93.06485	2.6
93.07041	38.4
93.07964	2.0
95.04957	18.3
95.08607	28.3
97.06523	18.7
97.10155	3.9
98.97567	11.3
99.08075	3.7
101.06003	3.2
105.07037	44.9
107.04930	5.3
107.08595	44.0
109.06490	13.6
109.10130	2.6
111.04427	5.0
111.08096	11.7
113.05987	5.3
116.98609	4.7
117.06999	2.9
119.04941	4.4
119.08576	32.9
121.02859	1.8
121.06502	3.6
121.10143	34.0
123.08064	9.1
123.11686	7.2
125.05989	2.7
127.07571	2.4
129.06990	14.2
131.08569	31.5
133.06488	3.6
133.09134	2.7
133.10135	53.1
135.11661	2.1
137.09634	2.8
139.03889	3.5
142.07767	4.8
145.10167	2.0
147.04427	3.3
147.08014	4.1
147.11690	50.1
149.08420	2.4
149.09619	46.8
149.13263	2.2
151.07632	1.7
151.11209	2.6
157.10124	31.7
158.99652	4.2
165.12737	7.2
167.10716	8.8
169.10123	2.2
175.11185	35.7
177.00650	2.6
177.05429	3.3
179.14261	3.4
189.05417	4.7
193.12244	52.3
197.15312	22.9
199.13297	9.9
207.06447	4.4
207.13774	5.0
211.13275	28.4
225.14848	100.0
243.06454	2.8
243.10205	4.7
243.13676	3.1
243.15921	6.9
243.21202	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09478	0.1
70.91116	0.2
76.83864	0.1
78.07918	0.1
82.99827	1.0
88.41821	0.1
98.21572	0.1
98.97550	0.6
101.00887	6.6
116.98753	0.3
119.01925	9.6
121.01672	0.1
122.97844	0.3
134.80351	0.1
134.99867	0.6
137.02954	0.9
138.39377	0.1
140.98836	1.5
142.03546	0.2
157.01891	0.1
158.99898	4.7
164.46983	0.1
165.99654	0.2
166.01025	0.1
175.03047	0.4
177.00957	18.1
178.01073	0.4
179.01469	0.1
182.99844	1.2
183.01332	0.1
193.04077	0.1
195.02103	0.1
199.03047	0.4
200.02568	0.2
201.00940	4.2
201.02339	0.3
202.01088	0.2
211.73965	0.1
215.01700	0.1
217.04092	2.9
219.02013	23.6
220.02150	1.9
220.04207	0.1
221.02274	0.1
224.58836	0.1
225.00816	2.1
234.00722	0.4
242.03679	0.4
243.01988	12.4
261.03064	100.0
262.03137	0.7
263.03482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
57.03425	1.1
58.06603	13.9
59.38847	0.3
61.02929	4.2
69.03423	1.0
69.24595	1.1
69.25020	1.5
70.06593	2.4
73.02911	0.6
79.05470	0.5
80.05025	1.7
84.08144	8.2
85.02917	1.6
85.06491	0.4
86.99345	0.3
87.00873	0.4
91.05473	1.5
95.04967	0.4
97.02846	0.4
98.09681	1.3
100.11287	0.4
101.00879	2.9
101.02390	0.4
103.05415	0.4
103.50277	0.3
105.07034	0.4
106.04170	0.6
107.04942	1.2
113.00844	0.8
113.02352	0.9
115.02423	0.7
115.03943	0.5
116.07092	0.5
119.01922	3.9
120.02029	0.4
121.06457	0.7
126.05536	0.4
127.03882	0.5
128.10713	2.9
131.01875	1.4
132.01726	0.5
133.03482	1.0
135.04417	1.9
139.02390	0.9
142.02951	0.4
143.01886	1.0
144.10188	1.2
144.99797	0.7
149.02953	0.4
149.05977	1.3
150.03146	0.5
151.07487	0.4
152.07060	0.6
153.02232	0.4
153.05453	0.4
155.01814	0.4
156.97481	0.8
157.03482	1.2
160.01112	0.6
160.02878	0.6
161.02966	0.6
161.04385	0.4
162.02805	0.5
163.03870	1.5
167.06955	0.5
168.10208	1.1
168.99832	0.8
171.01416	0.3
173.03032	0.4
174.98514	0.4
177.02431	0.5
177.04143	0.3
177.05428	2.1
181.01637	0.7
185.02951	0.6
187.00896	1.0
187.04489	0.4
189.03961	0.8
190.02191	1.1
193.04968	0.5
195.06628	0.5
196.09686	4.8
197.02898	0.4
198.98659	0.5
199.02615	0.3
199.04559	0.4
201.02470	0.5
202.02258	0.3
203.04120	0.4
205.01967	0.4
205.05470	0.4
211.02751	0.9
213.15895	0.4
215.00359	0.7
216.99629	0.5
219.03445	0.5
220.03261	0.6
223.06334	2.5
241.03398	2.9
241.15479	100.0
242.15810	0.5
247.03033	0.9
252.57919	0.3
259.04318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01865	2.8
55.05513	6.5
56.96550	0.8
57.03421	2.0
57.07063	0.8
67.05511	10.0
69.03433	1.2
69.07071	6.1
71.00905	0.6
71.04987	1.6
73.02915	1.0
79.05497	16.7
81.03413	2.4
81.07064	13.8
83.04980	2.3
83.08620	5.5
90.98558	0.6
91.05476	4.2
93.07050	25.6
95.04980	3.2
95.08614	25.7
97.02895	2.8
97.06512	2.7
98.20697	1.0
98.97587	3.0
99.04470	3.7
105.07043	4.3
107.04959	7.8
107.08597	18.3
109.06524	1.6
109.10164	2.1
111.04449	1.3
111.08108	1.3
117.07021	6.3
119.08604	7.2
121.06520	3.5
121.10151	7.7
125.05983	2.3
133.10117	1.3
135.08125	1.6
135.11694	32.1
139.07504	1.7
139.11205	0.7
143.08571	1.0
145.09073	1.5
145.10138	19.9
153.12808	0.8
163.11191	43.5
173.09686	1.0
177.00711	0.8
181.12267	9.0
209.11746	2.9
218.94485	0.8
227.12785	100.0
228.13039	0.8
241.08524	0.8
241.14325	1.9
241.19550	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0859
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
51.02384	2.5
53.03947	13.4
55.01881	4.7
55.05507	5.7
56.96547	1.4
57.03415	2.4
62.35685	0.8
63.02370	1.1
65.03934	5.2
67.05506	31.7
68.06262	1.4
69.03414	3.5
69.07072	2.0
71.04987	0.9
71.55969	1.0
75.90330	0.8
77.03927	5.2
78.04719	1.9
79.05495	65.7
80.06250	2.4
81.03413	6.4
81.07043	3.6
83.04987	11.4
83.08637	1.1
85.02850	0.9
89.03919	43.4
91.05492	4.2
93.07036	2.5
95.04969	38.2
95.08569	2.0
96.05766	5.6
97.06538	2.0
98.97593	7.1
103.05442	5.8
105.03375	4.0
105.04516	6.8
105.07014	1.4
106.04165	2.8
107.04961	8.2
107.08595	1.0
109.06509	1.0
109.10143	1.2
115.05473	4.4
116.98615	3.7
117.03382	32.0
118.04180	1.2
119.04965	1.7
121.06477	1.1
121.10148	1.8
128.06238	4.6
129.03355	1.2
129.07004	5.7
129.49095	0.8
131.04947	7.0
131.08627	1.5
133.02849	6.0
134.03635	20.4
134.99611	1.4
135.04425	39.4
135.11755	1.0
141.06996	5.4
142.07806	6.4
143.04890	6.0
143.08528	2.0
144.05690	1.0
145.02847	31.9
145.03987	1.7
145.06499	1.8
145.10095	1.1
146.03644	3.3
147.04457	5.7
152.06203	9.6
153.07002	2.6
154.07776	1.0
155.04881	2.6
155.06041	1.6
156.05679	6.6
157.02827	1.8
157.03993	2.5
157.06500	5.5
157.10138	3.4
158.01288	1.2
159.04405	8.7
161.02350	3.7
162.03130	5.0
163.03908	88.2
165.07008	4.8
166.07787	1.7
167.07254	1.3
167.08588	11.0
168.05728	1.0
169.06445	4.9
170.07260	5.9
171.04408	3.9
171.08005	2.5
173.02312	1.2
177.00732	1.8
181.06418	2.6
183.04427	1.4
183.08037	1.6
184.05200	11.3
185.02354	1.5
185.05891	4.4
185.09645	8.0
186.05519	1.5
187.03845	1.8
195.08055	12.5
197.05975	3.4
198.06696	5.3
199.03922	9.7
199.07623	4.2
209.11703	1.3
212.04651	3.2
213.05504	1.7
213.09087	8.5
223.07683	4.3
223.13243	1.6
226.06198	1.8
241.08594	100.0
241.19418	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2368
Annotation	Bombykol
Peak:m/z	Relative Intensity
52.95734	0.6
53.00320	1.0
53.03942	0.7
55.05510	17.7
56.75927	0.5
57.07078	100.0
59.05005	0.6
65.03963	1.2
67.05507	37.6
68.39939	0.6
69.07070	20.1
71.05003	1.1
71.08634	66.0
79.05493	4.1
80.94888	1.0
81.07056	41.6
82.84076	0.6
83.04987	0.7
83.08623	24.8
85.06544	3.2
85.10183	34.8
89.06030	1.9
91.05511	1.6
93.07055	3.2
95.08610	63.1
97.10173	12.0
98.21631	1.0
99.04480	1.6
99.08111	1.6
99.11735	1.1
105.03401	1.3
105.07040	0.7
107.04952	0.9
107.08614	1.9
109.10157	24.4
111.11765	1.8
121.10176	0.6
123.11692	8.0
125.13284	1.0
133.02881	1.7
133.06499	0.6
133.08614	1.3
133.10136	0.6
137.06001	0.7
137.13269	2.6
147.11711	0.6
149.83585	0.6
155.08607	0.8
161.02380	1.2
174.99123	0.7
179.03473	1.3
183.11719	0.7
197.13289	0.7
198.18602	0.8
207.01274	0.9
207.02826	4.0
221.11795	0.8
224.62868	0.8
225.03995	1.4
233.32893	0.6
239.05417	0.9
239.08890	15.2
239.14549	0.8
239.18062	2.4
239.20242	1.1
239.23834	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01877	5.2
55.05512	18.7
56.08530	2.2
56.96552	3.7
57.03438	6.7
57.07077	7.0
59.05001	4.5
64.80941	2.3
65.03918	4.2
65.07926	2.5
67.05508	20.7
69.03435	23.7
69.07063	19.5
70.37949	2.4
71.04999	44.5
79.05495	30.9
81.03415	3.0
81.07059	100.0
83.04995	15.4
83.08624	9.8
85.02891	5.2
85.06553	9.3
87.04453	3.0
91.05478	21.5
93.07045	46.1
94.20592	2.8
95.04983	17.4
95.08601	32.9
97.02935	3.4
97.06537	18.0
97.10181	4.4
98.97590	30.2
99.08102	25.3
104.07117	3.3
105.03391	10.3
105.07030	43.4
107.08590	48.7
109.02914	3.4
109.06522	20.1
109.10168	33.7
111.08064	5.8
116.17272	2.4
116.98643	9.6
117.07021	7.0
119.08606	22.8
121.02905	3.1
121.06483	7.5
121.10155	25.9
122.03891	2.4
123.08112	7.3
123.11716	20.9
125.09622	12.9
127.07561	12.6
127.11202	41.5
131.08569	11.8
131.27805	2.4
133.02823	4.1
133.10135	68.8
135.08052	6.4
135.11691	15.5
137.09612	7.7
139.11166	7.8
143.08597	3.5
143.10701	11.7
145.02855	10.1
145.10133	35.4
147.11708	13.0
149.02348	11.5
149.06010	5.5
149.09599	3.8
149.13269	6.8
151.07497	3.5
151.11188	81.4
151.12390	5.4
153.12811	3.6
154.77498	3.1
155.10666	15.0
156.08029	3.3
158.99675	12.8
159.08116	2.9
159.11684	17.9
161.13252	11.9
163.07553	3.2
163.11206	8.4
163.14842	6.0
165.08609	2.6
165.12817	3.2
167.14413	2.6
169.24350	2.7
173.02446	3.6
173.13309	5.5
175.11284	2.6
175.14801	4.4
177.00716	9.0
177.05486	11.8
177.12796	3.5
177.16541	3.5
191.07094	3.1
191.10712	4.2
191.14351	2.8
191.17999	3.8
192.04222	4.1
193.05014	8.5
194.07043	3.2
197.58588	2.9
201.16393	20.5
205.04932	9.0
207.06557	8.8
207.17491	2.8
219.06496	6.8
219.10007	5.7
219.13861	4.2
219.17445	32.7
222.10217	9.3
228.10127	11.3
237.07434	18.6
237.10951	21.0
237.15698	50.6
237.18497	40.1
237.22139	9.3
259.32202	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03949	2.1
54.93260	1.1
55.01854	1.2
55.05508	9.0
55.20200	0.9
56.96561	5.0
57.03427	1.9
57.07064	4.7
58.11769	0.9
59.05009	7.5
61.87132	1.1
65.03905	2.0
67.05505	18.2
68.51852	1.3
69.03442	5.3
69.07066	8.4
70.60085	1.9
70.60426	1.4
71.04607	1.2
71.04990	22.4
73.06555	1.5
75.24058	1.0
76.77854	1.1
79.05492	11.8
81.07054	86.4
83.04967	4.1
83.08597	4.5
85.02915	1.1
85.06533	5.2
85.33147	1.0
91.05481	12.8
93.07040	100.0
95.04970	6.5
95.08607	33.0
97.06518	4.6
97.10170	2.6
98.97587	17.6
99.08089	6.9
105.07030	27.6
107.08595	28.8
109.06533	7.2
109.10160	21.3
110.97542	1.6
111.08066	2.8
113.06005	5.4
113.09681	2.7
115.07566	4.7
116.98615	3.1
117.06990	3.8
119.07812	1.5
119.08585	21.1
121.09346	1.1
121.10143	15.7
123.08035	5.3
123.11699	46.3
125.09655	5.5
127.07514	3.2
127.11160	8.0
131.08583	6.3
133.10126	51.2
134.99608	1.4
135.08086	1.8
135.11687	9.7
137.09575	2.9
139.11157	3.2
143.00102	1.5
143.10649	3.7
145.01703	1.5
145.10118	11.3
147.04337	1.4
147.11684	15.7
149.05901	1.2
149.09641	1.5
149.13239	5.8
151.11180	35.4
153.12703	1.9
155.10674	2.8
157.10123	1.1
158.99672	6.9
159.11685	12.0
161.13248	7.3
163.02744	1.5
163.11182	3.7
165.12805	1.2
169.12202	1.4
173.13280	5.7
175.14841	2.6
177.00714	3.1
177.05382	1.9
177.12791	3.0
177.16376	1.8
191.14279	3.2
191.17938	5.2
195.17363	1.0
201.16374	14.9
207.06573	1.6
219.01707	2.2
219.06444	1.3
219.09659	7.4
219.14029	1.2
219.17430	33.5
228.10126	5.2
237.10793	3.5
237.14841	2.4
237.18503	32.4
237.22043	1.4
246.92007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03923	2.8
55.05318	1.1
55.05515	12.4
56.96557	4.3
57.03442	2.0
57.07060	5.0
59.04990	6.8
61.02949	1.6
65.03950	9.5
65.04240	1.9
67.05513	16.4
69.03427	4.8
69.07072	10.5
69.38583	7.4
69.38997	5.3
71.04996	26.6
79.05493	14.8
81.07061	88.0
82.01838	1.6
83.04974	3.8
83.08598	6.0
85.02866	1.7
85.06547	4.8
89.03944	1.7
91.05483	20.3
93.07047	100.0
95.04984	9.6
95.08609	34.3
97.06528	4.9
97.10165	2.0
98.20806	2.9
98.97589	15.8
99.08105	10.7
102.96837	4.7
103.05453	2.3
105.07039	29.6
107.08606	26.8
107.14297	1.4
109.06544	8.2
109.10162	19.3
110.97546	2.6
111.08069	3.1
113.06000	6.1
113.09645	2.0
115.07599	7.3
116.98665	2.9
117.03387	2.2
118.02847	2.7
119.04922	2.8
119.08583	20.2
120.97823	1.6
121.10156	16.3
123.08064	4.2
123.11709	49.7
124.02813	1.9
124.99145	2.3
125.09610	6.2
127.00681	2.0
127.07565	6.3
127.11239	8.1
131.04915	3.5
131.08539	5.5
133.03435	1.7
133.10141	53.3
135.08102	10.2
135.11678	15.4
137.09608	3.7
139.11168	1.5
143.10640	2.7
145.01672	4.2
145.02795	22.4
145.10112	10.0
147.04401	12.6
147.11700	14.5
148.05190	5.5
149.09531	1.9
149.13245	9.4
151.07545	4.8
151.11195	42.4
154.03906	15.6
155.10654	4.4
156.07980	2.2
158.99654	6.7
159.04405	6.1
159.11725	9.8
161.13229	6.9
162.98909	2.4
163.04369	2.8
163.11212	1.5
165.12668	2.4
169.32059	1.9
170.99670	2.5
173.02423	1.9
173.13274	6.7
175.03915	13.4
175.14789	2.4
177.00572	1.9
177.05472	18.6
177.12703	3.9
177.16426	1.8
191.03363	6.6
191.07132	1.8
191.14342	4.4
191.17995	5.7
191.35661	1.6
192.04178	25.6
201.16441	13.5
204.04227	3.1
205.05014	4.2
206.05629	1.8
207.06546	50.8
212.73618	1.6
217.07292	3.6
219.06494	13.8
219.09715	5.4
219.17451	39.4
225.08754	2.6
225.59001	1.5
228.10188	1.8
231.01929	1.7
237.07585	7.2
237.10876	1.9
237.18521	37.0
249.02879	2.8
257.63153	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03950	2.2
55.01857	2.0
55.05512	46.3
56.96553	3.6
57.07077	2.8
59.04989	4.4
60.75652	1.7
66.29940	1.8
67.05499	8.0
69.03426	3.5
69.07065	9.5
69.30656	7.6
69.31086	8.9
71.04665	2.3
71.04999	28.8
73.06538	2.5
79.05496	10.9
81.06601	2.2
81.07054	34.3
83.04980	52.2
85.06539	2.6
91.05486	11.0
93.07047	32.6
95.04959	10.1
95.08606	19.8
97.06543	9.0
98.97569	18.0
99.08096	3.1
99.56002	1.8
105.07040	30.4
107.08594	22.6
109.02895	1.8
109.06511	7.3
109.10155	20.2
110.97552	2.1
111.08112	9.2
116.98608	3.5
117.07011	3.3
119.08575	12.3
121.06494	3.3
121.09349	2.5
121.10156	33.7
123.08083	4.7
123.11724	13.0
125.09620	3.5
127.11175	7.2
131.08568	14.1
133.10133	100.0
135.11705	17.0
137.13239	2.9
139.11195	16.8
144.84065	1.8
145.10126	16.2
147.11659	17.9
149.02342	1.8
149.09584	3.3
149.13220	10.9
151.11168	26.5
153.12730	20.1
156.07974	4.4
158.99672	8.7
159.11690	19.3
161.13197	4.6
163.11122	3.9
165.08449	2.5
167.14339	2.5
169.04393	3.3
177.00734	4.4
177.05447	2.6
177.12677	2.8
181.12196	2.2
191.14426	1.9
191.17935	3.5
198.09151	2.5
201.16374	19.4
219.06497	2.1
219.17447	25.8
228.10104	13.1
237.07513	3.1
237.10680	5.5
237.18510	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	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03936	3.0
55.01871	2.6
55.05517	7.8
56.61262	1.3
56.96565	7.8
57.03424	5.1
57.07070	5.1
59.04995	1.5
65.03941	2.3
67.05507	12.6
69.03439	19.3
69.07076	11.3
69.44273	2.1
69.44693	9.4
71.04994	31.7
73.02930	1.5
73.81251	1.2
77.84823	1.3
79.05501	15.1
81.03418	5.8
81.06596	2.3
81.07065	42.7
82.84687	1.4
83.04995	7.9
83.08611	4.8
85.02908	3.9
85.06557	3.2
86.06702	1.5
91.05490	12.6
93.07047	30.4
95.04989	8.2
95.08607	14.9
97.02897	4.7
97.06553	7.4
97.10183	2.2
98.03235	1.5
98.21580	2.5
98.97605	8.8
99.04436	2.0
99.08101	8.1
102.96878	2.9
103.05477	2.6
105.03389	3.9
105.07033	29.9
107.05000	2.1
107.08596	33.9
109.02860	2.5
109.06518	13.5
109.10165	22.8
111.08071	4.3
111.11681	1.5
113.09667	2.0
116.98622	1.9
117.07021	4.9
119.08583	21.1
120.08113	3.2
120.97971	1.5
121.02888	2.9
121.06502	5.1
121.10149	13.3
123.04472	1.8
123.08058	5.5
123.11723	12.0
125.06023	2.1
125.09647	8.7
127.00501	1.7
127.07567	3.3
127.11198	34.1
129.06985	2.0
131.04916	2.5
131.08574	9.9
133.02907	3.9
133.10135	36.1
135.08041	5.6
135.11684	6.1
137.05974	2.2
137.09615	4.2
139.11185	5.9
143.08466	1.5
143.10677	8.1
145.02779	2.3
145.06441	1.9
145.10135	22.9
146.06081	1.8
147.04448	1.6
147.11684	8.5
149.02367	2.3
149.06039	2.6
149.09590	4.5
149.13260	4.8
151.07582	2.3
151.11192	100.0
153.09113	1.4
155.10678	12.0
159.08095	2.6
159.11708	15.1
161.09618	1.9
161.13277	4.4
162.99146	1.8
163.03899	2.3
163.07542	5.1
163.11176	4.8
165.12759	1.6
173.13312	4.8
175.14830	2.8
176.96918	2.2
177.00610	3.3
177.05486	5.6
177.12778	5.1
177.16364	1.5
179.03439	1.8
189.05396	1.8
191.05836	3.0
191.10782	2.8
191.14362	5.6
191.17940	2.3
192.10165	2.1
196.02217	1.4
201.12596	1.8
201.16403	12.8
205.01355	2.3
205.04849	4.5
216.06459	4.5
219.06384	15.9
219.10175	5.7
219.13841	3.7
219.17458	29.2
219.79530	1.3
223.02431	2.4
237.07332	6.3
237.11217	4.2
237.14810	13.2
237.18497	28.8
237.22025	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	237.0758
Annotation	DECARBOXYHYDROXYCITRINONE
Peak:m/z	Relative Intensity
53.03942	4.2
55.01850	1.5
55.05507	4.9
56.96559	3.8
57.07067	3.4
59.04985	1.6
65.03946	11.6
67.05497	7.7
69.03411	4.8
69.07076	6.1
69.31132	11.1
71.05000	6.1
75.04480	34.4
77.16295	1.2
78.04729	1.8
79.05502	10.5
81.03423	1.6
81.07054	17.5
83.04970	6.2
83.08610	3.2
84.67155	1.2
85.02871	1.4
85.06565	2.2
89.03913	14.1
91.05484	28.3
93.03423	1.8
93.07032	13.8
95.04968	7.8
95.08602	9.3
97.02843	2.3
97.06525	4.6
97.10118	1.3
98.97569	2.5
99.04477	1.1
99.08084	4.5
103.05472	4.3
105.03384	3.9
105.07023	11.0
106.04176	3.2
107.08604	11.3
109.06510	8.7
109.10168	11.7
111.04420	1.2
111.08058	2.4
116.98600	1.3
117.03380	10.7
117.07028	3.9
118.04144	2.1
119.04943	3.7
119.08569	5.0
121.02778	2.2
121.06519	26.1
121.10163	8.6
123.08023	1.6
123.11678	4.1
125.09639	2.8
127.07586	1.6
127.11175	4.1
131.08563	3.5
133.02812	1.7
133.06487	1.7
133.10133	9.9
134.03664	9.5
135.04399	4.1
135.08060	2.4
135.11681	5.5
136.05212	1.4
137.09581	1.6
139.11136	1.5
145.02837	34.6
145.10133	7.8
147.04410	4.0
147.11682	3.2
148.05168	1.4
149.02353	3.4
149.05986	61.4
149.09618	1.8
149.13248	4.1
151.07484	2.1
151.11171	8.6
153.12691	1.2
155.10638	2.6
159.04448	5.2
159.11690	5.2
161.02377	3.8
161.05949	3.0
161.13255	3.9
162.03113	12.4
163.03905	9.8
163.07579	3.5
163.11179	2.4
164.04662	1.6
173.02350	33.2
173.13286	1.4
175.03914	3.0
175.14874	1.6
177.05472	100.0
177.12698	2.3
177.16415	1.6
179.07027	2.0
181.08644	1.1
185.94510	1.1
191.03447	3.4
191.07039	3.4
192.04222	5.9
193.04930	2.8
194.49561	1.1
201.12794	1.8
201.16396	4.9
205.04959	73.8
207.06505	17.9
209.04477	2.3
209.07970	1.2
216.53165	1.1
219.06519	15.3
219.10077	2.8
219.13846	1.2
219.17404	8.3
228.10139	1.3
237.03813	1.3
237.05722	1.1
237.07562	24.7
237.11162	2.6
237.14709	5.5
237.18558	11.3
237.22038	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	235.1692
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03937	2.3
53.12105	0.9
55.01862	2.8
55.05520	8.3
56.96564	1.3
57.07078	12.2
58.22358	1.1
58.96112	2.5
59.04981	4.6
60.95842	1.2
67.05514	9.4
69.03432	6.1
69.07073	14.1
69.53812	6.0
71.04994	5.5
79.05492	9.2
81.07062	17.0
83.04966	3.8
83.08624	5.4
85.06547	4.8
91.05475	16.8
93.07053	17.4
95.04970	6.7
95.08610	18.3
97.06535	12.6
99.98792	2.1
103.05508	1.4
105.07030	31.7
107.04947	1.5
107.08603	33.1
109.06525	8.4
109.10162	15.2
111.08066	3.6
115.05431	2.0
117.07002	3.5
119.08588	94.4
121.06509	4.2
121.09348	2.3
121.10151	19.6
123.08069	6.7
123.11720	5.4
128.06230	2.2
129.06993	3.7
130.07785	1.4
131.08582	17.6
133.06473	2.0
133.10138	52.4
135.08060	18.0
135.11702	8.8
137.09621	8.8
139.11169	3.3
142.07764	4.5
143.08571	11.4
144.09349	2.8
145.06456	1.5
145.09068	1.2
145.10136	15.1
146.07240	2.5
146.10846	1.1
147.08063	6.8
147.11691	19.8
149.09633	3.9
149.13257	2.9
151.11218	9.7
155.08551	2.2
156.09322	2.2
157.10162	13.4
158.10927	4.3
159.08017	1.8
159.11685	12.9
160.08760	3.3
161.09627	62.3
161.13185	5.2
162.10368	1.3
169.10156	1.6
170.10892	1.5
171.11702	9.3
173.13268	22.8
175.11185	14.2
175.14830	20.8
177.12807	6.5
179.10693	11.5
184.12527	2.0
187.11214	3.6
187.14807	4.8
189.12724	2.8
189.16400	24.8
191.14308	3.8
193.15881	3.8
199.14838	13.5
202.13538	2.4
217.15884	100.0
235.06035	1.6
235.11319	2.5
235.16934	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
52.62672	0.9
53.03930	1.9
55.01861	1.2
55.05512	4.7
56.96550	0.9
57.03418	2.7
57.07059	3.2
59.04989	2.0
65.03938	1.4
67.05502	9.1
69.03431	14.3
69.07057	4.4
70.31423	1.3
70.31769	3.0
71.04982	4.8
79.05496	26.5
81.03419	1.2
81.07056	8.8
83.04961	3.1
83.08604	4.9
85.06547	7.4
91.05478	15.9
93.07048	12.2
95.04968	20.3
95.08607	6.7
97.06536	6.0
98.20856	1.4
103.05452	1.6
105.07037	18.9
107.04965	26.4
107.08595	20.3
109.06508	5.2
109.10172	5.8
111.04416	1.1
111.08065	3.0
112.22408	0.9
113.05999	2.7
115.05469	2.2
116.06192	1.3
117.07031	5.9
119.04926	1.3
119.08582	81.3
121.06508	4.7
121.10149	16.7
123.08062	4.0
123.11723	4.4
125.09648	2.8
129.07014	4.6
130.07750	2.6
131.04916	1.1
131.08577	16.6
133.06494	5.8
133.10141	15.2
135.08023	4.1
135.11699	2.6
137.05969	3.6
137.09599	7.4
141.06984	1.3
142.07751	2.5
142.13477	0.9
143.08530	4.1
145.06490	2.0
145.10130	27.0
146.07274	1.3
146.10875	0.9
147.04347	1.0
147.08057	27.3
147.10631	1.5
147.11694	12.2
149.09616	11.7
149.13271	2.3
151.03856	1.3
151.11208	1.4
153.09178	1.1
155.08553	2.7
156.09355	5.4
157.10138	10.2
158.07263	1.1
158.10904	2.4
159.08051	5.3
159.11705	5.3
160.08809	1.8
161.06006	1.1
161.09657	1.5
161.13307	5.4
163.11171	5.2
163.14819	2.4
167.08568	2.9
169.10103	2.4
171.11674	5.5
172.12529	1.3
173.09616	7.6
173.13266	13.4
174.10394	1.1
175.11194	14.8
177.05557	1.0
177.09128	4.1
182.10905	4.8
186.10342	1.0
187.07571	1.1
187.11172	2.0
187.14853	11.0
189.09052	1.6
189.12743	7.0
189.16273	0.9
191.03432	10.2
191.10637	1.2
191.14311	29.5
197.13199	10.6
200.12015	1.1
205.08479	1.1
205.15906	3.3
215.06975	2.0
215.14349	21.1
219.96243	0.9
233.08064	8.1
233.11649	3.7
233.15363	100.0
233.23039	5.8
234.40704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03934	1.3
53.91485	0.5
55.01871	0.5
55.05504	3.1
56.96568	1.2
57.07063	1.6
58.42971	0.5
59.05007	0.6
60.77415	0.5
67.05500	2.0
69.03432	5.1
69.07053	1.3
70.23310	1.4
70.98119	0.7
71.04978	1.5
77.03921	0.7
79.05496	32.2
81.07058	3.2
83.04971	1.7
83.08617	3.1
85.02893	0.9
85.06546	3.7
87.61498	0.5
91.05482	4.7
93.07046	5.4
95.04982	3.3
95.08598	2.8
97.06538	1.6
102.73952	0.5
103.05477	1.6
105.04507	0.6
105.07041	9.2
107.04961	34.2
107.08595	7.3
109.06506	2.0
109.10155	0.6
111.08075	3.2
113.05981	1.8
115.05441	0.8
117.07024	3.3
119.07723	0.6
119.08582	11.5
121.06499	1.2
121.10148	5.0
123.08054	1.3
125.09624	2.1
129.06999	1.5
130.07788	1.0
131.08569	11.9
133.06511	0.9
133.10133	8.1
135.08047	2.2
135.11745	0.7
137.09625	5.4
142.07759	1.4
143.08546	2.6
145.06516	0.6
145.10129	11.4
146.10905	0.5
147.08054	15.8
147.11700	13.9
149.09636	6.4
149.13278	2.9
153.09103	1.1
155.08517	1.1
156.09325	1.1
157.10118	7.7
158.10915	1.5
159.08052	0.7
159.11684	1.8
160.08838	1.5
163.11168	4.1
169.10150	0.5
171.11729	2.5
172.12486	1.0
173.09631	1.0
173.13286	9.4
175.11189	21.3
177.09158	0.6
182.10965	1.2
187.14821	4.3
189.12740	7.2
191.03680	1.1
191.14314	44.4
197.13210	2.6
215.07179	0.5
215.14314	8.7
233.08020	1.2
233.15375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82574	0.4
54.21832	0.6
58.14108	0.5
71.53526	1.0
78.95590	0.5
84.22844	0.5
90.99859	0.4
94.92991	1.0
163.22755	0.5
190.91228	0.9
218.39925	0.5
223.90002	0.5
233.06331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
52.27498	1.2
55.05488	3.7
56.96553	2.4
57.03421	1.4
57.07060	3.2
59.04984	1.5
67.05501	8.8
68.84081	1.2
69.03433	14.5
69.07056	5.1
71.04967	2.0
71.56245	1.7
76.59847	1.0
77.03891	1.6
79.05491	16.2
81.03423	1.9
81.07059	11.1
83.04946	3.3
83.08591	2.4
85.06529	2.2
91.05483	16.9
93.07039	13.2
95.04968	27.2
95.08609	5.7
97.06544	7.5
103.05465	2.8
105.07034	20.4
107.04952	11.1
107.08599	16.7
109.02841	2.1
109.06516	7.4
109.10159	8.2
111.04410	2.8
111.08074	2.6
115.05437	2.5
117.07035	7.1
119.04913	3.1
119.08582	100.0
121.06518	6.3
121.10147	18.2
123.08062	3.7
123.11705	4.7
128.06209	1.7
129.06996	5.6
130.07727	1.6
131.04932	3.4
131.08554	15.4
133.06474	7.4
133.10155	9.2
135.04375	1.3
135.08031	5.2
137.05965	6.7
137.09615	2.3
141.06981	2.2
142.07742	1.6
143.08553	3.5
144.09338	2.3
145.06429	5.7
145.10121	19.1
147.04370	2.1
147.08083	2.7
147.11681	6.4
149.09622	10.4
149.13200	1.7
151.03952	2.5
151.11134	1.9
152.05513	1.2
155.08525	3.2
156.09322	3.7
157.06557	1.4
157.10117	7.3
158.07309	1.8
158.10898	2.6
159.08037	5.4
159.11676	8.8
160.05121	1.3
161.05902	1.5
161.09590	1.8
161.13319	2.3
167.08549	3.1
169.10019	2.5
171.11679	6.3
173.02335	1.6
173.05951	1.7
173.09651	8.8
173.13275	12.5
174.10304	1.6
175.11195	4.1
175.14792	1.6
177.09117	3.6
179.03432	2.4
182.10905	6.3
186.99251	1.4
187.07587	2.1
187.11221	4.6
187.14790	6.9
189.09029	2.3
189.12697	7.0
191.03403	26.6
191.07050	1.8
191.10689	1.5
191.14313	12.0
197.13293	9.8
205.15919	1.5
215.07101	2.8
215.10750	2.2
215.14326	18.6
215.17839	3.1
233.04437	1.9
233.08035	17.5
233.11795	7.0
233.15363	67.7
233.18745	5.6
233.22968	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	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94577	0.7
68.87724	0.7
70.01923	2.7
89.67709	0.7
128.08832	0.6
134.75308	0.6
161.75409	0.8
212.05295	0.7
233.06337	100.0
234.06630	0.7
245.92625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1697
Annotation	Rotundine A
Peak:m/z	Relative Intensity
55.05508	2.9
56.96545	1.9
57.03434	3.1
67.05499	18.3
69.03423	2.0
69.07059	1.9
69.66533	2.5
69.66946	4.3
70.06561	1.3
71.08619	3.0
74.90520	1.2
79.05494	3.1
81.07053	4.8
83.08607	1.7
84.08150	2.9
85.02916	1.5
85.31509	1.2
86.09717	1.7
90.57929	1.1
91.05466	5.1
93.07027	5.3
94.06559	3.7
95.04988	2.6
95.07331	3.3
95.08596	10.0
96.08134	35.7
97.02901	2.1
98.97567	7.4
105.07014	4.7
107.08591	4.1
108.08121	22.7
109.06520	2.7
109.10162	33.7
117.07025	1.8
119.08578	9.7
120.08092	3.2
121.06494	1.3
121.08905	1.7
121.10163	2.4
122.06035	26.2
122.07280	3.0
122.09668	16.8
123.08042	2.1
124.07600	5.9
131.08566	4.7
133.10136	3.7
134.09641	3.9
135.10445	2.2
136.07477	1.3
136.11214	23.3
137.09619	23.8
138.09154	2.2
142.94002	1.1
143.00171	1.8
143.08586	1.6
144.08099	1.6
145.08934	2.5
145.10098	5.0
146.09608	6.8
147.10526	1.6
147.11638	5.8
148.11232	10.1
156.09349	1.6
157.10141	2.0
158.09645	4.4
158.10861	1.4
159.10355	1.7
159.11592	2.3
160.11211	19.2
161.12019	3.0
162.09120	1.4
162.12801	1.7
171.11710	2.4
172.11203	6.0
172.12482	2.5
173.12007	31.8
173.13300	4.8
174.12805	9.8
175.11206	2.6
175.13498	2.9
176.10666	2.4
176.14397	2.1
184.11298	2.3
185.03859	2.7
186.05536	1.3
186.12943	1.4
187.14856	3.0
188.14349	67.9
189.00745	1.4
189.11362	1.5
190.12267	5.8
190.15947	6.9
198.12775	1.9
199.13557	5.4
204.17438	4.1
214.15926	13.2
215.14328	4.2
219.94456	1.2
232.09584	2.8
232.16968	100.0
249.02846	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0652
Annotation	2,3-Dihydroxy-2'-carboxybiphenyl
Peak:m/z	Relative Intensity
51.77695	0.3
53.03941	0.5
56.96546	0.4
57.07084	0.4
69.03436	2.0
69.07092	0.4
71.04986	0.4
81.03441	1.1
81.07043	0.8
85.02917	1.1
85.74493	0.3
87.00857	0.4
91.03877	0.4
91.05485	2.5
93.07059	0.5
95.08627	0.4
97.06532	0.4
98.20704	0.6
98.98514	0.4
101.63712	0.4
103.05447	2.2
105.07038	1.1
107.08610	0.4
109.02896	0.4
109.10144	0.5
111.17906	0.3
115.05454	13.5
117.07024	4.5
119.08591	0.5
127.03925	0.6
127.05441	0.6
128.06227	20.9
129.07004	100.0
130.07353	0.6
131.04909	0.8
131.08569	2.8
133.10127	0.6
142.07773	0.5
143.04930	10.7
143.08609	0.8
145.06499	5.3
145.10126	0.5
147.04402	0.4
155.04900	3.0
155.06053	3.6
157.06488	47.7
159.04413	3.3
159.08072	0.9
161.05984	1.0
171.04433	0.9
171.08133	0.5
171.11710	0.4
172.05188	4.6
173.05986	34.3
173.50812	0.4
174.18491	0.5
175.07573	2.1
183.04373	1.8
185.05980	25.3
185.13298	0.4
187.07542	36.6
198.09062	0.8
201.05461	2.0
203.03310	0.4
203.06953	0.8
213.05438	7.0
213.09000	0.4
213.16415	0.7
231.06505	26.9
231.10197	1.3
231.13689	2.0
231.17409	0.7
231.21059	0.5
231.25142	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03928	4.6
55.01865	6.2
55.05505	21.8
56.96571	4.4
57.03424	11.7
57.07061	5.4
57.58642	3.2
59.05003	3.7
62.93901	2.8
67.05505	43.3
69.03425	7.1
69.07076	30.3
69.56545	10.8
69.56956	8.7
70.06596	2.8
71.01357	5.3
71.04987	34.3
71.31594	2.8
71.34958	2.5
73.02924	3.7
74.58342	2.7
79.05503	45.0
81.06593	5.7
81.07059	92.5
83.04964	8.7
83.08607	26.2
85.02879	5.5
85.06556	16.5
87.04465	6.3
91.05489	24.5
93.07044	54.1
95.04980	24.8
95.08610	88.0
97.06521	11.4
98.97558	9.0
99.04432	11.0
99.08099	95.8
103.05470	5.7
105.03398	3.5
105.07035	64.6
107.04968	6.9
107.08594	59.8
109.06517	34.8
109.10159	100.0
110.97590	4.9
111.04430	5.5
111.08073	11.6
111.11703	4.1
113.06038	3.9
113.09634	5.0
115.07578	10.5
117.07046	8.3
119.04977	3.3
119.08585	48.6
121.06537	18.1
121.10149	16.3
123.08061	18.3
123.11713	12.2
125.05968	3.0
127.07558	8.8
127.11204	12.9
133.06490	32.7
133.10117	34.7
135.04399	3.8
135.08012	8.4
135.10707	6.3
135.11691	92.5
137.09613	17.3
139.07454	2.9
145.10097	3.9
147.11674	11.4
149.05991	30.0
149.09660	3.4
149.13269	6.5
151.07530	19.3
151.11165	13.3
151.14839	4.0
153.09106	25.5
153.12738	47.6
155.10686	33.2
161.06015	25.2
167.07045	4.2
169.08647	5.1
171.13809	26.4
173.09595	4.0
173.11813	5.7
175.11279	4.2
175.14847	49.4
179.07051	55.9
185.40054	2.8
193.08530	4.0
193.12253	8.4
193.15889	31.1
197.08076	43.3
211.09631	6.7
211.13359	8.2
211.16934	63.1
229.08682	7.4
229.14220	5.8
229.17928	16.8
240.94435	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	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
51.02007	1.1
52.25173	0.9
53.03934	1.1
55.01868	1.8
55.05512	33.1
56.00801	0.9
56.66779	0.9
56.96546	2.6
57.03444	11.7
57.07081	5.4
59.05000	7.3
65.03927	1.5
67.05507	69.2
69.03430	10.6
69.07069	13.7
71.04991	7.8
71.55503	0.9
79.05485	5.4
81.03407	1.6
81.07059	19.7
83.04511	1.9
83.04987	33.1
83.08623	25.0
83.51688	1.0
85.06084	1.2
85.06547	15.3
86.09679	1.1
87.04464	2.3
91.05476	7.6
93.07042	15.1
95.04996	5.5
95.08611	15.1
97.06496	1.4
97.10171	4.5
98.97564	3.8
99.00815	1.1
99.04462	1.4
99.08097	9.1
101.06010	4.6
103.05457	1.2
105.07046	7.6
107.07898	1.2
107.08599	20.9
109.06487	3.2
109.10160	100.0
111.08099	6.3
113.05987	1.4
113.09668	1.3
115.05450	2.1
116.98589	1.9
117.06976	2.5
119.08590	11.0
121.10154	7.5
123.08065	1.5
123.11706	22.0
125.09631	9.9
127.10314	1.4
127.11195	21.2
129.06955	2.0
131.04837	1.0
131.08542	2.1
133.10110	7.9
135.10736	0.9
135.11696	15.9
137.09595	5.1
139.11159	1.3
141.06894	1.6
141.12703	1.7
145.06436	0.9
145.10106	2.8
147.04413	1.0
147.11633	3.4
149.09648	1.1
149.13257	10.4
151.11197	7.1
151.14835	1.6
153.06972	2.5
153.12753	4.4
154.07751	1.4
155.08589	8.3
155.10649	4.5
157.10098	2.2
158.99719	1.3
159.11708	1.5
160.05170	1.9
163.14853	1.1
165.06985	2.5
165.12741	2.0
167.13020	1.6
167.14319	20.7
169.12244	25.9
173.05997	6.1
173.09546	2.3
173.11743	16.8
173.13199	1.9
174.03131	2.7
175.14793	6.6
179.98383	1.9
183.08022	5.3
185.05928	1.3
185.15390	8.0
186.06744	2.5
187.03870	2.1
187.07504	3.5
193.15923	11.6
197.99527	4.7
201.05576	1.3
201.09076	7.6
201.12285	1.3
205.98657	1.3
208.15884	1.0
211.07503	4.1
211.16933	61.8
229.05003	4.7
229.06941	1.0
229.08575	21.1
229.12231	3.6
229.14284	34.7
229.17787	10.0
229.23444	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
54.90242	0.9
55.05272	1.1
55.05513	10.9
56.96578	1.1
57.03434	1.9
57.07081	2.0
59.05012	2.7
67.05509	18.0
69.03426	1.5
69.07069	10.4
69.76360	1.7
69.76769	3.0
71.05001	10.5
76.98024	0.9
79.05502	4.7
81.07053	13.6
83.04996	2.8
83.08616	12.7
85.06547	4.2
87.04463	2.1
91.05482	3.8
93.07044	15.9
95.04969	13.0
95.08614	36.6
97.06538	4.1
98.97599	1.4
99.04445	9.3
99.08098	100.0
105.07021	4.9
107.08595	21.0
109.06519	1.4
109.10160	52.6
111.08067	5.1
111.11720	2.5
113.06025	2.2
113.09641	2.8
117.09112	2.4
119.08595	12.1
121.10134	4.9
123.08075	2.4
123.11704	5.8
125.05983	0.8
125.09647	1.6
127.11214	6.3
133.10132	9.3
135.11702	37.5
137.09604	14.3
147.11685	1.5
149.13274	3.0
151.11188	1.6
151.14819	2.6
153.12744	18.5
155.10675	24.6
157.10214	1.1
165.16457	1.0
171.13828	7.7
173.11794	1.1
175.14835	14.0
179.07040	1.2
193.15901	15.0
197.35086	0.9
211.16945	43.6
229.05066	1.3
229.14137	1.8
229.17923	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	229.1549
Annotation	Pro Ile
Peak:m/z	Relative Intensity
51.42997	0.2
55.01867	0.5
56.96552	1.0
57.03424	0.4
58.06598	4.4
59.07378	1.2
60.08167	6.1
61.02919	0.5
62.84028	0.3
68.05029	0.9
69.03423	0.4
69.55505	1.8
70.06596	28.2
70.99826	0.2
71.04941	0.2
72.08172	0.7
73.02906	0.4
76.83296	0.2
77.10532	0.3
79.05492	0.3
81.30526	0.2
82.99859	0.6
84.08121	0.4
85.02925	0.4
95.04935	0.4
96.08125	1.1
97.02866	0.4
97.87531	0.3
98.01286	0.5
98.06049	0.9
98.97564	1.5
101.00889	3.7
111.02073	0.4
113.00856	0.6
114.05521	3.0
114.09173	1.4
115.02442	0.3
116.07080	0.7
116.98614	0.3
119.01920	4.6
119.39884	0.2
120.02585	0.6
121.01633	0.3
123.67363	0.2
124.07603	2.2
126.09155	0.6
126.98797	0.4
129.03125	1.5
131.01875	0.8
132.10168	0.2
133.01549	0.4
133.03455	0.4
137.02971	0.5
142.08640	28.2
143.01884	0.6
144.99826	0.5
145.03516	0.5
147.01237	0.5
158.04826	0.3
161.02986	0.6
168.99809	0.9
169.02534	2.5
170.08144	1.4
175.02737	0.5
177.00641	0.3
178.03094	0.9
187.00900	1.4
187.02412	0.3
187.04602	0.6
189.05669	0.3
191.03856	0.5
193.21536	0.3
196.99402	0.4
199.03680	0.5
205.05611	0.3
205.98877	0.3
215.00433	1.5
220.03955	0.4
229.15479	100.0
230.15797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
54.94786	0.6
55.01875	1.2
55.05515	9.6
57.03441	19.1
57.07080	2.1
59.05005	7.0
60.09159	0.7
60.61932	0.6
65.03961	0.9
67.05508	100.0
69.03440	1.4
69.07083	3.2
70.67920	1.3
70.68244	1.0
71.04993	4.5
72.71946	0.6
79.05495	3.1
81.03411	3.4
81.07056	15.2
83.04967	1.0
83.08626	8.7
83.12136	0.7
84.39291	0.7
85.02912	1.4
85.06535	3.1
87.04493	0.8
91.05488	9.5
93.07033	5.9
95.04978	2.6
95.08610	7.2
96.21543	0.8
97.06525	0.8
103.03963	0.8
105.03376	1.1
105.07037	2.8
107.08602	4.2
109.06554	0.8
109.10162	90.0
111.08099	4.0
111.93459	0.7
117.07028	1.5
119.08577	10.2
121.10147	1.9
123.11714	1.0
125.09650	0.9
129.07016	1.3
130.28432	0.8
131.08560	3.7
133.10141	2.7
135.11768	0.8
137.09621	4.9
141.06963	1.0
145.10100	2.9
147.11682	1.6
151.03963	1.2
155.08667	0.8
155.10655	10.5
157.10101	1.6
159.11682	3.0
171.11732	1.2
173.11774	29.3
173.13260	4.6
175.11127	1.0
175.71463	0.8
183.08080	0.8
186.14018	0.8
187.14931	1.6
193.12250	3.8
201.16341	0.8
211.07593	1.6
211.13260	4.6
211.14978	1.0
229.06522	1.6
229.08539	3.4
229.12422	1.7
229.14291	41.6
229.19502	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	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
51.86261	2.5
55.01865	4.6
55.05513	33.9
57.03440	20.1
57.07080	3.9
59.04985	4.9
67.05507	98.1
69.03416	9.1
69.07054	10.0
70.10941	7.3
71.04977	8.4
76.37655	2.2
79.05502	19.0
80.30730	2.4
81.03421	69.2
81.07062	34.7
83.04979	24.8
83.08212	3.0
83.08623	28.3
85.02913	14.5
85.06524	7.7
91.05487	27.5
93.07049	16.9
94.42715	2.0
95.04968	21.7
95.08613	20.5
97.02888	4.7
97.06535	4.2
97.10154	6.9
98.97576	3.1
99.00813	3.8
99.08076	5.8
105.07018	16.9
107.04955	3.9
107.08594	11.2
109.06506	5.2
109.10157	85.1
111.04426	2.8
111.08085	17.3
113.06037	3.6
117.07013	4.0
119.08597	22.7
121.10150	9.7
123.11710	4.8
129.06995	8.1
131.08560	7.4
133.06534	3.1
133.10118	10.7
135.11667	3.3
137.09653	7.0
142.07797	5.9
145.10106	4.9
147.11644	12.3
149.09618	7.5
155.10645	7.1
157.10135	14.3
161.20255	2.7
165.12743	4.3
169.12250	3.4
171.88660	2.4
173.11743	22.3
175.11200	15.4
179.05168	2.6
184.52032	2.2
193.12260	77.6
193.14087	3.9
201.09026	3.8
211.13293	100.0
211.16626	4.4
229.08615	9.2
229.12149	5.4
229.14235	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03940	2.7
54.38181	1.5
55.01862	2.1
55.05513	7.7
57.03421	5.2
57.07057	4.8
59.05006	7.0
65.03935	1.8
67.05507	11.2
69.03423	10.0
69.06802	1.2
69.07072	13.4
71.04993	24.0
71.21171	3.2
73.02899	1.8
73.06558	2.0
74.92368	1.3
79.05497	15.2
81.07057	20.6
83.04974	8.7
83.08591	5.1
85.02894	2.2
85.06074	2.3
85.06548	25.2
87.04480	1.5
91.05482	10.8
93.06490	1.8
93.07048	26.1
94.44991	1.3
95.04971	100.0
95.08597	17.2
97.06535	21.6
97.10168	4.4
99.04452	16.4
99.07504	2.0
99.08094	27.3
100.11295	1.9
101.00869	1.7
103.05452	2.7
105.07024	14.3
107.04956	1.7
107.08593	27.8
107.61240	1.3
109.06525	24.5
109.10178	10.7
109.18613	1.6
111.04438	2.8
111.08088	8.2
113.05984	2.7
113.09642	3.0
115.07586	11.4
117.07018	2.4
119.01929	2.3
119.08581	11.5
120.94032	1.5
121.06449	7.0
121.09332	2.1
121.10148	27.3
123.08051	4.4
123.11673	7.7
125.05979	2.5
125.09630	30.0
127.07557	11.9
131.08571	17.3
133.10136	35.8
135.08015	6.0
135.11734	7.1
137.09604	5.2
139.07509	1.7
139.11197	11.9
143.01884	8.6
143.10678	4.1
144.02095	1.6
145.10123	7.7
147.08072	1.8
147.11703	9.9
148.05441	1.9
149.05963	6.7
149.09631	17.1
149.13263	10.1
151.11194	8.7
153.05434	1.6
153.07916	2.6
153.09100	35.6
155.06905	2.6
158.10905	2.6
161.02919	5.2
163.11165	3.8
163.14813	6.4
165.09138	2.6
165.12711	2.2
167.07001	2.7
167.10661	12.6
171.10179	14.3
173.13277	17.5
177.05496	2.7
178.06581	2.0
178.42905	1.4
178.56496	1.5
181.04929	4.0
191.07082	1.5
191.10667	12.8
191.14301	22.8
203.03963	1.7
206.09703	1.7
209.08232	1.8
209.11833	10.8
209.15356	36.5
227.12999	7.0
227.16409	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03947	3.9
53.49562	3.0
54.81951	2.9
55.01874	3.5
55.05516	20.6
57.03419	5.8
57.07060	7.6
58.24810	2.6
59.67680	2.8
67.05492	11.3
69.03416	10.0
69.07074	17.1
69.38540	4.5
69.38952	19.0
71.04988	11.2
72.66074	2.5
73.02938	3.3
79.05507	17.1
81.03407	3.2
81.07055	26.5
83.01342	9.9
83.04990	17.4
83.08593	10.5
85.02894	4.9
85.06534	7.5
86.09695	6.5
91.05474	10.6
93.07052	30.0
95.04945	9.5
95.08600	19.4
97.02897	7.7
97.06536	15.6
97.10178	5.2
98.97573	6.0
99.04455	15.0
99.08100	48.2
100.11264	5.8
101.00854	3.3
101.06020	9.3
105.07023	23.7
107.04948	12.6
107.08598	53.6
107.29675	3.1
109.06512	13.2
109.10154	18.0
111.04455	2.9
111.08067	11.1
119.01927	6.7
119.08575	12.1
121.06499	10.0
121.10147	67.4
123.08085	13.3
123.11697	9.0
125.09636	22.1
131.01936	4.0
131.08566	15.3
133.10143	43.1
135.04433	6.0
135.08066	19.0
135.11659	10.2
136.08806	4.4
137.05986	12.6
137.09644	15.3
137.13203	3.5
139.07549	8.9
139.11186	9.3
143.01912	11.5
145.10133	4.7
147.11649	6.9
149.09628	79.6
149.13271	24.9
151.11197	28.7
153.09114	8.2
158.10959	3.7
161.02956	11.9
162.04370	7.3
163.04007	4.0
163.11189	3.8
163.14832	22.9
165.12729	3.4
167.07031	18.1
167.10605	3.5
173.13263	21.9
176.08630	3.6
181.15883	8.0
191.14317	50.8
197.09138	5.2
206.09732	4.3
209.15359	100.0
227.12668	3.5
227.16396	9.1
228.06523	3.7
238.30344	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	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
51.97248	0.8
53.03914	1.0
55.01855	1.1
55.05510	5.8
57.03433	6.2
57.07053	3.1
59.04984	2.3
67.05508	9.1
69.03432	7.8
69.07063	7.6
70.59761	2.9
71.04993	15.8
73.06545	2.3
74.14870	0.9
75.04456	2.9
79.05492	11.2
81.03410	1.3
81.07059	10.0
83.04963	4.8
83.08125	1.0
83.08613	2.7
85.06543	20.7
86.09702	1.9
91.05467	6.6
93.07049	14.6
95.04968	100.0
95.08599	10.0
97.06538	18.5
97.10161	4.8
98.97578	1.7
99.04450	14.6
99.08099	17.0
100.11231	2.9
105.07019	8.6
107.04961	1.9
107.08597	18.6
109.06515	11.4
109.10152	8.8
111.04430	3.5
111.08056	2.8
113.05981	1.2
115.07553	2.6
117.07043	1.4
119.08591	7.3
121.06488	4.8
121.10145	15.0
123.04376	1.3
123.08101	2.1
123.11668	3.1
125.05902	1.8
125.08784	1.3
125.09635	19.9
127.07561	6.7
128.02322	0.9
131.08568	13.5
133.10132	21.6
135.08014	3.8
135.11694	4.1
137.05952	1.5
137.09619	1.2
139.07579	0.9
139.11177	8.4
143.10686	5.0
145.10109	6.2
147.11685	7.1
149.06027	1.5
149.09619	12.5
149.13258	5.3
151.11206	5.1
153.05510	1.2
153.09102	35.9
153.12714	1.0
158.99614	2.0
163.11186	5.6
163.14806	5.1
165.09114	2.1
165.12726	1.9
167.07077	5.7
167.10738	5.9
171.10167	14.7
173.09650	1.6
173.13274	10.7
177.05470	2.9
181.04980	0.8
186.42014	0.9
191.10674	10.8
191.14305	10.6
195.06015	4.7
204.06468	1.7
209.08023	2.0
209.11795	9.6
209.15350	25.8
227.12996	5.8
227.16396	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	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03948	1.2
55.05503	3.4
57.03445	4.5
57.07062	0.8
57.86094	0.6
59.05004	1.0
67.05497	3.0
69.03422	1.8
69.07058	4.2
69.35017	5.7
71.04990	7.8
74.96519	0.7
75.04482	3.5
79.05505	4.0
81.03418	0.9
81.07064	5.9
83.04984	2.3
83.08621	2.5
85.02898	0.9
85.06544	2.5
91.05489	2.6
93.07048	6.5
95.04971	100.0
95.08605	5.3
97.02901	1.3
97.06533	16.4
97.10168	1.3
99.04458	18.2
99.08104	8.4
100.09441	0.8
100.11252	2.2
101.00860	0.7
105.07008	4.3
107.08598	8.0
109.06522	10.7
109.10152	4.9
111.08089	2.0
115.07555	3.5
119.08611	4.0
121.06519	1.9
121.10155	8.0
123.08084	2.1
123.11727	2.4
125.09628	5.0
127.07590	3.8
131.08568	2.7
133.10143	15.2
135.08096	3.1
135.11691	2.5
139.11186	4.7
143.01936	2.0
145.10123	1.8
147.11676	4.3
149.09662	2.6
149.13277	3.3
151.11188	2.8
153.09111	35.1
153.12698	1.9
161.02966	1.7
163.11195	0.8
163.14824	2.2
163.64397	1.1
165.12767	0.8
167.07065	5.1
171.10188	3.8
173.13254	8.4
177.05464	1.2
191.14304	9.5
206.09708	1.4
206.59850	1.1
209.11926	1.1
209.15363	20.8
213.17816	1.9
215.60437	1.1
227.12837	1.2
227.16367	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	227.1278
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
55.01854	5.4
55.05511	46.1
57.03425	4.7
59.02662	1.7
59.04979	1.9
59.22164	1.6
67.05509	24.7
68.99797	9.6
69.03428	9.4
69.07069	12.0
70.30928	6.4
71.04979	2.2
74.89773	1.6
79.05494	26.9
81.03419	3.3
81.07060	25.6
83.04976	11.9
83.08622	49.5
85.06510	4.8
85.10172	7.0
85.16165	1.8
91.04984	2.1
91.05490	31.0
93.06577	1.9
93.07048	23.3
95.04973	34.8
95.08588	7.3
96.74818	1.5
97.06506	3.2
97.10181	38.7
100.11243	7.5
101.02378	11.1
103.05491	2.7
105.07013	5.6
107.04946	4.6
107.08596	65.1
109.05810	2.2
109.06522	30.9
109.10158	16.9
111.04462	8.5
111.08087	93.6
117.07007	3.0
119.03425	2.9
119.08585	2.9
121.06483	4.4
121.10126	6.9
123.04433	1.8
125.06075	1.7
125.09637	51.2
127.07581	2.6
127.12696	1.6
128.06190	1.8
131.04948	2.0
131.08566	3.6
133.10158	2.7
135.08046	20.9
135.11670	5.9
137.05981	13.8
140.04675	2.2
141.06969	2.1
143.08525	4.2
145.10081	4.5
149.06015	2.8
149.09604	9.9
151.07512	5.7
153.09109	65.3
153.12724	5.8
155.07056	9.6
155.08354	1.7
157.10132	2.7
163.11180	6.9
167.07053	22.7
167.10635	6.5
169.08609	86.0
171.10156	4.1
171.11644	2.8
177.05466	7.0
177.09105	4.1
181.04974	2.7
181.12234	4.6
185.11746	27.5
185.13268	3.3
189.11241	18.1
191.10728	3.5
191.14311	3.6
195.10172	75.4
209.08072	2.8
209.11700	6.9
227.07047	4.4
227.10709	4.3
227.12759	100.0
227.17671	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03941	1.3
55.01858	2.9
55.05508	2.7
57.03429	2.6
57.07086	6.0
59.88232	1.1
65.03930	1.4
67.05183	1.6
67.05511	26.1
69.03419	1.7
69.07060	5.0
69.59091	5.2
69.59499	1.8
71.04649	1.7
71.04998	18.0
79.05071	2.0
79.05502	21.7
81.07066	6.1
83.04978	5.5
85.03584	1.1
85.06550	100.0
91.05482	14.3
93.07045	20.5
95.04961	5.5
95.08589	2.6
97.06521	4.2
99.08086	4.5
105.07045	16.6
107.04964	9.1
107.08605	24.5
109.06500	4.3
111.04449	13.4
117.07045	8.4
119.08588	15.8
121.06518	14.6
121.10152	17.9
123.04383	2.1
123.08090	1.8
125.05997	7.6
125.09646	1.3
127.07487	1.3
129.07016	5.2
130.07845	1.4
131.08574	60.7
133.10104	3.0
135.08018	2.6
135.11682	7.2
137.05969	1.9
137.09618	7.6
139.07574	1.7
145.06490	1.4
145.10130	25.8
147.07986	5.2
147.11702	2.2
149.06003	2.9
149.09630	61.8
153.05486	4.3
155.07047	2.9
163.07565	2.8
163.11197	22.5
165.09099	10.0
167.07030	2.3
167.10684	30.0
173.09628	6.6
179.10675	3.0
184.51353	1.2
191.10686	58.1
197.11751	2.3
198.48373	1.3
209.11745	64.8
227.12805	30.8
232.20964	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03940	1.4
55.01866	5.1
55.05278	1.4
55.05516	18.8
56.96542	1.3
57.03431	2.3
57.07054	1.6
67.05177	1.5
67.05505	19.2
67.98391	0.9
69.03415	2.1
69.07076	10.3
71.04978	2.8
71.56196	1.4
73.02928	1.4
79.05495	26.1
81.03407	3.5
81.07057	21.9
83.04968	5.2
83.08163	1.2
83.08621	12.4
85.06544	1.9
91.05491	8.9
93.07045	33.3
95.04977	6.9
95.08605	34.6
97.02895	3.3
97.06503	3.8
97.10181	8.5
99.04432	3.4
100.11260	9.1
105.07031	6.8
107.04392	1.0
107.04974	9.8
107.08596	25.6
109.06503	2.1
109.10172	3.5
111.04435	1.1
115.05492	1.2
116.06343	0.9
117.07024	9.2
119.08583	7.5
119.84711	1.1
121.06511	4.6
121.10134	13.9
123.08064	1.3
125.05979	2.8
125.09612	8.1
129.06995	2.1
131.08586	1.5
133.10129	3.2
135.08029	3.2
135.11699	43.2
137.05978	1.6
139.07533	1.9
143.08522	2.7
145.09050	1.9
145.10117	24.7
149.09636	1.1
153.12772	1.5
157.10136	1.8
163.11182	63.4
167.07027	1.8
170.16805	0.9
171.11613	1.6
173.09639	1.3
173.13249	1.6
181.12238	14.3
189.11185	3.9
191.10638	1.1
209.11723	3.4
227.10767	4.3
227.12762	100.0
227.17542	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03940	2.7
55.01874	4.8
55.05515	13.2
57.03428	2.5
57.07070	1.1
65.03944	0.8
67.05508	16.1
69.03431	1.8
69.06800	0.7
69.07072	7.8
69.53350	5.3
71.04978	2.1
73.02904	1.7
74.41182	0.8
75.87629	0.8
79.05498	24.1
81.03405	2.3
81.07060	18.1
82.22422	0.8
83.04989	4.3
83.08224	0.8
83.08627	9.4
83.40847	0.7
91.05477	7.8
93.07044	34.7
95.04968	6.2
95.07992	1.9
95.08607	38.8
97.02904	4.3
97.06524	3.2
97.10173	1.0
99.04438	4.3
100.11261	1.6
100.63479	0.8
103.05507	0.9
105.07034	7.5
107.04959	8.9
107.08591	26.5
109.06506	2.0
109.10156	3.0
111.04440	2.3
111.08099	1.8
113.06021	0.9
117.07024	7.9
119.08586	8.9
121.06510	4.9
121.10149	10.5
123.01752	0.7
123.08038	0.9
125.05963	2.7
130.07808	1.8
133.10112	1.5
135.08064	1.5
135.11697	46.1
139.07544	2.1
143.08522	1.1
145.10135	23.4
153.12766	1.8
153.19910	0.8
155.08502	0.8
163.11186	67.5
167.07048	5.4
173.09587	1.5
177.05530	1.7
181.12230	15.2
209.11786	2.5
223.12360	0.8
227.12788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03949	1.8
55.01855	3.2
55.05508	6.6
56.96530	1.0
57.03433	3.8
57.07073	6.8
59.04993	1.1
65.03941	2.1
67.05505	27.5
69.03426	3.6
69.07071	9.3
70.66982	0.8
70.79743	2.0
71.04996	20.3
79.05491	29.0
81.03407	1.7
81.07057	12.5
83.04987	9.4
83.08607	3.6
85.06544	100.0
91.05474	17.7
93.06481	1.7
93.07047	31.2
95.04964	12.0
95.08608	11.2
97.06525	7.0
97.10183	1.8
98.97591	7.2
99.04449	6.7
99.08087	8.0
100.11271	6.0
101.06001	1.1
105.07034	19.7
107.04955	13.2
107.08595	42.2
109.06516	9.2
109.10152	8.2
111.04452	12.3
111.08076	3.2
116.98632	2.0
117.07011	8.0
119.07799	1.7
119.08587	19.3
121.06505	18.3
121.10147	32.8
123.04426	2.6
123.08077	8.4
123.11700	3.3
125.05991	8.2
125.09641	8.4
127.03886	1.0
129.06999	7.3
130.07764	1.6
131.08568	61.2
133.10132	9.1
134.82726	0.8
135.04442	1.4
135.08038	6.6
135.11674	7.1
137.05977	1.8
137.09612	10.4
137.13185	0.9
139.07549	2.3
139.11177	2.7
143.01923	1.1
143.08524	1.4
144.08124	1.1
145.06451	1.8
145.10123	30.4
147.08043	6.7
147.11688	2.7
149.04962	1.2
149.06007	4.1
149.09622	68.2
149.13260	4.3
151.11168	6.6
153.05460	3.3
153.09065	6.4
155.07071	2.9
155.08527	1.6
158.11057	1.0
158.99660	3.6
163.07570	3.4
163.11176	23.4
163.14838	5.7
165.09134	9.1
165.12752	1.1
167.07101	6.1
167.10680	33.7
173.09584	7.5
173.13261	6.3
175.14919	1.0
177.00705	2.4
177.05551	1.5
179.10759	1.6
181.12340	1.2
183.13823	1.6
191.10670	59.2
191.14270	9.9
195.06433	1.1
198.76186	0.8
199.08688	1.5
209.11736	60.0
209.15056	9.5
215.09381	1.1
227.07149	1.0
227.10524	1.9
227.12787	34.5
227.16409	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	227.0912
Annotation	Genipin
Peak:m/z	Relative Intensity
50.76327	2.4
53.03935	8.3
53.25565	2.3
55.01855	4.1
55.05503	4.8
65.03928	8.7
67.05502	28.2
68.05827	8.4
69.03416	9.5
69.07057	6.5
71.01339	9.1
71.54973	5.7
75.10587	2.6
77.03898	4.7
78.20963	2.4
79.05494	45.7
79.15324	2.4
80.05844	3.4
81.03407	9.4
81.07059	15.7
83.01335	4.1
83.04987	4.7
85.06523	5.3
86.09686	3.8
91.05483	100.0
92.05817	21.7
93.06158	13.8
93.07044	61.1
95.04966	39.6
95.08602	5.9
96.05299	9.4
97.02876	5.9
97.05499	3.0
97.06526	2.9
99.00819	2.7
100.11257	5.9
103.05470	44.2
105.03392	4.2
105.04450	4.3
105.07036	26.4
107.04949	33.4
107.08577	7.4
109.02897	7.1
109.06525	13.8
109.10136	5.5
111.08113	2.9
119.04118	3.8
119.04943	55.6
119.08557	2.6
120.05232	13.3
121.05534	17.3
121.06493	70.4
121.10153	3.8
123.04442	12.3
123.08041	2.9
124.04779	3.3
125.04945	7.4
131.04924	39.0
132.05655	4.5
133.06439	7.0
135.04422	7.3
135.08026	23.8
136.84477	2.3
137.05965	5.2
137.09535	3.1
141.05463	5.4
143.69183	2.5
147.04416	42.2
147.59494	2.5
148.04727	12.6
149.04919	37.5
149.05980	84.5
149.09590	2.9
151.07666	2.7
159.04413	13.3
163.07547	44.6
165.05511	5.9
165.09093	3.0
167.05852	3.9
167.07039	16.2
175.03894	21.5
176.04172	5.7
177.02032	2.7
177.04318	28.2
177.05733	53.6
179.07069	6.4
179.14261	3.7
181.08585	4.2
189.05460	4.8
191.07164	49.7
193.04921	4.2
195.05237	13.7
207.06541	3.9
209.08276	30.2
209.11697	3.8
227.09149	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03947	3.0
55.01872	2.3
65.03942	6.3
67.05183	2.5
67.05512	33.8
68.99776	4.1
71.01347	5.5
71.12407	2.3
79.05077	2.3
79.05502	26.0
81.03423	1.6
81.07050	5.9
91.05487	100.0
93.07072	2.4
95.01305	3.1
95.04975	42.4
97.02874	2.0
97.06533	1.8
99.00830	2.7
101.02402	8.2
103.03931	2.6
103.05461	3.6
105.03402	5.4
107.04964	15.7
109.02879	1.7
109.06516	4.9
119.04950	74.5
121.06495	2.9
123.04430	19.1
125.05983	1.9
129.03406	2.2
131.03400	2.8
131.04977	3.0
135.04420	3.2
137.05988	4.5
139.18019	1.3
147.04422	85.9
149.05997	5.9
150.62483	1.2
151.77592	1.5
152.56609	1.5
161.06035	1.6
163.03880	1.7
165.05449	7.2
175.03922	82.1
179.07019	2.9
189.05502	12.4
190.54735	1.5
193.04962	20.4
203.58113	1.5
207.06523	12.1
225.07584	3.9
243.19031	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03930	1.2
55.01883	2.2
60.08850	1.3
61.95229	1.3
63.10658	1.2
65.03944	5.3
67.05507	34.0
68.99772	1.5
70.79264	3.2
71.01356	5.8
79.05495	14.2
81.03438	2.0
81.07047	6.7
89.56795	1.3
91.05483	100.0
93.07027	1.6
94.63007	1.6
95.04974	41.0
99.00819	2.7
103.03960	5.0
103.05499	2.5
105.03387	5.1
105.07076	1.4
107.04982	8.2
108.36108	1.5
109.06490	6.4
119.04945	76.3
120.65846	1.3
121.06506	3.1
123.04430	24.2
129.03358	4.2
131.03386	1.6
131.04961	3.5
135.04460	4.3
137.05997	5.9
143.01962	1.3
147.04410	95.2
149.06003	6.3
151.07581	2.1
152.40933	1.5
161.06061	2.5
165.05487	12.2
175.03911	78.4
177.05536	1.6
179.07043	3.9
189.05417	15.1
193.04951	21.3
207.06554	11.2
225.07596	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03945	1.7
53.57034	0.9
55.01858	1.9
65.03931	4.3
67.05508	36.1
71.01359	6.3
71.08965	1.3
71.09298	1.1
76.89687	1.0
79.05495	14.8
81.03397	1.0
81.07065	6.2
86.11784	1.0
91.05486	100.0
93.07034	2.2
95.01295	2.0
95.04380	2.0
95.04974	39.8
97.02895	1.2
99.00198	1.0
99.00810	3.0
101.02348	2.3
103.03937	4.1
103.05464	3.2
105.03386	4.6
105.06971	1.4
106.06169	1.1
107.04956	5.5
109.06550	5.6
118.04135	2.3
119.04950	71.1
121.06503	2.2
123.04439	23.5
129.03343	3.2
131.03378	1.5
131.04932	4.0
133.10333	1.2
135.04402	4.4
137.05991	5.4
147.04420	95.0
149.05991	7.8
151.07545	1.5
161.05937	1.9
163.03896	1.5
165.05476	9.0
167.07132	1.3
168.62965	1.1
175.03915	74.4
179.07060	2.8
189.05449	14.7
193.04971	22.2
207.06535	9.7
225.07556	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
59.66490	1.2
62.81911	1.3
65.03944	6.2
67.05508	32.4
68.99771	2.3
70.85188	2.1
70.85508	1.3
71.01362	4.5
79.05504	17.8
81.03384	1.7
81.07059	7.0
91.05485	100.0
91.42485	1.1
92.45461	1.2
93.07016	2.4
95.01345	2.1
95.04975	38.7
97.02899	1.8
99.00811	2.5
101.02347	1.8
103.03960	4.9
103.05465	2.2
105.03400	4.2
105.04456	1.4
107.04956	6.6
109.06516	7.1
118.04199	2.1
119.04945	71.4
121.06506	2.4
123.04429	18.6
129.03365	2.9
129.62505	1.2
131.03455	2.5
131.04939	2.2
132.14209	1.3
135.04437	4.4
137.05972	4.1
145.02834	1.5
147.04416	86.3
149.05984	4.6
151.07501	1.5
161.11139	1.5
163.03798	1.9
165.05527	9.3
175.03917	81.3
179.07118	2.7
189.05505	12.5
193.05005	20.4
207.06566	10.5
225.07608	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	222.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37740	0.4
58.65700	0.5
70.32851	2.2
82.99842	0.6
87.42155	0.4
93.94331	0.4
101.00868	1.7
117.26662	0.5
119.01904	1.3
120.95382	1.4
138.96405	18.2
156.97472	100.0
161.97990	0.7
174.98529	50.8
179.99089	3.3
180.86797	0.5
180.97452	1.9
180.99005	0.5
198.00259	1.0
198.98526	37.2
216.99582	54.8
222.00104	0.9
238.81221	0.5
240.01216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43135	2.0
60.57393	2.0
71.28260	4.3
82.99848	6.2
86.55390	2.1
101.00886	65.3
119.01929	100.0
123.34961	2.1
124.02459	8.3
137.02965	13.7
142.03502	64.4
143.01900	3.7
149.58687	2.3
156.99664	2.7
160.04575	9.9
161.01706	3.9
161.02965	38.2
165.05112	2.6
177.00989	14.5
177.69920	2.1
179.04030	40.6
184.04602	5.9
201.00873	2.5
202.05571	3.9
217.03952	3.0
219.01978	13.5
243.02113	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.38377	1.2
53.03956	1.3
55.05510	10.9
56.96572	1.3
57.03427	2.2
57.07066	5.1
59.04993	1.7
65.03947	1.4
67.05504	11.4
69.03429	1.8
69.07063	12.4
69.21146	5.3
69.21566	7.5
71.04991	15.3
77.03903	1.3
79.05082	1.4
79.05495	17.3
81.03424	2.3
81.07060	64.9
83.04981	3.6
83.08614	4.4
84.29066	1.2
85.06553	2.6
91.05482	12.9
93.07053	33.9
95.04987	4.1
95.08613	33.0
97.02906	1.4
97.06503	1.6
97.10117	1.4
98.21523	2.7
98.97614	1.7
99.08101	4.1
100.58811	1.4
105.07034	28.8
107.08599	54.5
107.09320	2.9
107.15777	1.2
109.06509	3.1
109.10164	24.0
111.08073	4.1
113.09661	1.8
115.05461	2.3
115.55138	1.2
117.07024	3.3
119.08587	45.7
121.06551	1.5
121.10159	11.4
123.08083	2.3
123.11713	14.8
125.09652	2.0
127.11182	8.3
131.08540	2.6
133.02856	4.7
133.06494	3.2
133.10143	24.6
135.11699	100.0
137.05998	2.4
137.09604	3.5
137.13234	2.5
139.11115	2.2
145.10097	2.6
147.11711	20.9
149.02386	9.6
149.13280	7.8
151.03947	8.7
151.07491	1.3
151.11194	2.4
153.12730	1.3
160.12567	1.3
160.61287	1.1
161.02362	3.1
161.05991	6.2
161.09714	1.7
161.13286	11.8
163.11281	1.3
163.14940	2.7
165.09103	2.4
165.12788	2.9
170.67094	1.3
175.07477	2.2
175.11169	2.0
175.14807	4.7
177.16336	1.4
179.03447	5.8
179.14355	1.7
189.01855	1.9
189.05458	2.5
191.07077	1.6
192.04158	1.3
193.08643	1.5
193.15829	1.6
193.45584	1.3
203.07072	3.4
203.10667	2.1
203.14455	2.5
203.17975	33.8
206.16194	1.5
207.02798	1.7
221.04466	18.6
221.07977	10.3
221.11728	3.3
221.15723	7.3
221.19031	40.8
221.22076	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03940	2.0
55.05507	10.1
56.96570	2.4
57.07065	5.2
59.05008	1.6
59.49580	1.3
60.60476	1.4
62.67099	1.1
63.72682	1.2
65.03939	1.6
67.05512	13.1
69.03444	2.7
69.07069	11.4
70.31196	4.2
70.31619	2.4
71.05003	15.6
74.06400	1.3
77.03887	1.4
79.05495	18.3
81.03402	1.3
81.07059	79.2
83.04996	3.9
83.08622	6.1
85.06569	1.8
91.05473	12.4
93.07047	39.3
95.04955	3.7
95.08611	33.2
97.02937	1.3
97.06543	2.8
97.10178	3.4
99.08097	6.2
103.05483	4.1
105.03407	3.9
105.07034	34.4
107.08595	55.8
107.09316	2.8
109.02900	1.3
109.06513	3.7
109.10157	25.9
111.08088	3.8
113.09626	1.5
115.05474	2.2
117.07056	3.2
119.08582	54.3
121.10144	13.0
123.08072	3.4
123.11703	15.9
125.09708	1.7
127.11216	8.4
127.36793	1.5
129.07016	2.1
131.04890	1.5
131.08559	2.0
133.02872	5.6
133.06523	4.3
133.10123	26.3
135.08095	2.3
135.11694	100.0
137.06021	3.0
137.09665	4.6
137.13255	2.2
139.11186	1.7
145.10135	2.7
147.04466	1.6
147.08101	3.1
147.11687	20.4
147.12782	1.5
149.02368	4.0
149.13263	6.8
151.03923	2.4
151.11186	2.7
160.05267	1.4
161.02365	6.1
161.06052	5.0
161.09674	2.7
161.13278	13.1
163.14862	5.1
165.05548	2.1
165.09151	3.1
175.07611	4.2
175.11125	2.0
175.14883	3.1
177.09190	2.9
177.14738	1.7
177.16327	2.2
179.03438	5.5
179.10738	1.4
187.39346	1.2
189.01761	2.0
189.05502	1.9
203.03569	1.7
203.07141	2.5
203.10716	2.4
203.14355	2.4
203.17969	39.2
207.02872	7.0
214.17999	1.4
221.04477	32.1
221.08150	8.5
221.11803	4.5
221.15443	8.1
221.17384	4.9
221.19089	43.3
241.97350	1.4
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
53.03947	2.2
55.05509	9.5
56.96564	1.4
57.07077	2.8
59.04981	1.6
63.62738	0.8
64.64935	0.9
65.03932	1.3
67.05498	10.1
69.03398	1.2
69.07074	11.9
70.86837	2.0
71.04989	16.2
77.03923	1.7
79.05486	17.4
81.07056	77.6
83.05009	1.7
83.08630	4.6
85.06535	1.5
91.05476	10.7
93.07043	34.2
95.04960	1.5
95.08607	33.6
97.06551	1.9
97.10160	1.1
98.97565	1.2
99.08098	5.3
105.07030	27.9
107.08594	55.7
109.06520	2.7
109.10152	26.2
111.08066	2.3
111.11719	2.7
113.09651	1.4
115.05463	1.4
117.07008	2.5
119.08584	49.0
121.10143	10.1
123.08040	1.8
123.11703	16.4
125.09631	2.6
127.11186	7.5
133.02884	2.5
133.06499	1.5
133.10143	22.9
135.11691	100.0
137.06018	1.3
137.09595	4.1
137.13246	3.2
139.11133	1.4
145.10120	2.9
147.08121	1.2
147.10545	1.1
147.11703	20.8
149.02385	1.4
149.13243	7.3
151.11174	4.0
159.11684	1.6
161.02365	2.6
161.05977	3.8
161.11996	1.2
161.13257	11.0
163.14886	4.6
165.12750	1.8
175.07448	1.5
175.14784	4.1
177.09076	1.2
177.14694	2.1
177.16350	2.2
178.02568	1.5
179.03360	3.6
179.14297	1.0
189.01884	1.6
189.05482	1.1
203.06946	1.6
203.17955	36.3
207.02925	1.4
221.04457	16.1
221.08015	3.6
221.11665	2.1
221.15408	2.5
221.17210	10.2
221.19029	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03938	1.6
55.05509	11.7
57.03431	1.1
57.07074	5.4
59.04990	1.3
65.03942	1.8
66.91666	1.0
67.05509	12.8
69.07072	12.7
70.06571	1.6
71.04993	16.0
71.54002	1.5
79.05495	18.5
81.07059	92.8
83.04970	1.1
83.08632	6.3
85.06525	1.6
90.08054	1.1
91.05488	11.5
93.07049	36.1
95.04992	1.9
95.08609	30.2
97.02876	2.2
97.06526	2.6
97.10161	2.0
98.97557	1.4
99.08067	6.5
105.03382	2.4
105.07029	32.3
107.04912	1.1
107.08595	65.4
108.09023	1.1
109.06502	3.3
109.10159	29.0
111.08072	2.1
111.11745	2.1
113.09659	1.5
115.05435	1.8
117.07013	2.8
119.08588	48.7
120.94617	1.1
121.06525	1.7
121.10127	12.6
123.08070	3.5
123.11709	18.2
125.09625	1.5
127.11219	8.2
129.07036	1.2
130.06528	2.3
131.08534	1.7
132.04488	1.3
133.02798	1.8
133.06476	1.5
133.10133	26.3
135.11699	100.0
137.06001	1.8
137.09607	3.3
137.13223	3.5
139.11185	2.2
143.08470	1.2
145.10138	2.7
147.04422	1.1
147.08032	1.3
147.11693	22.4
149.02361	9.4
149.13263	7.9
151.03966	2.5
151.11134	2.8
153.05478	1.6
157.07605	1.9
157.10089	1.3
158.05978	2.7
159.11720	1.3
161.02361	2.0
161.05986	3.1
161.09685	1.8
161.13255	13.4
163.14854	12.3
165.09152	2.1
165.12749	2.8
175.08710	4.1
175.11229	1.3
175.14743	5.4
177.09097	1.2
177.16437	2.9
179.03391	2.9
189.05502	1.3
193.15814	1.3
203.06908	1.7
203.10722	1.8
203.17975	41.9
206.16234	1.6
221.04425	14.8
221.07990	3.7
221.09959	1.4
221.11801	3.1
221.15422	3.9
221.19003	47.1
221.22005	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	2.6
55.05516	9.1
56.96555	1.8
57.07072	3.5
67.05509	8.5
69.07069	10.8
70.24934	3.4
71.04990	18.6
73.06532	1.0
77.03931	1.1
77.97424	1.0
79.05496	17.9
81.07058	79.5
83.04993	2.1
83.08613	5.0
85.06545	1.3
91.05478	10.8
93.07045	35.4
95.08610	29.6
97.06541	3.5
97.10163	1.2
98.21369	1.2
99.08083	3.5
105.07037	26.1
107.08603	53.7
109.06485	1.8
109.10159	21.5
111.08039	2.0
111.11715	1.5
113.09623	1.6
115.87248	1.0
117.07005	1.9
119.08590	47.3
121.10155	9.5
121.76038	1.0
123.08121	1.5
123.11705	16.9
125.09622	1.3
127.11195	8.3
131.08527	1.3
133.06514	1.3
133.10130	23.3
135.11697	100.0
137.09641	2.8
137.13248	3.7
139.11163	1.4
143.04947	1.4
145.06586	1.3
145.10104	2.7
147.08069	2.0
147.11699	22.2
149.13295	7.2
151.11217	2.7
159.11687	1.5
161.02408	1.4
161.06018	2.6
161.13255	10.2
163.14873	5.7
165.12746	1.7
175.07545	1.6
175.11055	1.1
175.14795	3.1
177.14751	2.0
177.16304	1.4
179.03438	1.9
189.05411	1.3
203.17964	39.1
221.04475	9.1
221.08029	2.5
221.11725	2.1
221.15417	2.7
221.17233	9.2
221.19022	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73549	37.9
70.84579	97.8
76.87331	41.5
77.46792	37.0
100.64949	41.2
114.98947	45.2
126.23862	38.9
216.93520	41.0
221.04204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69172	0.5
57.07067	1.0
58.99834	0.6
63.27057	0.6
67.05514	0.8
69.02916	0.5
69.33012	4.1
81.07060	0.5
82.01458	1.3
82.54541	0.5
82.99860	2.3
83.08598	0.5
91.05459	0.5
93.07055	0.6
93.77110	0.4
95.08650	0.6
98.97604	0.7
100.02501	3.2
101.00887	31.4
105.07029	0.7
109.10188	0.5
111.08105	0.8
114.04016	0.5
118.00334	0.6
118.03542	0.9
119.01930	100.0
119.08577	0.6
120.02045	0.5
121.01685	1.4
124.02374	0.5
127.00953	0.7
129.04016	0.6
129.63831	0.5
137.02969	24.7
137.05952	0.6
137.09581	0.7
139.00908	7.8
139.50990	1.0
142.03447	2.4
143.01926	1.0
147.05096	0.6
147.96268	0.5
148.01407	2.7
150.51697	7.4
151.01762	1.6
151.28143	0.5
156.05060	0.8
157.01711	0.7
157.03522	0.8
159.52231	1.7
160.02386	0.6
161.02972	37.4
162.26616	0.4
172.08244	0.5
172.96831	0.5
175.01144	0.7
175.02734	2.5
175.04494	1.4
175.06012	0.5
175.07550	0.6
177.00978	1.4
177.50177	0.5
179.00787	4.2
179.04024	62.2
184.04572	1.9
186.50945	3.4
193.03825	0.7
195.01108	0.5
195.51460	4.4
197.99113	1.2
198.02705	0.8
198.04356	2.0
198.06213	2.7
202.05585	1.2
203.00748	0.9
203.04050	1.8
206.16139	0.6
216.07263	1.0
221.01825	17.4
221.04695	4.5
221.06767	1.1
221.15457	0.8
238.98395	1.0
239.03886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
56.96570	0.2
57.79259	0.1
69.33163	1.2
71.97536	0.1
81.07087	0.2
90.98529	0.1
91.05508	0.2
93.07024	0.2
95.08618	0.2
102.03580	0.1
105.07025	0.2
106.06590	0.2
106.07362	0.2
107.08610	0.3
114.30476	0.1
118.06548	7.1
119.07341	0.2
119.08609	0.2
120.08091	0.2
132.08072	1.8
133.08876	1.1
133.09901	0.2
134.09619	0.6
141.93571	0.1
143.01881	0.2
146.06111	0.1
146.09628	2.0
146.10641	0.2
147.10464	0.1
160.11179	0.3
162.09145	4.7
163.09807	0.2
171.59412	0.1
176.10791	3.1
176.14346	23.4
177.11496	1.4
178.12277	0.1
190.12263	2.3
191.12953	0.3
202.15829	0.9
205.15877	0.2
220.16959	100.0
221.17264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	SCHEMBL4407385
Peak:m/z	Relative Intensity
52.38991	0.5
55.05512	5.7
56.96541	1.8
57.03431	1.2
57.07054	2.2
59.04981	2.2
67.05508	8.3
69.03413	1.2
69.07069	27.4
70.68031	1.5
71.04996	6.0
77.00924	0.7
79.05482	5.6
81.03422	0.7
81.06588	1.0
81.07055	14.7
83.04962	1.6
83.08626	3.2
85.06545	3.3
91.05479	5.7
93.07045	12.4
95.04961	3.1
95.08608	21.2
97.06528	1.8
97.10175	1.4
99.08053	0.8
101.30241	0.7
105.07034	21.3
107.07878	1.0
107.08598	19.0
109.06503	4.1
109.10160	21.2
111.08105	2.7
117.07013	3.1
119.08586	19.4
121.06518	1.8
121.10139	17.5
123.08058	1.7
123.11709	6.6
125.09615	1.9
129.07014	0.6
130.07806	1.8
131.08556	6.9
133.10129	9.2
135.08066	4.3
135.11697	14.4
137.09624	10.5
137.13269	2.8
143.08568	1.1
144.09328	0.6
145.10130	20.3
146.06026	0.7
147.11673	5.8
149.09608	8.1
149.13261	4.0
151.11185	1.8
154.93185	1.2
157.10295	0.6
159.11699	10.8
161.09584	0.8
161.13258	9.8
163.11182	15.6
163.14841	1.0
172.94220	2.9
173.13252	3.3
175.08546	0.7
175.11446	0.8
175.14847	7.2
177.12727	2.8
177.16356	1.1
184.11989	1.1
189.09116	0.6
189.12735	1.0
190.95360	1.0
191.17958	8.1
195.95853	0.7
201.16377	16.4
203.14310	4.1
213.96931	0.9
219.06673	0.8
219.17442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.73537	1.0
55.05512	6.2
57.01881	1.1
59.04976	1.3
61.02933	1.3
62.37536	1.2
67.05513	7.7
69.07059	4.8
70.08638	5.6
70.39677	1.1
71.05001	23.6
72.63775	1.1
79.05505	6.7
81.07057	16.3
83.04969	1.8
83.08629	1.7
85.06523	1.9
91.05486	19.2
93.07045	18.0
95.04962	2.0
95.08627	19.3
95.09194	2.6
97.06535	4.9
98.21482	1.5
98.97590	2.7
98.99837	1.3
103.03910	1.4
103.05482	2.7
105.07038	58.9
107.08611	17.4
109.06484	1.9
109.10165	8.0
113.46803	1.2
115.05391	1.4
116.98630	1.5
117.07036	4.5
118.07771	1.5
119.08589	34.5
119.98069	1.4
121.10146	11.6
123.08051	3.1
123.11734	2.6
125.09638	15.1
129.07011	5.1
130.07745	1.6
131.08582	18.9
133.10139	100.0
135.11693	5.1
137.09613	2.7
141.07008	4.3
145.10123	15.6
147.11703	12.3
149.09625	1.8
149.13287	3.5
156.26372	1.2
157.06523	2.9
158.07277	3.3
159.04338	2.5
159.08028	3.7
159.11694	19.2
161.13248	10.3
163.11183	3.1
169.06551	2.1
173.13286	10.1
174.06793	8.7
175.14844	3.9
177.12842	3.0
179.73805	1.2
186.06810	2.2
189.09082	12.0
191.07002	1.4
191.14307	1.9
201.09135	6.1
201.16393	19.0
203.14394	4.0
205.93295	1.4
217.69464	1.3
219.10176	16.9
219.17459	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05501	2.4
57.03422	1.3
67.05487	2.0
69.07053	1.7
69.40471	4.2
71.04984	1.7
74.56255	0.7
79.05479	1.7
81.07063	3.7
91.05492	7.0
93.07031	2.2
95.08607	2.0
97.06535	0.8
103.05451	2.1
105.07028	5.8
107.08582	2.9
109.10137	1.5
115.05453	7.6
116.06241	2.4
117.07013	2.7
119.08562	2.8
121.06483	0.8
121.10140	4.3
123.11816	0.7
128.06216	6.1
129.07008	28.9
130.07782	2.1
131.04924	6.4
131.08572	28.1
132.05705	0.8
133.06454	0.6
133.10133	11.3
135.08107	0.9
135.11674	1.5
137.05986	2.9
141.06987	24.9
143.04913	1.3
143.08565	1.7
144.05684	3.7
145.06479	5.3
145.10106	3.2
146.07332	3.9
147.08090	0.6
147.11661	2.8
148.05153	1.3
149.09587	0.9
149.13193	0.6
153.07018	0.7
155.06036	0.8
156.05783	0.6
157.06490	14.9
158.07272	15.2
159.04401	2.8
159.08057	22.2
159.11702	2.4
160.05193	4.2
161.06021	1.6
161.09583	3.6
161.13307	0.9
163.07549	2.1
163.11183	1.0
164.75253	0.7
168.05785	1.5
169.06482	12.2
169.07730	0.8
170.07266	5.8
171.04420	0.8
171.08109	1.1
173.05971	3.9
173.13237	0.8
174.06769	55.4
175.07565	8.0
176.04587	0.6
176.62129	0.6
185.06010	0.8
186.06770	14.4
187.07549	1.1
188.08379	3.0
189.09108	75.6
191.07051	1.3
191.10684	7.4
201.09102	31.6
201.16373	2.5
203.14288	2.4
204.04184	1.1
219.06599	3.3
219.10167	100.0
219.17413	16.3
220.10475	0.8
230.46745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0684
Annotation	Decarboxytiaprofenic acid
Peak:m/z	Relative Intensity
69.56921	7.4
85.98343	1.2
100.83842	1.2
101.25677	1.5
112.18060	1.1
138.38821	1.2
145.03458	1.4
217.06851	100.0
220.64537	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0859
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
51.05857	0.4
55.01867	0.6
55.05274	0.6
55.05513	7.4
56.96578	1.8
58.45137	0.4
59.04996	0.8
64.04569	0.4
67.05489	0.7
68.99773	0.8
69.03435	0.6
69.07053	1.6
71.55038	0.4
73.02908	0.4
79.05497	0.5
81.07046	1.2
83.04980	10.8
85.02935	0.3
85.06548	0.6
86.80307	0.3
87.04465	0.9
89.02387	0.8
89.06032	3.2
91.05463	1.3
93.07029	1.1
95.04984	1.0
95.08587	1.2
99.04449	0.7
101.06024	5.5
105.07037	3.1
107.08569	1.4
109.06485	0.5
109.10198	0.8
111.04447	19.5
111.08074	0.8
113.05997	1.6
115.05444	1.5
117.06999	1.3
119.08598	4.7
121.06462	0.4
121.10121	1.3
127.07561	1.7
128.06227	3.0
129.05537	3.0
129.07002	4.2
130.07776	0.6
131.04912	0.6
131.08551	1.3
133.06529	1.7
133.10132	2.5
135.08031	0.5
137.05981	0.5
141.07100	0.6
142.07701	0.4
143.08513	0.8
145.06462	1.6
145.10126	1.3
146.07254	1.1
147.06555	0.4
147.08049	0.7
147.11658	1.3
149.09685	0.6
155.07034	22.0
156.05695	1.4
156.09344	0.5
157.06493	1.2
157.10104	1.5
159.04489	0.4
159.11739	1.3
161.05977	1.4
161.09619	2.4
161.13264	0.7
171.08038	0.9
171.11835	0.6
173.05994	1.6
173.08098	17.7
173.13229	1.4
174.06778	11.0
175.09818	0.4
175.11192	0.8
175.14845	1.2
189.09109	100.0
189.16376	1.2
190.09389	0.4
191.08601	0.4
199.09631	2.4
199.14825	1.2
217.08603	47.9
217.10696	15.0
217.15849	9.8
217.19432	1.0
219.07994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0915
Annotation	GEIR-2
Peak:m/z	Relative Intensity
53.47411	0.8
55.05503	1.5
67.05490	1.6
69.03413	0.8
70.95855	1.4
71.01357	4.1
71.13543	1.5
72.93787	2.7
74.09682	1.3
78.01323	0.8
79.05499	6.9
81.03432	1.3
81.07058	88.9
90.94811	1.6
91.05471	4.3
95.04984	1.3
95.08595	2.7
98.98442	2.3
103.05456	2.1
105.07033	19.7
107.04933	1.8
107.08529	0.9
108.05692	1.1
109.02872	1.3
109.06516	7.9
111.04422	1.7
119.04945	13.8
121.06478	0.9
123.08059	3.2
125.39351	0.8
127.08642	1.4
132.95839	21.7
132.96815	1.2
133.06496	9.5
133.10121	0.9
135.04402	1.1
137.05983	100.0
139.01538	2.2
139.03865	1.1
146.03610	1.2
149.96100	3.2
150.96892	15.0
151.07550	53.9
161.05995	44.9
166.61681	0.8
167.06770	0.9
167.97133	1.6
179.07042	50.8
191.97179	9.5
197.08055	1.9
209.98233	3.6
215.09065	1.7
238.85158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39306	0.5
55.01869	1.1
55.05508	0.9
56.96552	0.8
60.38916	0.5
67.05495	1.4
67.28136	0.5
70.06583	1.7
70.95872	0.8
71.01347	1.2
71.37199	0.9
72.08157	4.9
72.93778	1.8
74.09723	0.7
77.83205	0.6
79.05492	4.0
81.03430	1.1
81.07056	42.5
84.08111	0.6
90.94828	2.6
91.05492	3.7
92.62762	0.6
93.03395	0.5
93.07035	0.7
95.04990	0.7
95.08598	1.4
98.97572	0.8
98.98469	1.4
103.05476	1.2
105.07028	9.3
107.04947	2.2
108.05748	0.7
109.02857	0.9
109.06523	8.4
116.07099	5.7
117.84589	0.6
119.01920	0.6
119.04949	13.9
123.08086	1.9
127.08783	0.6
129.04050	0.5
132.95848	14.8
133.06502	4.6
135.04419	1.4
137.05980	100.0
138.06306	0.7
139.01537	1.4
143.01970	0.8
144.02144	0.6
146.03651	0.9
147.05153	1.1
149.96092	2.2
150.96892	12.1
151.07552	27.2
161.03072	0.7
161.05986	25.1
167.97246	1.0
171.05020	0.9
179.07039	39.2
189.06081	2.0
191.97157	9.0
209.98222	2.6
215.09103	1.0
215.13965	0.9
225.94717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03920	1.6
54.08834	0.9
55.01868	5.1
55.05510	11.8
56.96549	2.8
57.03422	2.0
57.07065	3.9
59.04999	1.3
67.05506	8.1
69.03415	2.9
69.07074	15.9
70.06574	2.9
71.04990	4.5
71.55382	1.5
79.05490	10.6
81.03450	2.0
81.07056	22.9
83.04976	2.0
83.08619	11.2
85.06555	5.6
86.09729	1.0
88.07610	2.9
91.05476	7.1
93.06488	1.3
93.07047	20.3
95.04961	1.9
95.08611	36.2
96.08931	1.1
96.80923	0.8
97.02905	1.4
97.06518	3.1
97.09209	1.2
97.10175	7.0
98.97577	8.8
99.04457	1.4
99.08098	28.1
100.63303	0.9
103.05464	1.5
105.07025	6.2
107.04954	4.1
107.08602	37.4
108.08920	0.9
109.02843	1.1
109.06506	3.3
109.10162	11.5
110.10497	1.3
111.04449	1.7
111.07366	1.6
111.08085	16.0
113.09634	2.8
116.98637	4.3
117.06947	1.0
119.08575	2.4
120.06370	1.2
121.02905	1.7
121.06548	4.8
121.10144	58.5
123.04453	1.0
123.08051	2.6
123.11681	2.6
124.94946	0.9
125.05997	1.0
125.09612	5.6
129.06963	1.2
130.96301	1.3
133.10118	1.5
134.99643	1.5
135.04410	4.1
135.08124	1.8
135.11702	13.6
136.11971	1.0
137.06024	4.4
137.12329	1.1
137.13263	10.1
139.07547	1.7
139.11159	1.7
141.06972	1.2
148.97371	1.5
149.05989	6.9
149.09720	2.0
149.13261	4.8
151.03822	1.5
151.11159	1.4
152.06152	0.9
153.05423	1.0
157.06477	1.1
157.10089	1.1
158.99641	4.0
167.04651	1.1
167.07092	2.7
171.11674	1.5
177.00751	1.8
177.05478	4.7
177.09151	1.5
177.16400	100.0
181.04929	2.1
185.07193	1.4
185.09665	1.5
195.06493	4.3
195.08167	1.4
195.10165	2.2
195.13852	1.4
195.17474	17.8
200.02274	0.9
213.05518	4.2
213.07312	1.0
213.09113	4.2
213.12860	4.6
213.16235	3.0
213.18481	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.82714	0.9
55.01869	2.3
55.05515	7.1
56.96573	1.3
57.07069	2.4
67.05502	4.6
68.50017	1.0
69.03432	2.1
69.07072	15.6
70.33127	3.0
70.33459	1.1
71.05003	2.6
71.82217	0.9
73.28303	0.9
79.05491	4.4
80.02782	1.2
81.07066	15.8
83.04978	1.2
83.08625	6.8
85.06536	4.7
91.05486	2.2
93.07048	14.8
95.08618	35.0
97.10170	7.9
98.97558	1.1
99.07498	2.0
99.08102	26.4
105.07033	2.3
106.40312	1.0
107.08607	28.7
109.10163	7.7
111.08098	15.2
113.09648	3.3
121.10151	54.8
123.11731	2.7
125.09629	4.3
132.32079	1.0
135.11707	13.1
137.13257	8.8
139.11224	1.8
149.13277	3.9
157.10217	1.7
177.16397	100.0
195.06447	1.2
195.17461	16.5
195.19180	1.7
197.63510	1.1
213.05296	1.0
213.09216	4.9
213.16579	1.4
213.18486	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03946	1.0
55.01869	3.0
55.05511	9.6
55.15761	0.8
57.07066	2.0
58.01335	0.8
59.05025	0.9
60.97747	0.9
67.05508	5.0
69.03423	2.1
69.07071	15.6
69.30315	7.6
71.04989	3.4
79.05486	5.0
81.06591	1.4
81.07059	18.4
83.08617	9.4
85.06548	5.8
91.05489	2.3
93.07041	12.6
95.08611	35.3
96.28020	0.9
97.06539	1.7
97.10168	7.3
98.97601	0.9
99.08097	31.9
105.07030	3.3
107.08598	30.6
109.10158	10.5
111.07390	1.2
111.08094	15.2
111.11708	1.3
113.09663	4.0
121.10147	56.9
123.08087	0.8
123.11710	1.8
125.09620	4.0
135.11705	9.4
137.13229	8.3
139.11177	3.2
144.68452	0.9
149.13266	4.4
153.12767	0.9
158.70995	0.8
177.16391	100.0
195.17451	15.0
213.09117	2.1
213.18491	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03938	4.1
55.01864	4.6
55.05513	15.2
56.96560	6.5
57.03442	16.4
57.07069	4.0
67.05505	72.8
69.03412	1.6
69.07072	27.7
70.65101	2.2
71.04983	6.9
73.02887	2.7
79.05492	38.4
81.07056	100.0
83.04993	10.2
83.08620	16.6
85.06549	4.5
88.07614	6.7
91.05480	20.7
93.07045	67.8
93.07639	2.5
95.04963	4.1
95.08606	27.8
97.06532	13.4
97.10188	1.5
99.04469	1.7
99.08072	4.3
105.07039	6.3
107.08585	36.3
109.06510	3.0
109.10160	4.9
111.08065	10.6
111.74165	1.4
113.09677	1.8
117.07021	12.1
119.08569	4.4
121.06499	3.5
121.10123	19.4
121.10914	1.7
123.11697	2.0
125.09587	1.6
129.07045	2.2
131.08551	8.9
133.10138	7.7
135.08034	3.2
135.11707	15.5
139.11200	2.1
143.08563	2.8
144.15179	1.5
147.11661	2.3
149.09641	1.7
149.13264	62.1
151.11142	1.7
155.21692	1.4
157.10124	4.5
159.11693	21.9
165.12900	1.8
167.41309	1.3
170.97420	1.6
171.11667	2.1
177.12779	11.6
181.08839	2.5
195.13795	11.9
213.05379	2.2
213.12769	3.3
213.16364	8.4
213.18257	1.7
234.39558	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03948	8.2
55.05513	32.9
56.96557	4.3
57.03430	12.5
57.07079	14.2
67.05508	71.9
69.07072	35.6
71.04980	5.5
71.56373	3.1
79.05502	36.8
81.03413	4.2
81.07060	87.4
83.04978	21.0
83.08623	19.2
85.06541	10.1
88.07641	14.4
91.05489	27.2
93.07045	70.3
95.05001	5.0
95.08617	37.8
97.06519	18.2
98.97559	4.4
99.08111	5.1
105.07019	14.1
107.04937	4.7
107.08595	57.1
109.06521	5.5
109.10156	5.5
111.04448	100.0
111.08069	14.5
113.06036	3.8
116.98689	4.1
117.07024	10.0
119.08592	9.3
121.06521	5.3
121.10158	27.0
123.08052	4.7
123.11703	4.1
125.06015	25.8
129.06998	2.9
131.08598	12.8
133.10136	12.7
135.08078	16.7
135.11690	31.6
137.05922	3.4
137.96152	3.0
139.07533	7.2
139.11122	3.2
143.08606	10.5
145.10143	18.1
149.05939	3.5
149.09624	3.8
149.13255	55.7
153.05461	3.9
153.12779	6.4
157.10135	12.9
157.34834	3.8
159.11694	23.5
163.11183	24.2
165.07019	4.2
171.11682	7.6
177.12755	11.0
181.12251	62.9
185.13350	3.8
195.06581	9.9
195.12027	4.2
195.13795	16.8
198.14117	3.0
213.05418	3.3
213.09282	4.6
213.11038	5.2
213.12801	13.6
213.14540	4.2
213.16469	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36217	0.5
53.03943	4.7
55.01867	1.6
67.05470	0.6
69.94279	2.5
77.03933	1.9
79.05494	9.4
81.03427	1.3
81.07048	8.0
86.09702	0.8
91.05477	17.8
93.07043	25.2
95.04979	4.5
95.08607	1.2
98.20721	0.7
98.97575	4.2
101.03809	0.6
103.05456	13.0
105.04505	2.2
105.07043	4.5
107.04968	4.8
109.06510	1.1
116.98605	1.6
119.02092	0.7
119.04927	0.8
121.06500	82.7
123.08058	1.3
131.04903	4.8
133.06467	1.1
135.04413	13.0
139.07536	1.4
142.16061	0.6
145.02878	0.9
147.04376	1.4
149.05978	100.0
151.07552	0.8
158.99626	1.3
159.03255	0.7
159.04446	7.6
167.07010	6.9
177.00822	1.0
177.05466	41.6
184.50636	0.6
189.05493	0.9
195.06525	16.6
213.07504	1.7
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
51.08757	1.6
53.03939	7.0
53.73990	1.6
55.01866	6.5
55.05511	4.2
56.96295	2.4
56.96565	28.9
57.03427	2.5
57.07064	2.3
59.69295	1.3
61.02910	1.5
65.03940	4.4
67.05492	9.0
67.72095	1.4
69.03413	6.3
69.07062	5.6
69.43560	8.2
69.43978	3.5
69.50566	1.4
70.06586	12.2
70.98105	3.8
71.01338	1.5
71.04971	2.6
72.60827	1.5
73.02921	2.6
77.03926	2.5
79.05493	43.9
81.03411	5.2
81.07049	13.7
83.04957	7.2
83.08654	2.5
84.08159	2.9
85.02903	4.0
85.06577	1.5
86.09666	2.3
88.07625	5.8
91.05481	54.8
93.07041	53.3
95.04976	17.6
95.08595	6.6
97.02896	4.2
97.06533	3.7
98.20790	2.9
98.97582	15.4
99.04459	2.0
103.05469	17.8
105.04513	3.2
105.07032	53.9
107.04953	40.5
107.08591	80.0
109.02873	3.3
109.06511	7.7
110.97601	1.7
111.04440	3.9
111.08076	2.4
115.05445	4.0
116.06242	4.5
116.07024	2.5
116.98594	8.8
117.07016	14.4
119.04959	8.9
119.08583	100.0
121.02914	2.4
121.06507	47.3
121.10137	35.5
123.04430	31.6
123.08047	7.9
125.02388	3.7
125.05984	4.0
125.09621	2.9
128.06186	1.5
128.98598	2.5
129.07013	5.4
130.96283	4.2
131.04922	4.2
131.08563	44.5
132.05704	3.7
133.06523	7.5
133.10115	6.8
134.99620	3.1
135.04414	25.3
135.08049	15.3
137.05948	4.1
137.09599	1.8
139.07491	2.6
139.11171	1.4
140.04694	8.0
141.02106	2.2
141.05501	2.4
143.00159	3.2
143.01913	1.8
143.08414	1.6
145.06465	4.3
147.04414	3.6
147.08052	46.3
148.97365	6.6
149.05977	48.7
149.07127	2.5
149.09615	44.5
149.10757	3.0
151.03914	25.6
151.07527	9.8
151.11166	2.2
153.05461	14.8
153.09142	3.5
155.07071	7.0
158.99631	2.9
159.03197	1.6
159.04416	5.1
159.08058	14.2
161.01205	2.8
163.03883	16.4
165.05537	4.3
165.09111	45.1
167.03407	2.1
167.07060	12.2
167.10632	13.4
170.99677	6.4
175.03978	1.6
177.00807	2.5
177.05502	20.1
177.09097	44.6
181.04953	15.8
181.08595	1.9
181.72882	1.7
183.06430	2.0
185.01215	2.0
189.00760	7.5
189.05490	3.6
189.97621	2.7
193.04927	3.0
195.06535	24.5
195.10156	38.6
195.11890	2.6
199.06001	1.9
203.02153	1.8
207.01720	1.5
207.06354	2.3
213.05540	3.9
213.07512	5.6
213.09296	2.5
213.11154	43.9
213.16010	3.0
219.83157	1.7
231.01840	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
53.03947	8.4
55.01871	5.4
55.05492	1.1
56.96551	4.0
57.03428	1.7
65.03932	2.6
67.05512	5.7
69.03427	6.7
69.59800	3.5
69.60207	1.3
70.06572	1.1
70.94251	0.8
71.01357	4.4
71.95268	0.7
72.08147	2.0
73.02953	1.6
77.03924	2.2
79.05492	18.8
81.03409	4.5
81.07058	11.2
83.01332	1.9
83.04962	2.1
85.02905	1.2
86.09696	2.4
91.05476	36.8
93.07041	37.7
95.04965	10.0
95.08597	2.2
97.02896	2.1
97.06515	2.6
98.97581	25.0
99.00845	0.8
99.04456	0.9
101.00831	0.8
103.05466	30.8
105.03411	0.8
105.04549	3.6
105.05148	0.7
105.07027	11.3
107.04968	9.0
109.02885	5.0
109.06528	4.8
111.04438	0.9
111.14057	0.8
115.05446	1.1
116.98621	7.7
118.04105	1.0
119.04942	13.5
121.06500	72.6
123.08020	1.1
125.02373	1.4
125.05988	1.3
127.03890	2.5
128.98595	1.8
129.03371	1.5
130.96275	1.1
131.04929	10.1
133.06508	4.4
134.99680	2.0
135.04419	8.1
137.05002	1.2
137.05974	9.8
139.07513	2.3
143.00311	0.8
145.02834	2.6
147.04402	10.8
148.00540	0.6
148.97316	1.1
149.05977	100.0
151.07565	4.7
153.05457	1.2
155.54675	1.1
158.99631	6.1
159.04445	8.3
161.06009	1.6
165.05482	2.7
167.07037	20.9
175.03894	2.2
177.00705	4.8
177.05466	53.9
189.05473	6.7
189.97612	1.3
195.06531	43.5
207.06575	4.0
213.07573	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43834	1.2
53.03942	3.6
55.01862	4.9
55.05267	2.0
55.05511	19.2
56.96560	3.0
57.03426	4.1
57.07057	3.7
57.08990	1.1
59.05006	2.9
61.02934	1.4
65.03936	1.9
67.05506	39.1
69.03437	14.0
69.07069	17.7
70.58957	1.9
71.01350	2.3
71.04998	53.5
71.53686	1.1
75.23753	1.2
77.03901	1.9
79.05502	34.1
81.03417	11.3
81.07060	52.0
82.18452	1.3
83.04989	17.2
83.08621	17.5
85.02913	3.1
85.06550	10.9
87.04471	2.9
91.05482	57.4
93.07050	35.7
95.04971	74.3
95.08614	38.5
97.06524	5.3
97.10154	2.7
98.97591	24.6
99.04481	5.7
99.08097	45.7
101.06006	2.2
103.05463	8.9
104.64577	1.4
105.07037	73.0
106.07353	1.3
107.04956	4.4
107.08601	25.6
109.02832	2.0
109.06524	14.7
109.10162	46.4
111.04456	4.1
111.08047	5.9
113.06013	2.1
113.09655	2.5
115.05473	3.2
115.07568	2.3
116.98623	6.3
117.06984	1.9
119.04937	3.4
119.08580	26.6
121.06520	10.3
121.10139	14.5
123.04472	3.0
123.08077	15.3
123.11700	6.9
125.06013	4.1
125.09636	25.8
127.07553	2.1
127.11189	3.0
129.07030	3.5
131.04910	2.3
131.08585	13.3
133.06508	40.0
133.10138	100.0
134.06799	1.3
135.11694	33.1
135.12730	1.8
137.06010	4.8
137.09621	33.5
137.13242	1.3
139.11206	1.5
145.10161	2.1
146.96796	1.2
147.04401	2.3
147.08032	7.8
147.11688	23.0
149.05997	14.2
149.09595	7.5
149.13257	8.5
151.07616	9.1
151.11195	27.7
151.14838	4.6
153.12756	7.5
155.10684	25.8
157.10146	3.7
158.99692	11.9
159.04416	2.1
161.05998	49.1
162.06288	1.9
163.07556	1.6
165.05527	2.4
165.09073	2.4
165.12741	4.0
165.16397	1.4
167.07079	12.1
175.11206	22.3
175.14830	20.1
177.00749	5.1
177.05420	1.9
179.07034	18.0
181.08621	2.5
193.08669	6.0
193.12253	38.8
193.15886	23.5
197.08121	5.7
199.04463	12.0
199.54628	3.9
208.04839	1.6
209.08110	11.9
211.06052	1.7
211.09653	29.1
211.13322	11.3
211.16946	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.14374	1.2
52.72466	1.2
53.03925	3.9
55.01861	5.6
55.05513	36.7
56.96351	1.1
56.96567	12.3
57.02206	1.2
57.03439	16.1
57.07061	5.7
59.04990	2.4
61.84833	1.0
65.03922	1.9
67.05505	46.1
69.03434	9.2
69.06733	1.8
69.07070	22.9
71.05007	10.4
71.08598	1.6
79.05076	1.8
79.05494	23.8
81.03420	46.6
81.07059	45.6
83.04507	2.3
83.04984	37.3
83.08624	30.4
84.96024	2.3
85.06550	9.2
87.04462	1.2
91.05483	25.3
93.03385	1.3
93.06494	2.4
93.07046	28.5
95.04966	21.7
95.08610	61.0
97.02887	3.6
97.06525	10.0
97.10180	8.0
97.99165	4.1
99.04467	2.8
99.08073	5.1
105.07030	23.5
107.04932	5.3
107.08600	32.5
109.06511	19.1
109.10159	100.0
111.04496	1.5
111.08089	43.6
113.05998	2.8
114.89251	1.3
116.00232	1.5
117.06982	1.9
119.04947	1.5
119.08585	54.5
121.06523	3.0
121.09338	2.4
121.10149	31.5
122.07283	2.5
123.04458	1.4
123.07218	2.7
123.08072	45.0
123.08971	2.5
123.11707	18.8
125.09627	9.7
127.11195	2.5
129.07001	6.6
131.00156	1.6
131.08577	8.7
133.06549	2.8
133.10136	44.8
135.08069	2.2
135.11690	56.3
137.05975	5.3
137.09619	84.2
137.13232	4.5
138.10435	7.3
139.11179	6.2
141.12794	1.3
142.07858	2.5
145.10092	2.3
147.08026	2.1
147.11696	15.2
149.01205	5.2
149.06000	3.6
149.09610	5.3
149.13281	13.4
151.03873	2.2
151.07497	1.8
151.11205	9.5
151.14810	10.5
155.03337	1.4
155.08505	2.4
157.10107	10.1
163.11182	4.1
165.05475	1.6
165.12770	13.1
165.16399	4.4
167.02370	1.5
167.07011	9.8
167.10669	4.8
169.12254	1.5
175.11246	14.3
175.14828	58.1
183.06493	2.0
193.04965	1.6
193.10448	1.7
193.12271	32.9
193.15880	40.6
205.85783	1.3
211.05984	5.3
211.07680	2.3
211.09390	1.5
211.13264	14.7
211.15045	1.8
211.16899	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03938	3.7
55.01852	4.3
55.05510	32.6
56.96568	14.7
57.03440	9.1
57.07057	4.8
59.04997	2.1
60.44703	0.9
65.03920	2.6
67.05505	43.6
69.03429	15.3
69.07068	24.1
71.04996	9.2
71.08639	1.6
71.55956	1.3
77.03888	1.3
79.05492	22.1
81.03419	48.4
81.07059	46.7
83.04980	37.7
83.08617	26.5
84.96010	3.6
85.02884	1.4
85.06544	9.3
91.05480	26.9
93.07045	23.1
95.04373	1.8
95.04969	23.8
95.08605	54.7
97.02863	2.9
97.06557	6.6
97.10152	8.3
97.99199	6.4
99.08102	8.2
103.05446	2.1
105.07021	21.3
105.64100	1.0
107.04965	7.0
107.08596	33.8
109.06516	18.2
109.10156	100.0
111.04479	1.7
111.08094	11.5
111.11674	1.0
111.71347	1.0
113.05972	1.5
113.09610	2.1
115.05517	1.0
116.00205	4.0
117.06985	2.0
119.04911	2.1
119.08577	36.8
121.06493	2.6
121.10139	18.9
123.04429	2.9
123.08064	19.9
123.11710	13.9
124.05194	1.2
125.09617	8.2
127.07526	1.6
127.11165	2.4
129.06995	5.9
131.08583	8.1
133.06497	2.4
133.10130	28.3
135.08037	1.1
135.11690	73.4
137.05983	4.1
137.09628	20.7
137.13184	1.4
139.11160	2.8
142.07782	1.7
145.10094	2.1
147.04408	2.9
147.07990	2.0
147.11691	10.4
149.05986	3.4
149.09663	5.0
149.13260	8.5
151.03874	3.7
151.07513	3.0
151.11162	12.3
151.14821	11.4
153.12720	4.4
157.10175	8.8
161.05969	1.2
165.05484	3.2
165.09125	2.0
165.12772	4.4
165.16399	3.6
165.68719	1.1
167.07045	13.3
167.10747	1.3
168.07091	1.2
169.10117	1.7
175.03911	1.5
175.11206	10.7
175.14827	32.5
179.03394	3.7
181.08580	2.9
183.06581	1.4
193.04945	2.6
193.08589	4.5
193.12256	28.9
193.15865	23.1
205.98759	1.2
211.05905	8.0
211.07539	2.0
211.09563	2.2
211.11333	2.0
211.13210	13.1
211.14995	2.3
211.16832	11.9
231.20061	1.1
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	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
53.86049	1.1
55.05516	16.7
55.61690	1.2
55.62072	1.4
56.96576	1.0
57.03432	2.8
57.07069	4.8
59.05008	2.3
67.05508	23.6
69.03437	7.1
69.07067	21.9
70.89179	2.7
71.04991	5.6
71.08641	2.0
79.05497	5.4
81.03418	3.8
81.07057	26.9
83.04984	16.2
83.08624	8.9
85.06536	4.2
91.05486	4.9
93.07046	14.1
95.04978	3.1
95.08612	47.6
97.06533	2.2
97.10169	7.0
99.08108	5.7
105.07043	9.7
107.08600	24.6
109.06522	13.1
109.10161	100.0
111.08073	10.6
113.09663	1.9
115.05054	1.1
119.08585	35.6
121.10154	17.1
123.08070	25.2
123.11700	15.0
125.09654	2.1
127.11253	1.3
131.08543	2.2
133.10139	33.5
133.11104	2.2
135.11696	65.0
137.09624	29.7
137.10573	1.0
138.10396	2.3
139.11217	3.2
147.11679	3.9
149.13258	8.5
151.11174	8.0
151.14828	13.5
153.12790	1.4
165.16447	3.0
167.07024	1.3
175.14833	38.6
193.15878	26.2
193.70268	1.2
211.16937	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05268	1.1
55.05511	12.9
56.37754	0.7
56.57668	0.7
57.07061	3.2
58.96582	0.8
59.04985	2.4
60.04742	0.7
67.05503	25.3
69.03430	9.4
69.06731	1.0
69.07069	15.2
70.86002	1.8
71.04993	4.3
71.08643	1.1
79.05489	5.5
81.03413	1.2
81.06590	1.6
81.07060	27.5
83.04983	12.0
83.08619	9.4
85.06532	5.8
89.67165	0.7
91.05459	4.4
93.06569	0.9
93.07049	10.8
95.04948	3.0
95.08608	39.7
97.06518	2.6
97.10138	3.2
99.08076	4.9
105.07027	6.7
107.08595	25.6
109.06510	12.7
109.10157	100.0
111.08079	4.2
113.09612	2.6
113.64175	1.0
119.08582	23.3
121.10153	11.0
121.82186	0.8
123.08070	14.3
123.11722	8.4
125.09630	2.0
127.11156	1.4
131.08609	0.9
133.10127	21.6
135.11693	78.2
137.09619	18.5
139.11139	2.4
147.11717	1.6
149.13287	4.4
151.11183	10.6
151.13678	1.0
151.14807	12.8
153.12723	3.5
165.05305	0.8
165.16371	3.6
167.06963	1.0
175.14824	24.3
189.10170	0.9
193.15903	19.6
211.16884	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03940	8.1
55.01878	8.5
55.05513	60.8
56.96571	8.0
57.03460	9.5
57.07076	5.2
59.04997	4.6
65.03952	4.2
67.05510	60.9
69.03439	18.6
69.07076	28.0
70.65772	3.1
70.66132	3.7
71.01376	2.9
71.04997	16.5
79.05502	50.5
81.03425	100.0
81.07062	76.9
83.04990	66.1
83.08622	42.7
84.96049	2.5
85.02901	2.9
85.06554	16.6
86.09672	1.6
91.05493	48.9
93.06596	1.1
93.07049	55.2
95.04977	56.8
95.08613	63.1
97.02898	6.6
97.06538	9.0
97.07084	1.9
97.10183	10.0
97.99205	4.2
99.04465	3.0
99.08100	81.8
103.05457	3.9
105.07040	50.5
107.04990	8.7
107.08604	61.0
109.02892	2.0
109.06516	18.6
109.10165	80.4
111.04460	2.2
111.08096	14.8
113.09634	2.4
117.07034	2.3
119.04937	3.8
119.08596	50.0
121.06520	6.2
121.10164	28.9
123.04440	3.8
123.08096	14.4
123.11712	17.3
125.09630	11.0
127.07587	2.2
128.06190	1.7
129.07019	14.3
131.08591	13.4
133.06506	6.4
133.10146	54.4
135.11703	74.0
137.05988	6.8
137.09628	27.5
138.10391	2.6
142.07813	4.1
145.10147	3.0
147.04355	2.5
147.08046	4.3
147.11703	20.1
149.05991	3.0
149.09674	11.2
149.13272	7.4
151.03925	3.1
151.07544	4.4
151.11186	14.6
151.14821	4.8
153.12747	3.2
155.07164	2.8
155.10664	3.2
157.10158	19.2
161.06023	2.2
163.14825	35.0
165.05524	2.9
165.09157	5.0
165.12845	4.6
165.16403	5.1
165.81993	1.7
167.07047	14.5
175.11230	21.5
175.14848	40.3
179.07083	2.4
181.08656	4.7
181.15816	3.5
183.06645	2.0
193.04964	1.9
193.08640	2.3
193.12268	64.0
193.15909	69.6
193.17696	3.5
199.42371	1.7
211.05997	6.7
211.07639	5.1
211.09706	5.2
211.13312	34.9
211.16930	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	16.4
57.03422	1.3
57.07078	5.5
59.04997	2.0
59.64404	1.1
65.10815	0.9
67.05508	24.0
68.98167	1.2
69.03431	8.5
69.07069	17.5
70.09542	1.9
70.09952	3.8
71.04982	4.7
71.08629	1.8
78.94727	1.1
79.05476	6.8
81.03390	3.5
81.06594	1.5
81.07058	26.4
83.04993	14.8
83.08625	8.8
85.06536	4.0
91.05483	6.2
93.07039	13.9
95.04954	4.2
95.08611	48.5
97.06520	2.6
97.10163	4.6
99.08099	13.1
105.07028	10.6
107.04919	1.0
107.08596	25.6
109.06523	11.8
109.10161	100.0
111.08090	4.4
113.09644	1.2
119.08585	28.8
121.10145	18.7
123.08073	18.2
123.11710	14.8
125.09634	4.8
126.36422	1.0
133.10138	26.2
135.11687	59.4
137.09621	23.6
138.10420	1.2
139.11205	2.9
147.11667	2.0
149.13242	5.8
151.07593	1.4
151.11188	9.9
151.14828	12.9
153.12723	3.0
165.16409	4.0
167.07104	1.8
175.13312	1.8
175.14832	36.6
179.03343	1.2
181.79326	1.3
193.15898	30.4
211.05960	1.3
211.17099	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05510	14.1
57.07059	4.1
58.94785	1.0
59.04992	2.5
65.62356	1.0
67.05504	25.6
69.03432	9.2
69.07068	20.9
69.95152	3.1
71.04981	4.2
71.08623	1.7
79.05495	4.8
81.06590	2.1
81.07054	27.4
83.04984	14.7
83.08611	9.6
85.06536	4.8
87.08085	1.1
91.05455	4.2
93.07031	11.8
95.04963	8.4
95.08604	47.4
97.06522	1.6
97.10163	5.4
99.08087	12.2
105.07025	10.6
107.08595	24.5
109.06525	11.1
109.10156	100.0
111.08096	6.1
113.09658	2.2
119.08579	29.2
121.10139	16.6
123.08058	17.9
123.11693	15.1
125.09627	2.1
127.11137	1.6
133.10124	30.4
135.11690	64.5
137.09628	25.2
137.13184	1.6
138.10399	2.1
139.11156	2.9
147.11673	2.1
149.13235	10.8
151.11188	10.0
151.14815	16.7
153.12737	3.0
155.10660	1.8
165.16391	3.7
167.07047	1.4
175.14819	41.3
193.15855	27.3
211.16891	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	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03947	4.3
53.04150	1.1
55.01873	7.3
55.05513	45.9
56.96569	6.1
57.03435	7.7
57.07067	2.2
59.04989	2.9
65.03921	3.3
67.05505	36.7
69.03436	11.4
69.07072	15.3
71.01363	2.3
71.04987	10.7
71.32373	1.8
72.20531	0.8
79.05492	34.1
81.03419	100.0
81.07056	45.9
81.07484	0.8
82.23911	0.9
83.04984	55.1
83.08615	38.0
84.08128	1.1
84.96003	1.5
85.02883	2.7
85.06541	6.4
87.04473	0.9
91.05482	40.8
93.06496	1.6
93.07051	26.1
95.04967	46.3
95.08607	27.7
97.02873	3.9
97.06538	8.7
97.10178	9.3
97.99148	2.8
99.04446	4.2
99.07498	1.5
99.08097	20.2
103.05434	1.5
103.66460	1.0
105.03371	1.3
105.04509	1.1
105.07038	28.0
107.04967	9.7
107.07874	1.5
107.08588	19.9
109.02879	1.2
109.06522	9.2
109.10151	21.2
111.04408	4.1
111.08085	18.6
113.05991	2.1
115.05441	1.8
115.07523	1.3
116.00182	1.3
117.07021	1.4
119.04911	2.6
119.08579	28.6
121.06464	4.4
121.09327	1.3
121.10140	15.1
123.04417	1.8
123.08063	7.1
123.11695	6.0
125.02351	1.1
125.09640	5.3
127.03851	1.1
127.07577	1.7
129.07008	12.2
131.08568	12.8
133.06493	4.9
133.10130	21.0
135.11693	14.0
137.06009	6.7
137.09613	12.8
137.13190	1.1
139.11166	1.5
142.07771	2.1
145.28775	0.9
147.04388	3.1
147.08090	5.7
147.11691	19.3
149.05954	2.3
149.09599	8.4
149.13232	1.7
151.03857	2.0
151.07564	4.6
151.11195	4.9
151.14801	2.0
153.06857	1.1
155.07236	1.3
155.08513	3.0
155.10645	3.4
157.10133	19.4
165.05431	2.5
165.06815	1.7
165.09064	1.9
165.12759	6.0
165.16348	1.3
167.07028	6.3
167.10710	1.8
169.10091	1.2
175.03847	1.0
175.11194	23.2
175.14810	9.0
179.03407	1.8
179.07027	2.0
181.08560	2.6
183.06525	2.0
183.08017	2.3
183.11678	1.0
193.04930	2.6
193.12248	56.7
193.15904	17.5
211.05894	5.0
211.07541	15.7
211.09717	2.3
211.13258	30.1
211.16861	9.1
224.54880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.36399	1.3
53.03936	3.5
53.08335	1.2
55.01889	5.6
55.05245	1.5
55.05515	39.8
56.96569	42.7
57.03450	9.1
57.07065	4.2
65.03935	1.7
67.05508	35.2
69.03428	10.0
69.07073	12.4
69.53069	3.4
69.53488	5.0
71.04981	3.7
73.06542	1.3
74.09736	1.4
75.81728	1.4
79.05495	29.6
79.56773	1.2
81.03422	100.0
81.06602	2.2
81.07061	36.1
83.04986	53.5
83.08624	38.5
84.96049	10.1
85.02908	1.7
85.06539	3.7
91.04914	1.6
91.05484	33.3
93.07049	17.1
95.04977	36.8
95.08604	14.3
97.02892	4.6
97.06512	4.3
97.10166	7.7
97.99194	18.5
99.04416	2.1
99.08087	3.5
105.07034	26.6
107.04958	6.7
107.08598	10.5
109.06516	7.3
109.10162	5.3
111.04439	3.0
111.08072	16.1
115.05447	2.3
116.00204	8.6
117.07000	2.8
119.08590	21.9
121.06522	3.5
121.10101	7.3
123.08043	4.3
123.11700	2.5
124.60507	1.2
125.09573	3.4
125.98634	2.0
129.07031	10.1
131.08562	13.3
133.06512	4.3
133.10139	14.9
135.11682	2.4
137.09613	3.5
139.01826	2.9
142.07787	3.6
143.99664	2.1
145.10141	1.4
147.08040	4.7
147.11702	15.1
149.09679	6.9
151.11203	1.3
155.08534	2.2
157.10147	18.5
160.94057	1.3
163.59328	1.3
165.12750	4.0
169.10075	4.7
170.07941	1.4
175.11203	23.3
175.14716	1.4
181.10248	1.6
183.06516	2.9
183.11667	1.4
193.04987	1.5
193.12256	58.6
193.16013	2.1
211.05914	1.9
211.07695	2.0
211.11127	3.2
211.13269	29.9
211.14896	5.7
211.16646	2.4
220.23085	1.3
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
51.44932	1.2
53.03931	5.4
55.01858	6.5
55.05513	39.9
56.96552	4.7
57.03434	9.5
67.05505	31.1
69.03426	8.5
69.07069	13.6
70.85320	2.9
71.04983	4.0
73.06563	1.3
75.99942	1.1
77.03929	1.4
79.05492	32.2
81.03418	100.0
81.06601	2.1
81.07058	37.4
83.04984	52.1
83.08618	35.0
85.02925	1.6
85.06529	2.6
89.51665	1.3
91.04909	1.7
91.05481	33.8
92.09580	1.2
93.07047	17.8
95.04971	32.4
95.08604	14.6
97.02876	5.2
97.06509	5.6
97.10179	8.4
99.08071	2.3
103.05403	1.2
105.07028	22.2
107.04953	8.2
107.08598	9.7
109.06503	5.6
109.10152	3.3
111.04426	2.8
111.08085	17.1
117.07019	1.4
119.08578	20.7
121.06464	1.5
121.10139	8.9
123.08065	3.3
123.11706	1.6
124.40720	1.2
125.09614	2.5
129.06982	12.6
131.00163	2.6
131.08572	13.5
133.06493	3.0
133.10127	14.2
135.11707	1.4
137.09607	1.7
142.07758	3.6
145.10094	1.9
147.08032	4.5
147.11694	18.3
149.01183	4.1
149.09583	7.8
155.08434	1.3
157.10136	16.9
163.11208	1.3
165.12790	3.7
167.07022	1.2
175.11189	21.5
193.12234	59.4
205.57506	1.2
211.13280	28.5
213.33502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
53.71901	1.1
55.01868	6.0
55.05515	42.4
57.03440	7.8
58.87714	1.1
66.15838	1.5
67.05512	27.3
69.03433	8.8
69.07076	10.0
70.09361	3.8
71.04987	3.5
79.05500	31.4
81.03423	100.0
81.06602	2.0
81.07059	32.6
83.04504	2.7
83.04988	53.3
83.08627	35.9
85.06555	2.5
91.05488	30.2
93.07048	18.6
95.04975	34.9
95.08614	12.1
97.02911	3.1
97.06556	6.0
97.10185	9.1
98.20835	1.4
99.08079	2.1
100.18296	1.2
105.07036	24.9
107.04971	7.1
107.08621	10.3
109.06525	8.1
109.10150	2.3
111.04433	2.6
111.08092	14.8
117.07037	1.3
119.04970	1.2
119.08590	20.2
121.10163	7.5
121.75155	1.1
123.08033	2.7
125.09634	2.1
126.82599	1.2
129.07002	13.4
131.08591	13.1
133.06511	3.0
133.10144	13.3
135.11676	1.5
137.09613	2.9
142.07780	3.5
142.27809	1.3
147.08037	5.0
147.11714	18.0
149.09633	6.6
157.10129	15.8
165.12759	4.3
170.67915	1.3
175.11198	24.7
188.06958	1.6
193.12259	54.0
211.13306	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03941	4.1
55.01875	6.9
55.05512	44.4
56.96571	5.4
57.03439	8.6
57.07078	1.9
59.05003	1.4
65.03944	2.0
67.05505	38.1
69.03436	10.9
69.07072	15.8
69.07423	1.4
69.24269	5.5
71.01347	0.6
71.04987	7.2
72.39046	0.7
73.02890	0.9
73.06544	0.8
79.05020	1.0
79.05493	32.9
81.03419	100.0
81.06676	0.7
81.07055	44.8
83.04982	54.2
83.08619	38.0
84.96020	1.3
85.02907	1.9
85.06541	3.5
85.80741	0.6
87.04470	1.0
91.05483	36.6
92.43708	0.6
93.07043	21.3
95.04968	41.1
95.08609	24.7
97.02895	4.0
97.06542	7.3
97.10172	9.3
97.99180	2.6
99.04482	1.2
99.08096	3.5
103.05441	0.9
105.04513	0.7
105.07033	26.5
107.04955	7.8
107.08600	13.9
109.06514	10.2
109.10158	24.8
111.04459	3.4
111.08081	20.7
113.05989	1.7
115.05415	0.8
117.06990	2.0
119.04985	1.8
119.08584	25.9
121.06495	3.7
121.10149	14.6
123.04419	1.4
123.08066	11.1
123.11691	4.5
125.09631	4.0
127.07537	1.3
127.11200	1.2
129.07005	12.7
131.07596	1.1
131.08565	12.7
133.06474	3.7
133.10130	18.3
135.11676	12.5
137.05975	2.6
137.09627	17.5
137.13211	1.1
138.10406	1.4
139.11195	1.0
142.07799	3.8
145.10152	2.1
147.04395	0.8
147.08075	4.2
147.11685	19.1
149.05991	1.9
149.09628	7.8
149.13243	2.6
151.03879	1.2
151.07588	1.4
151.11188	3.4
151.14818	2.5
155.08595	1.1
155.19234	0.8
157.10126	17.6
163.11171	1.8
165.05434	0.8
165.09149	0.6
165.12753	6.7
165.16467	1.0
167.07059	6.3
175.11188	21.5
175.14813	10.4
181.08572	1.3
183.06438	0.7
189.47528	0.6
193.04930	0.9
193.12248	58.2
193.15895	6.6
211.05881	1.6
211.07652	1.4
211.13272	30.2
211.16768	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03934	3.2
55.01873	6.2
55.05512	40.3
56.96565	36.7
57.03434	8.8
57.07068	3.9
59.04989	1.7
60.35344	1.1
62.45601	1.1
62.61981	1.1
65.26996	1.1
67.05505	32.4
69.03426	9.5
69.07072	14.3
71.04980	6.3
71.27393	2.2
74.97565	1.5
79.05490	27.6
79.05918	2.4
81.03418	100.0
81.06590	2.0
81.07056	40.8
83.04980	45.4
83.08620	32.0
84.96026	8.3
85.02906	2.2
85.06526	2.2
91.05482	32.8
93.07041	18.6
95.04965	37.6
95.05569	1.9
95.08606	17.0
97.02893	3.4
97.06532	6.5
97.10162	10.3
97.99181	15.6
99.04478	1.4
99.08045	2.9
105.06392	2.1
105.07030	24.5
107.04967	7.2
107.08587	11.0
108.57224	1.0
109.06511	6.0
109.10154	6.5
111.04440	2.9
111.08085	12.9
115.05452	2.2
116.00210	4.6
117.07040	1.9
119.04958	2.2
119.08581	19.3
121.06478	1.3
121.10152	8.0
123.04400	1.5
123.08060	3.8
123.11715	2.3
125.06000	1.3
125.09608	1.9
127.07520	1.4
129.07013	10.6
131.08554	12.8
133.06485	4.4
133.10132	12.7
135.11670	4.0
137.09613	2.5
139.01807	2.2
142.07840	2.3
145.10120	2.1
147.04362	1.5
147.08029	4.8
147.11681	16.7
149.09610	7.0
149.13261	1.6
151.03963	1.2
151.11226	3.0
155.08524	2.1
157.10132	15.6
165.12778	3.9
175.11179	22.8
175.14859	3.3
178.49384	1.3
193.04956	1.7
193.12248	57.2
193.15941	2.4
211.07680	2.5
211.11220	1.3
211.13231	31.7
233.02396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02390	0.8
53.03949	5.3
55.01864	4.7
55.05512	35.1
56.96549	2.3
57.03437	7.7
57.07056	1.3
59.05013	1.9
65.03938	1.3
67.05507	28.8
67.60345	0.7
69.03435	10.4
69.07065	11.8
70.80624	0.8
70.80935	1.3
71.04979	7.0
79.05495	30.9
81.03419	100.0
81.07056	35.0
83.04981	48.3
83.05388	0.5
83.08622	38.2
85.02909	1.5
85.06535	2.8
91.05486	30.4
93.07038	16.4
95.04967	36.6
95.08604	15.4
97.02884	2.6
97.06536	5.0
97.10173	9.1
99.04442	1.3
99.08081	2.0
105.07034	23.5
107.04954	7.2
107.08594	9.8
109.06513	6.3
109.10150	4.7
111.04430	3.6
111.08083	14.9
113.06001	1.5
115.05412	1.0
117.06998	2.0
119.04929	1.3
119.08586	21.0
121.06506	2.5
121.10140	9.3
123.04383	1.0
123.08073	4.2
123.11715	2.5
125.09612	2.4
128.06245	0.9
129.07018	10.3
131.08578	13.7
133.06490	4.8
133.10147	17.5
135.11693	3.3
137.09619	3.9
142.07764	3.7
145.10132	2.2
147.08038	5.2
147.10510	1.2
147.11694	19.2
147.13461	0.9
149.09621	7.9
151.07526	1.7
151.11201	1.2
157.10135	17.5
163.11086	0.8
165.12750	3.2
167.07016	1.9
172.09589	0.8
175.11200	20.4
175.14833	2.8
181.14273	0.8
193.12244	56.0
211.07692	1.4
211.13295	27.7
211.15295	1.4
211.16905	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03940	4.2
55.01863	5.3
55.05516	40.7
55.64188	1.4
56.96561	4.4
57.03437	8.4
65.03960	2.1
67.05509	24.0
69.03439	10.3
69.07073	11.3
70.43877	2.7
70.44234	1.6
71.04997	4.5
79.05500	31.1
81.03423	100.0
81.07061	33.2
83.04981	44.4
83.08622	34.7
85.06557	3.5
91.05486	30.7
93.07056	17.5
95.04969	32.1
95.08614	13.3
96.12356	1.3
97.02898	4.3
97.06534	3.8
97.10195	7.2
101.30247	1.2
101.56124	1.3
105.07040	23.5
107.04947	5.1
107.08609	9.6
109.06522	8.0
109.10159	4.4
111.04455	2.8
111.08088	16.8
115.05459	2.4
117.07022	1.5
119.08588	19.0
121.06535	2.9
121.10162	10.3
123.08089	3.4
123.11692	1.8
125.09619	3.7
129.07030	10.3
131.00169	2.2
131.08586	13.2
133.06476	2.8
133.10135	11.6
135.11749	1.4
137.09676	1.4
139.85704	1.3
142.07831	2.5
143.08505	1.3
145.10239	2.5
147.08070	2.9
147.11697	14.7
149.01216	2.6
149.09604	7.4
157.09000	1.4
157.10162	17.2
165.12758	3.2
167.06985	2.4
167.10725	1.8
175.11203	20.4
193.12263	50.4
211.05853	1.6
211.07690	1.7
211.13307	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	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03942	4.3
54.80790	0.7
55.01873	5.5
55.05513	44.6
56.96560	5.3
57.03433	10.0
57.07069	2.3
59.04977	2.8
65.03927	2.0
67.05505	37.5
69.03093	0.9
69.03433	12.1
69.07065	17.9
71.01361	0.7
71.04997	7.9
72.86729	0.7
73.95887	0.8
74.17815	0.8
79.05495	33.8
81.03419	100.0
81.07056	44.4
83.04980	55.6
83.05417	0.9
83.08617	38.6
84.68398	0.7
84.96043	0.9
85.02932	1.8
85.06550	5.2
91.05482	37.7
93.07046	26.4
95.04968	37.2
95.08607	26.7
97.02895	4.0
97.06535	8.4
97.10166	9.3
97.99175	3.4
99.04455	1.8
99.08096	3.8
105.04517	0.9
105.06324	1.0
105.07034	29.6
107.04959	7.8
107.08586	19.2
109.06521	11.1
109.10159	40.3
111.04449	4.9
111.08079	18.8
113.05992	1.1
115.05469	2.6
116.00234	0.9
117.07011	2.3
119.04955	1.4
119.08587	32.6
121.06513	4.0
121.10139	16.3
121.15257	0.7
123.04427	0.9
123.08082	11.3
123.11691	7.9
125.05939	1.5
125.09621	5.4
127.07526	1.5
129.07004	11.7
131.00174	0.9
131.08563	13.8
133.06493	4.0
133.09114	1.4
133.10127	25.5
135.04425	1.4
135.08096	0.9
135.11691	27.7
137.05981	2.6
137.09627	12.3
137.13203	0.8
139.07475	0.9
139.11127	1.5
142.07784	3.8
145.10173	1.9
147.04324	1.0
147.08060	4.1
147.11688	18.4
149.01221	1.4
149.05925	1.1
149.09628	9.7
149.13242	3.1
151.03848	1.7
151.07541	2.4
151.11179	5.5
151.14787	4.5
153.12756	2.5
155.08583	1.1
157.10136	19.7
163.11226	0.9
165.05492	1.9
165.06917	1.0
165.12761	3.4
167.07077	5.5
167.10629	1.6
171.06746	0.9
175.11183	22.3
175.14799	10.1
179.06978	0.9
180.07362	0.9
181.08635	1.0
183.15668	1.8
193.04964	1.5
193.12244	55.2
193.15887	9.7
195.13503	0.8
211.05963	2.5
211.07599	2.6
211.13281	35.9
211.15077	1.3
211.16626	4.7
229.05360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
54.69107	1.2
55.01877	7.6
55.05507	7.9
56.96566	7.3
57.03442	3.4
57.79961	1.2
58.23851	1.4
60.32420	1.3
63.43421	1.5
65.03936	16.6
65.26937	1.4
67.05505	35.2
67.88472	1.3
68.99770	1.5
69.03429	10.0
69.07062	3.0
69.19109	13.1
71.01352	11.1
71.04997	2.7
71.08619	1.5
73.02886	1.5
73.41296	1.2
76.44114	1.3
77.03922	1.5
79.05502	27.2
81.03419	14.6
81.07058	35.0
83.01350	2.5
83.04990	20.4
83.08621	4.3
85.02914	7.8
85.54932	1.4
91.05485	100.0
93.03419	9.9
93.07043	14.3
95.01334	4.4
95.04973	80.5
95.08611	6.6
97.02894	19.9
97.06524	4.0
97.10163	1.7
97.99198	2.5
98.47315	1.4
98.97586	2.6
99.00834	4.1
99.04468	5.0
99.08105	2.5
101.02379	1.4
103.05473	6.6
105.03399	5.5
105.04562	2.4
105.06392	2.7
105.07033	26.6
107.04964	14.2
107.08611	6.1
109.02881	4.6
109.06523	33.3
109.10161	7.7
111.04447	29.7
112.07681	1.3
113.02390	5.7
119.04951	67.0
119.08626	7.1
121.02836	11.0
121.06513	15.6
121.10148	1.8
123.04435	64.1
123.08080	5.8
123.11696	2.8
125.02358	35.8
125.06026	3.5
127.06091	1.3
127.07574	1.6
131.04956	2.2
133.02890	2.2
133.06496	8.1
133.10165	5.8
135.04405	11.8
135.08073	2.5
135.11734	4.9
137.05984	47.2
137.09607	6.3
139.03906	19.4
145.02893	1.5
147.04417	87.5
147.08098	2.2
147.11714	2.0
149.02362	11.8
149.05994	16.5
151.03882	11.7
151.07495	3.2
153.05472	2.6
156.07094	1.4
163.03873	8.9
165.01822	1.6
165.05481	40.7
165.09117	71.0
167.03401	36.1
167.07053	27.9
167.29268	1.5
169.04967	2.3
173.02321	2.8
175.03917	94.9
175.11235	2.1
175.14850	1.9
179.03423	3.9
179.07132	2.3
181.05006	2.9
181.08606	9.6
183.06595	2.3
191.03304	1.5
193.04984	42.4
193.08582	11.3
193.10159	1.8
193.12260	3.7
193.15848	1.5
196.07378	2.2
205.93089	1.3
211.06035	16.4
211.09625	11.4
211.16859	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0603
Annotation	Alcanivorone
Peak:m/z	Relative Intensity
53.03949	5.4
54.69107	1.2
55.01877	7.6
55.05507	7.9
56.96566	7.3
57.03442	3.4
57.79961	1.2
58.23851	1.4
60.32420	1.3
63.43421	1.5
65.03936	16.6
65.26937	1.4
67.05505	35.2
67.88472	1.3
68.99770	1.5
69.03429	10.0
69.07062	3.0
69.19109	13.1
71.01352	11.1
71.04997	2.7
71.08619	1.5
73.02886	1.5
73.41296	1.2
76.44114	1.3
77.03922	1.5
79.05502	27.2
81.03419	14.6
81.07058	35.0
83.01350	2.5
83.04990	20.4
83.08621	4.3
85.02914	7.8
85.54932	1.4
91.05485	100.0
93.03419	9.9
93.07043	14.3
95.01334	4.4
95.04973	80.5
95.08611	6.6
97.02894	19.9
97.06524	4.0
97.10163	1.7
97.99198	2.5
98.47315	1.4
98.97586	2.6
99.00834	4.1
99.04468	5.0
99.08105	2.5
101.02379	1.4
103.05473	6.6
105.03399	5.5
105.04562	2.4
105.06392	2.7
105.07033	26.6
107.04964	14.2
107.08611	6.1
109.02881	4.6
109.06523	33.3
109.10161	7.7
111.04447	29.7
112.07681	1.3
113.02390	5.7
119.04951	67.0
119.08626	7.1
121.02836	11.0
121.06513	15.6
121.10148	1.8
123.04435	64.1
123.08080	5.8
123.11696	2.8
125.02358	35.8
125.06026	3.5
127.06091	1.3
127.07574	1.6
131.04956	2.2
133.02890	2.2
133.06496	8.1
133.10165	5.8
135.04405	11.8
135.08073	2.5
135.11734	4.9
137.05984	47.2
137.09607	6.3
139.03906	19.4
145.02893	1.5
147.04417	87.5
147.08098	2.2
147.11714	2.0
149.02362	11.8
149.05994	16.5
151.03882	11.7
151.07495	3.2
153.05472	2.6
156.07094	1.4
163.03873	8.9
165.01822	1.6
165.05481	40.7
165.09117	71.0
167.03401	36.1
167.07053	27.9
167.29268	1.5
169.04967	2.3
173.02321	2.8
175.03917	94.9
175.11235	2.1
175.14850	1.9
179.03423	3.9
179.07132	2.3
181.05006	2.9
181.08606	9.6
183.06595	2.3
191.03304	1.5
193.04984	42.4
193.08582	11.3
193.10159	1.8
193.12260	3.7
193.15848	1.5
196.07378	2.2
205.93089	1.3
211.06035	16.4
211.09625	11.4
211.16859	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	0.9
55.01866	1.7
55.05508	2.1
57.07080	4.8
59.04999	0.8
66.09423	0.5
67.05508	4.4
69.03423	1.7
69.07072	3.0
69.39159	3.9
71.05003	4.0
74.51380	0.4
78.04706	0.8
79.05508	4.7
81.03410	0.9
81.07062	5.6
83.04982	3.1
83.08625	1.6
85.02903	0.5
85.06573	0.6
86.28484	0.4
91.05484	5.5
93.03403	0.6
93.07046	5.9
95.04968	5.9
95.08608	7.4
96.80033	0.5
97.06531	2.2
98.20724	1.0
99.08134	0.5
103.05484	1.0
105.07040	4.6
106.04177	1.8
107.08603	9.0
109.06523	100.0
109.10161	12.9
111.08089	2.2
112.26417	0.5
117.07030	1.4
119.06014	0.6
119.08596	1.8
121.06512	4.5
121.10151	5.7
123.08067	10.1
123.11682	1.1
125.05993	0.5
125.09631	1.9
129.07002	0.5
131.08568	6.4
133.06560	0.6
133.10139	5.1
135.08064	26.5
135.11707	0.9
137.09613	1.4
139.11189	1.0
141.55820	0.5
143.08516	0.6
144.09305	0.5
145.10127	1.7
147.11682	1.5
149.05984	3.6
149.09639	3.9
149.13292	2.8
150.10422	2.1
151.11198	10.1
153.09102	5.1
158.10934	1.3
161.09642	0.4
162.10381	0.6
163.07635	0.5
163.11168	0.9
163.14848	1.5
165.12743	2.2
167.14349	0.7
173.13271	9.1
176.12051	0.7
177.05513	2.6
181.08566	0.8
191.14314	29.2
209.08110	1.2
209.11714	0.6
209.13544	0.5
209.15384	12.7
224.17314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.83189	0.6
53.03955	1.1
54.53483	0.7
55.01875	1.1
55.05521	2.4
57.03432	0.6
57.07079	1.5
59.05018	1.0
67.05514	5.1
68.07182	0.7
69.03429	10.1
69.07069	4.0
70.90961	1.6
71.04997	1.3
77.03917	0.8
79.05495	4.7
80.75472	0.7
81.03424	9.4
81.07055	9.6
83.04987	5.0
83.08620	2.5
91.05488	4.6
93.07062	5.6
95.04962	7.4
95.08606	7.1
99.08105	1.3
104.55389	0.7
105.07024	6.5
107.04980	0.9
107.08601	13.6
108.57022	0.7
109.06521	11.1
109.10188	4.5
111.08144	0.9
111.23131	0.6
112.18546	0.7
115.05432	1.3
117.07005	0.9
119.08589	6.3
121.06487	2.4
121.10146	14.2
122.07283	1.7
123.08062	12.4
123.11717	7.7
125.09630	1.4
126.16554	0.9
131.08606	1.8
133.07596	0.8
133.10144	15.7
135.08057	5.0
137.09605	14.8
137.13254	2.4
145.10132	1.5
147.11699	3.3
149.09630	10.7
149.13269	10.9
151.11186	6.4
163.14873	1.5
165.12761	100.0
167.14424	0.8
173.13258	2.5
177.05508	0.8
191.14354	4.5
209.15372	59.1
218.97200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	2.2
55.01876	4.0
55.05515	15.1
57.03429	6.9
57.07066	6.8
59.04982	6.3
65.03950	1.9
67.05511	16.4
69.03427	7.0
69.07069	20.0
69.30920	9.6
69.31356	8.4
71.04978	8.4
71.40564	2.1
79.05495	14.0
81.03408	3.9
81.07052	30.9
83.01355	3.7
83.04560	2.2
83.04987	23.0
83.08611	8.0
85.06545	11.0
91.05483	18.0
93.07050	33.5
95.04956	8.5
95.08602	34.6
97.06525	11.5
99.08096	21.6
105.07047	17.7
107.04932	7.6
107.08600	62.2
109.06523	14.6
109.10172	22.7
111.04450	2.7
111.08041	11.3
112.44263	2.1
117.06981	2.9
119.08585	15.0
120.14734	2.1
121.06505	20.1
121.09340	3.5
121.10148	45.1
123.08063	22.4
123.11697	8.0
125.05994	6.6
125.09655	17.0
131.08562	17.7
133.10136	30.9
135.08057	25.6
135.11687	5.8
137.09593	10.0
138.35654	2.1
139.07486	7.9
139.11154	7.0
143.08498	2.3
145.10098	6.6
145.42587	2.0
147.11670	10.2
149.09625	100.0
149.13245	26.2
151.11197	51.8
153.09122	15.6
158.10887	4.3
160.41029	1.9
163.14861	20.7
167.10776	2.0
168.62289	1.8
173.13271	30.5
174.20944	2.4
191.14305	41.7
209.15364	71.4
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
55.01858	2.2
55.05514	26.3
57.03426	2.5
57.07061	6.8
59.04992	4.1
61.07118	1.9
65.03942	2.3
67.05516	10.6
68.99779	3.3
69.03434	20.6
69.07078	18.1
69.08297	1.9
70.82771	2.2
70.83103	3.7
71.04977	5.0
72.00136	1.8
73.30265	2.2
79.05493	17.5
81.03394	1.9
81.07057	20.4
83.04990	29.1
83.08614	15.1
85.06525	6.3
89.03911	2.2
91.05476	22.9
93.07042	20.0
95.04964	11.3
95.08615	19.6
97.06535	7.4
97.10172	13.6
99.08099	16.1
103.05434	2.4
105.03423	2.0
105.07039	9.0
106.17038	1.9
107.04952	7.2
107.08598	49.6
109.06532	22.2
109.10159	20.0
111.08090	9.1
113.06004	8.0
117.03433	1.9
119.04922	8.1
119.08572	2.9
121.06494	5.9
121.10164	38.5
123.08064	8.1
123.11698	7.5
125.05978	6.1
125.09633	78.7
131.08575	5.9
133.10138	16.5
135.04416	10.5
135.08051	14.7
135.11687	8.1
137.09598	4.9
139.07535	5.5
139.11176	3.7
145.02832	4.6
145.10088	3.3
147.04439	3.8
147.08141	2.0
147.11679	8.5
149.05949	4.0
149.09624	89.4
149.13248	14.7
151.11189	49.8
153.09106	24.7
154.09827	2.8
159.04327	2.1
163.03932	20.8
163.14856	16.6
165.12804	3.7
167.10645	3.2
167.14314	8.2
173.13286	13.0
177.05463	3.1
191.03383	6.5
191.07201	2.5
191.12686	3.2
191.14314	43.8
209.08148	4.9
209.15370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	Prosopidione
Peak:m/z	Relative Intensity
53.03947	1.8
55.01851	1.1
55.05514	41.0
57.03437	1.3
59.04996	1.8
59.19214	1.1
67.05512	7.0
69.03424	3.4
69.07056	4.4
69.29013	7.9
69.29413	2.7
71.04993	6.4
79.05479	3.7
81.07068	8.5
82.11530	1.6
83.04985	46.4
83.08625	25.6
85.06531	2.4
91.05465	2.1
93.07057	6.9
95.04974	100.0
95.08602	7.1
97.06526	6.4
97.10175	6.1
99.04469	17.8
99.08103	1.4
105.07025	5.1
107.08601	12.6
109.06526	17.6
109.10155	14.8
111.04436	2.0
111.08079	9.4
113.09662	1.8
119.08554	1.7
121.06479	1.9
121.10159	7.9
122.33732	1.2
123.11712	7.5
125.09627	10.9
131.08549	2.9
133.10147	14.4
135.08051	2.9
145.10155	2.0
147.11633	1.3
149.06021	1.4
149.09673	5.6
149.13266	6.0
151.10007	1.3
151.11197	32.3
153.09116	35.3
156.61301	1.3
163.14772	2.2
166.24475	1.3
167.14340	46.8
173.13249	6.0
191.14328	6.4
209.15393	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03948	2.9
55.01877	6.2
55.05512	27.1
57.03434	5.1
57.07059	4.7
59.04985	2.3
65.03931	2.6
67.05513	12.8
68.99791	1.2
69.03156	1.0
69.03439	12.1
69.07069	21.4
70.58141	3.2
71.04615	1.1
71.04993	19.3
79.05495	42.8
81.03415	3.2
81.07056	21.5
83.04506	1.3
83.04990	29.5
83.08629	16.7
85.06548	6.2
91.05485	26.5
93.07049	52.6
93.07644	2.7
95.04977	31.2
95.08606	17.1
95.82793	1.3
97.06530	15.8
97.10165	6.6
99.04458	5.0
99.08101	9.2
103.05457	2.9
103.11862	1.1
105.04491	1.3
105.07030	27.7
107.04310	1.4
107.04964	15.2
107.08598	71.6
107.63218	1.1
109.06524	41.3
109.10169	20.1
111.04430	2.8
111.07353	1.4
111.08071	10.1
113.05992	2.4
116.06235	1.3
117.07023	5.8
119.04947	1.9
119.06003	1.1
119.08574	12.2
121.06510	28.9
121.10151	92.7
123.04497	1.2
123.08058	9.0
123.11718	7.1
125.05977	6.5
125.09637	38.4
129.06995	3.1
130.07814	1.1
131.04926	2.0
131.08572	78.6
133.06517	2.1
133.10132	20.1
134.56769	1.1
135.04410	3.5
135.08055	16.1
135.11710	9.6
137.09595	2.3
139.07552	5.0
139.11172	3.5
141.05510	1.9
143.08533	1.3
145.02766	1.4
145.09064	1.9
145.10133	28.0
147.04404	1.2
147.08037	3.9
147.11650	4.5
149.02321	3.0
149.06055	6.3
149.09630	100.0
149.13240	13.1
151.07497	1.5
151.11185	29.2
153.05495	10.5
153.09116	21.7
153.10345	1.5
154.09918	2.1
158.10962	1.2
163.03932	1.9
163.07558	1.2
163.11171	20.0
163.14825	20.6
165.09126	3.0
165.12740	4.1
167.07027	4.8
167.10646	4.6
167.14316	15.4
173.09630	3.4
173.13263	15.5
177.05504	6.5
178.03619	1.1
181.15892	1.4
189.79045	1.0
191.07153	1.1
191.10683	26.9
191.14313	37.2
194.02133	1.7
194.05637	1.2
197.97015	0.9
209.04498	13.1
209.08054	5.1
209.09755	2.5
209.11766	49.2
209.15353	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	4.5
53.56884	1.8
55.01862	5.4
55.05510	73.3
57.02488	1.8
57.03428	4.2
57.07068	3.5
59.04989	5.9
62.86330	1.9
65.03936	2.8
67.05501	13.8
67.21335	1.8
69.03424	9.6
69.07077	13.3
70.90395	4.8
71.04977	9.1
71.13461	1.8
79.05499	24.5
81.07056	25.6
83.04496	3.9
83.04980	72.9
83.08621	38.5
83.92443	1.9
85.06526	4.2
89.50195	1.8
91.05471	20.5
93.07044	42.1
95.04969	66.2
95.08620	14.0
97.06522	22.8
97.10168	10.6
99.04491	12.7
103.05482	4.3
105.07044	15.2
106.04139	3.0
107.04955	7.9
107.08598	56.9
108.90186	2.4
109.06519	62.6
109.10160	31.9
111.08077	14.5
113.09650	3.9
117.07006	2.5
119.08585	7.2
121.06503	11.2
121.10146	100.0
123.08070	6.5
123.11749	11.1
125.09650	14.6
127.11198	2.4
129.30592	1.9
131.04939	3.4
131.08537	11.0
133.10130	28.3
135.04410	4.7
135.08066	10.1
135.11676	6.4
137.05898	1.9
137.80940	1.9
145.02875	2.3
145.10097	7.2
147.04385	2.3
147.11699	3.4
149.05966	10.3
149.09628	7.7
149.13264	10.0
151.11182	45.0
153.09099	34.7
163.03880	4.7
163.11246	3.3
163.14832	26.6
167.14316	66.6
173.13307	13.6
177.05429	8.1
191.14270	29.2
204.25159	1.9
206.11433	2.0
209.04370	4.3
209.08060	5.8
209.11801	6.4
209.15359	67.7
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	2.4
55.01863	2.2
55.05512	14.9
57.03419	2.9
57.07070	3.5
59.04992	2.1
65.47083	1.6
67.05498	8.2
67.14761	1.7
69.03432	13.9
69.07075	16.8
70.09116	7.3
71.05001	10.3
79.05487	13.1
81.03434	4.3
81.07047	20.1
83.04976	22.0
83.08607	6.3
85.06525	4.1
91.05487	16.8
93.07045	14.7
95.04970	16.2
95.08611	28.0
97.02916	2.0
97.06524	6.9
99.04424	2.6
99.08083	5.4
100.74818	1.8
103.05490	3.9
105.07043	10.8
106.04163	3.3
107.04956	5.8
107.08596	47.2
109.06504	18.2
109.10146	18.1
110.10674	2.1
111.04473	3.2
111.08055	6.4
115.67773	1.7
119.04967	3.1
119.08566	6.9
121.06512	10.5
121.10149	44.2
123.08064	7.8
123.11729	7.6
125.09636	23.9
131.04997	2.0
131.08549	9.9
133.10138	18.7
135.08073	17.9
135.11696	7.4
136.08861	2.1
137.09619	5.9
139.11192	9.0
143.08496	3.4
145.02888	2.6
145.10124	5.8
147.04353	2.6
147.11678	7.5
149.05949	11.5
149.09634	20.0
149.13261	19.6
151.11180	100.0
153.09116	9.7
158.10876	4.9
163.03949	5.1
163.11075	3.0
163.14816	11.6
163.87616	2.2
165.12752	16.5
167.14302	6.1
173.13260	18.4
177.05475	8.1
181.08557	2.9
191.14313	70.6
197.14865	1.8
209.04485	2.8
209.08038	4.3
209.11749	7.4
209.15363	44.6
215.54124	1.7
223.67258	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02385	1.3
51.66629	0.8
53.03944	6.7
55.01878	7.9
55.05513	8.9
57.03429	3.0
57.07067	1.3
63.17933	0.8
65.03929	2.5
66.29585	0.9
67.05511	18.0
69.03426	4.4
69.07074	10.3
70.58235	2.6
71.01331	1.9
71.04993	19.4
77.03926	2.3
78.44389	0.8
79.05498	100.0
81.03419	12.6
81.06603	1.1
81.07063	18.1
83.01345	2.8
83.04987	14.9
83.08614	3.1
85.02936	1.1
85.06550	4.8
87.04452	1.4
87.85910	0.8
90.85809	0.7
91.05482	30.8
93.07048	43.2
93.07645	2.1
95.04971	33.8
95.08587	3.9
97.06530	8.1
99.00803	1.0
99.04454	5.0
99.08102	2.4
103.05462	10.0
105.04544	2.1
105.07033	27.8
106.04188	0.8
107.04962	30.7
107.08601	44.6
109.02885	8.6
109.06525	16.5
109.10139	5.4
109.80485	0.9
111.04450	8.4
111.08067	2.8
113.06023	1.0
114.01915	0.8
115.03951	1.3
117.07023	7.3
119.04936	2.2
119.08590	13.9
121.02943	1.2
121.06509	55.1
121.10149	26.8
123.04414	4.0
123.08085	5.2
123.11683	1.6
125.05994	9.9
125.09641	3.2
127.03928	1.8
129.07010	8.9
131.04950	7.7
131.08574	78.5
133.06496	1.6
133.10132	5.5
135.04436	1.8
135.08061	7.8
135.11699	7.5
137.05988	1.4
137.09615	2.8
139.07545	3.3
139.11127	1.6
141.05467	2.5
143.08574	2.1
145.02792	1.2
145.06544	2.1
145.10126	38.9
147.04407	4.3
147.08052	7.3
147.11722	2.4
149.04796	1.6
149.05997	34.9
149.09625	92.0
149.13274	3.8
151.07516	1.0
151.11200	4.1
153.05478	7.1
153.09082	8.1
155.07008	1.8
159.04422	9.5
163.03859	1.4
163.07547	8.5
163.09872	1.7
163.11191	31.9
163.14795	1.4
165.09119	18.1
165.12874	1.0
167.07033	5.4
167.10687	17.9
167.14339	5.5
173.09648	8.5
173.13220	2.4
177.05486	20.8
190.49977	0.9
191.07103	4.1
191.10677	56.6
191.14275	8.2
209.04507	1.4
209.08107	7.8
209.11736	80.7
209.15204	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02385	1.1
52.79256	0.4
53.00315	0.4
53.03946	4.3
55.01865	2.9
55.05510	5.3
57.03434	1.5
57.07072	1.1
59.04988	0.5
65.03947	0.8
67.05505	3.9
68.99821	0.5
69.03429	3.3
69.07068	6.0
69.56053	2.5
71.01397	0.4
71.04998	7.4
71.79879	0.4
73.03808	0.3
77.03929	1.6
79.05495	100.0
80.05834	0.4
81.03422	16.2
81.07056	8.6
81.11284	0.3
83.01342	4.0
83.04983	6.4
83.08617	2.0
85.02871	0.4
85.06559	1.0
91.05480	11.0
93.07047	14.6
95.04375	0.8
95.04971	11.6
95.08607	2.8
97.06532	3.2
97.10175	1.2
97.11604	0.4
99.04468	1.2
99.08091	1.7
103.05472	7.3
105.04509	1.8
105.07026	9.7
105.07684	0.6
106.04147	0.4
107.04958	22.8
107.08597	21.0
109.02882	12.0
109.06522	12.2
109.10162	3.3
111.04456	1.1
111.08074	1.5
113.06046	0.8
115.03951	2.3
117.07010	2.4
119.04957	1.7
119.08587	3.7
121.06507	16.4
121.10143	14.9
123.04462	0.9
123.08051	1.8
123.11728	1.2
125.05984	2.9
125.09636	8.6
127.03926	1.2
129.07018	1.5
130.07776	0.8
131.04926	5.7
131.08569	31.1
133.10124	3.5
135.04454	1.0
135.08086	3.3
135.11679	2.7
137.05972	0.6
137.09624	0.7
139.07581	1.1
139.11151	0.8
141.05453	2.8
143.08618	0.7
145.06496	0.6
145.09143	0.3
145.10126	12.4
147.04417	5.5
147.08057	1.6
147.11687	1.9
149.06018	5.9
149.09621	33.4
149.13263	2.0
151.07610	0.5
151.11177	6.1
153.05469	3.7
153.09085	4.9
158.10899	0.4
158.77344	0.4
159.04425	11.5
163.07536	1.1
163.11185	9.4
163.14807	2.2
165.09103	2.5
165.12764	0.9
167.07071	1.6
167.10649	2.0
167.14322	1.7
173.09630	1.6
173.13269	2.3
177.05484	13.1
179.07036	1.6
191.07150	2.1
191.10675	12.4
191.14301	7.0
195.06543	0.7
209.04556	0.4
209.08289	3.5
209.11739	22.8
209.15341	12.3
216.99406	0.4
225.79369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02378	1.0
52.64980	0.3
53.03948	5.1
54.70812	0.3
55.01876	3.1
55.05296	0.3
55.05514	3.4
57.03438	1.0
57.07080	0.5
65.03953	0.9
65.62595	0.3
66.70633	0.3
67.05505	7.1
69.03423	1.2
69.07068	4.3
69.52683	0.3
70.78643	1.0
71.01368	0.5
71.04991	6.1
75.24675	0.3
77.03919	1.7
79.05494	100.0
81.03420	14.6
81.07057	8.9
83.01350	4.9
83.04988	5.1
83.08614	1.4
85.02892	0.5
85.06544	2.2
91.05483	15.5
93.03384	0.4
93.07047	16.6
95.04973	10.4
95.08604	2.0
97.06530	3.6
99.00858	0.3
99.04470	1.2
99.08096	0.7
103.05465	9.4
105.03411	0.4
105.04524	2.1
105.07034	10.2
107.04957	24.0
107.08596	17.0
109.02132	0.6
109.02885	12.7
109.05801	0.7
109.06521	10.7
109.10141	1.5
111.04446	3.2
111.08118	0.7
113.05994	0.4
115.03957	2.0
115.05441	0.5
115.07557	0.9
116.06232	0.6
117.03341	0.5
117.07020	3.3
119.04935	2.0
119.08585	5.9
121.06511	20.7
121.10146	10.4
123.04442	1.9
123.08084	1.7
123.11700	0.5
125.05998	3.5
125.09631	1.1
127.03910	1.8
129.06998	2.7
130.07744	0.9
131.03397	0.4
131.04929	5.2
131.08571	30.7
133.06465	0.5
133.10136	2.8
135.04446	1.8
135.08035	2.0
135.11685	2.7
137.05951	0.9
137.09607	0.8
139.07510	1.0
141.05441	1.8
143.08408	0.3
144.58292	0.3
145.02850	0.6
145.06474	0.8
145.10127	14.8
147.04420	6.1
147.08043	2.6
147.11673	1.3
148.05199	0.9
149.02312	0.3
149.04813	0.7
149.05989	12.4
149.09624	34.7
149.13248	1.2
151.07545	0.4
151.11153	1.9
153.05438	3.4
153.09120	1.8
155.07071	0.7
155.08536	0.5
157.61047	0.4
159.04417	11.8
161.09546	0.4
163.03876	1.2
163.07553	2.7
163.11180	11.3
163.12552	0.6
163.14801	0.5
165.09123	6.8
165.12717	0.5
167.07059	1.6
167.10670	5.9
167.14297	2.1
169.44637	0.3
173.09648	2.9
173.13264	1.4
175.86513	0.3
176.04536	0.3
177.05479	15.3
179.07022	1.3
181.04918	0.4
181.08583	0.4
191.03412	0.5
191.07079	2.9
191.10664	21.4
191.14279	1.5
194.05774	0.7
195.06523	1.0
209.04385	1.0
209.08279	5.2
209.11726	31.9
209.15036	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03931	4.5
55.01870	3.8
55.05508	10.4
57.03424	5.9
57.07075	3.4
59.04990	4.2
65.03944	8.2
67.05502	21.0
69.03429	12.4
69.07069	8.7
70.79297	3.6
71.04977	4.8
74.23400	1.6
79.05490	19.1
81.03410	3.4
81.07069	19.7
82.37808	1.7
83.04980	9.1
85.02880	3.6
85.06516	5.3
91.05482	55.6
93.07040	18.3
95.04976	10.1
95.08608	33.0
97.06513	2.9
99.08077	2.3
103.05468	1.8
105.03399	1.7
105.07027	54.9
107.04972	8.7
107.08594	29.0
109.06521	34.5
109.10155	19.8
111.08060	7.8
111.25239	1.8
117.03351	1.7
117.07024	1.8
118.04147	3.6
119.04119	2.2
119.04947	31.4
119.08580	46.7
121.06502	11.2
121.10139	32.2
122.07288	2.6
123.04434	1.9
123.08077	29.0
123.11720	4.3
125.09662	1.9
128.02197	1.5
129.03355	10.1
131.08545	7.3
133.06471	7.2
133.10123	19.5
135.08041	6.2
135.11676	5.8
137.09613	100.0
139.07559	9.4
141.06912	1.6
143.08598	3.5
145.02832	19.3
145.10136	9.1
145.42020	1.7
146.03566	4.9
147.04411	36.9
147.06294	2.2
147.08070	13.3
147.11685	26.7
149.09624	36.5
151.07550	11.1
156.09314	5.8
159.08064	2.9
159.11668	3.0
161.02992	1.7
161.05974	4.6
161.09613	4.1
161.13254	35.5
163.11162	6.8
165.09042	2.8
165.12740	5.3
171.11717	7.0
174.10399	4.5
175.03914	20.9
177.05484	18.4
177.12729	4.8
179.07066	2.6
179.14287	3.7
189.05464	48.0
189.09163	2.7
189.12737	31.9
192.04207	1.8
193.05009	2.5
207.06540	26.0
207.13803	55.7
210.96112	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	3.0
55.01870	3.2
55.05510	19.9
57.03432	6.6
59.04982	11.0
65.03939	4.7
67.05509	21.0
69.03425	17.7
69.07054	11.2
70.67422	5.7
70.67774	2.9
71.04984	5.7
73.74514	2.7
79.05496	22.9
81.03379	3.7
81.07072	24.4
83.04966	11.3
85.02911	3.7
85.06535	2.8
85.50222	2.3
91.05479	49.6
91.70457	2.8
93.07060	27.1
95.04954	10.6
95.08607	36.2
97.06503	5.6
103.05438	3.3
105.07038	57.4
107.04951	9.5
107.08596	49.2
109.06522	34.9
109.10153	25.8
111.08063	8.2
113.06059	3.2
117.07014	4.3
119.04948	21.5
119.08581	67.8
121.06525	15.9
121.10146	25.9
122.07237	3.0
123.08073	67.3
123.11700	4.6
125.09681	2.8
128.50183	2.6
129.03384	8.3
129.07062	3.2
131.08559	9.2
133.06488	11.5
133.10144	20.6
135.08063	27.2
135.11656	9.5
137.09616	100.0
137.13225	5.1
139.07555	10.6
143.08540	7.6
145.02841	14.2
145.10095	9.9
146.03600	2.7
147.04430	19.6
147.08073	15.4
147.11697	61.4
149.09621	48.1
151.07513	8.3
153.09137	14.0
156.09387	12.9
159.08018	5.5
159.11673	10.6
161.09618	4.9
161.13266	53.0
163.11221	12.8
165.09152	4.2
165.12735	7.1
171.11745	12.1
174.10413	4.3
175.03918	12.8
177.05428	12.0
177.12750	5.7
179.14276	4.0
189.05473	31.8
189.12770	44.0
207.06514	12.8
207.13803	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05503	3.6
56.10406	1.3
57.07059	4.0
59.04982	1.7
65.26643	0.9
67.05507	23.9
69.03425	3.3
69.07059	3.1
70.50572	3.1
70.50924	1.7
71.05003	2.6
79.05482	4.2
81.07061	4.9
82.83005	1.0
83.04977	3.8
85.06544	9.6
89.22806	0.9
91.05481	7.4
93.07044	10.1
95.04976	3.6
95.08610	100.0
97.06496	1.4
97.29720	1.1
105.07041	13.1
107.08599	20.3
109.06501	4.3
109.10163	3.1
113.06006	6.9
119.04944	2.4
119.08582	21.7
120.09337	1.6
121.06525	3.1
121.10145	17.8
123.08070	51.4
123.11702	6.2
131.08556	3.2
133.06453	2.6
133.10170	5.0
135.08078	2.9
135.11696	5.3
137.01726	1.1
137.09607	4.4
143.08574	2.2
145.10127	1.8
147.04451	1.7
147.08037	5.4
147.11707	11.5
149.09622	68.7
151.07547	2.2
151.14824	3.8
156.09348	2.3
161.09708	1.4
161.13266	18.8
165.09111	1.7
165.12776	12.2
171.11682	5.3
174.10411	3.2
179.14375	2.0
189.05458	1.6
189.12749	22.9
207.11903	2.3
207.13812	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02394	1.2
52.10525	0.6
53.03955	6.2
55.01876	2.5
55.05515	9.3
56.96563	1.8
57.03436	1.8
57.07082	0.8
64.71151	0.6
65.03939	4.1
67.05511	27.1
68.99805	0.8
69.03441	2.0
69.07077	7.3
70.39796	1.5
71.04989	2.5
73.06564	1.3
77.03925	2.0
79.05499	56.3
79.62051	0.8
81.03419	2.0
81.07064	23.9
83.04987	3.9
83.08604	3.7
85.02901	1.1
85.06546	2.9
91.05489	60.8
93.07050	100.0
95.04977	12.2
95.08609	13.9
97.06550	1.8
97.10182	1.1
99.04426	0.8
101.02407	0.8
103.05493	1.7
105.03364	0.8
105.04523	3.8
105.07035	30.1
107.04988	4.5
107.08596	12.6
109.06532	6.6
109.10178	2.2
111.08130	1.0
115.96465	3.4
116.97224	0.7
117.07018	4.7
119.04949	10.4
119.08590	16.5
121.06522	2.0
121.10149	2.7
123.04490	0.8
123.08070	6.0
127.07589	1.7
128.06253	1.3
129.03375	2.9
129.07019	10.5
131.08565	1.9
133.06517	1.6
133.10150	6.2
133.97447	1.1
135.08067	0.9
135.11758	0.8
137.09637	2.1
140.48611	1.0
143.03654	1.1
143.08591	5.3
145.02876	4.6
145.10152	7.1
147.04428	11.2
147.08060	2.5
147.11697	48.7
149.09657	2.4
151.07501	2.2
161.02887	1.0
161.05962	1.5
161.09642	4.7
161.13234	9.2
163.11153	1.4
165.05467	1.2
171.11702	24.3
175.03931	7.6
177.05406	3.7
178.07835	1.9
179.08572	3.5
184.04530	0.9
189.05458	8.2
189.09120	1.0
189.12761	11.0
189.16472	0.7
192.09334	1.0
193.04881	0.8
207.06532	9.7
207.09799	1.0
207.11723	3.0
207.13794	33.7
207.15767	1.7
225.14847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	Phellodenol A
Peak:m/z	Relative Intensity
65.03933	7.0
68.99325	0.6
68.99801	0.7
69.00508	0.6
69.76730	4.0
79.05500	4.3
87.58537	0.7
89.03904	1.5
91.05479	59.4
95.01298	0.7
103.05459	1.0
105.03398	0.9
105.07008	1.4
107.04965	1.1
115.05407	1.0
117.03363	2.4
118.04165	7.7
119.04940	52.4
119.81163	0.7
129.03371	17.5
133.06476	3.9
145.02850	23.4
145.22620	0.8
146.03606	5.1
147.04408	47.1
159.46260	0.7
161.05989	4.4
165.05470	1.7
175.03905	25.0
176.04665	0.9
177.05463	22.2
179.07028	1.7
189.05461	100.0
193.95882	0.8
205.04987	0.9
206.05614	0.8
207.04565	1.4
207.06528	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	207.0652
Annotation	Phellodenol A
Peak:m/z	Relative Intensity
60.19732	0.7
65.03943	7.7
70.84333	1.3
70.84669	1.3
77.03882	0.8
79.05505	5.6
91.05487	67.2
95.01351	1.0
103.05444	2.0
105.03385	1.9
105.07046	1.8
107.04975	2.2
117.03360	1.8
118.04160	4.5
119.04947	61.4
129.03375	19.0
131.04958	0.9
133.06503	4.5
137.05956	0.8
145.02852	19.8
146.03632	4.6
147.04419	58.4
147.61021	0.8
161.06004	5.3
165.05547	1.4
175.03911	23.8
176.04538	0.8
177.05481	22.6
179.07050	2.8
189.05476	100.0
205.05045	2.1
207.04584	1.4
207.06532	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0654
Annotation	Phellodenol A
Peak:m/z	Relative Intensity
51.07248	0.7
53.00317	0.9
55.01886	1.5
57.03452	1.3
58.85350	0.6
61.02940	2.1
62.84528	0.7
65.03944	8.3
70.74172	1.1
70.74529	1.3
79.05519	2.5
91.05486	32.8
96.37019	0.6
98.49107	0.6
102.00953	0.6
103.00658	1.3
103.05502	1.5
105.07047	2.1
115.05468	1.0
117.03406	2.9
118.04165	7.2
119.04951	33.8
121.01670	0.8
129.03378	23.7
131.04942	1.0
133.06497	5.4
143.01909	1.4
145.01740	1.0
145.02843	30.3
146.03622	6.0
147.03239	1.4
147.04422	25.8
161.02922	3.5
161.05954	6.3
165.05534	1.3
165.96550	1.0
175.03918	20.6
176.04544	1.1
177.05476	27.2
179.07027	1.8
183.97679	0.7
184.04579	1.8
189.05478	100.0
190.05844	1.2
205.05016	1.2
206.97110	0.7
207.06532	30.8
224.06860	0.7
225.06526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31902	0.5
65.03944	6.1
70.69149	1.0
70.69515	1.0
77.03931	0.6
79.05502	7.4
79.91402	0.6
91.05484	100.0
92.40301	0.7
95.01340	0.7
101.02400	0.7
103.05455	1.0
105.03409	1.4
105.07063	0.8
106.50296	0.5
107.04958	1.6
117.03400	0.6
118.04177	3.3
119.04945	80.0
129.03378	8.1
133.06464	4.1
137.06010	0.8
145.02837	4.0
146.03658	1.1
147.04414	82.9
161.05972	3.3
165.05449	4.2
175.03917	25.1
177.05486	4.1
179.07086	1.8
189.05475	31.6
193.04901	0.9
206.35979	0.5
207.06534	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	207.0653
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
50.77114	0.5
53.03950	0.9
65.03937	6.4
68.39732	0.6
68.99798	0.6
70.69357	1.2
79.05489	8.0
84.61881	0.6
87.47871	0.6
91.05481	100.0
93.07082	0.6
95.01261	0.6
103.05470	1.5
105.03385	2.5
105.07037	1.1
107.04956	2.0
118.04151	2.8
119.04943	85.8
129.03343	6.1
130.09351	0.6
131.04889	0.7
133.06503	5.6
137.05948	1.0
143.93097	0.6
145.02873	3.4
146.03604	1.0
147.04410	91.9
161.05951	2.9
165.05495	5.1
175.03914	29.2
177.05501	3.4
177.06819	0.9
179.06990	1.7
189.05469	26.7
191.58812	0.6
207.06508	6.2
207.13776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	Phellodenol A
Peak:m/z	Relative Intensity
55.55062	1.0
65.03944	11.5
69.53024	6.5
79.05499	6.8
89.03918	2.9
91.05482	83.0
93.03383	1.0
95.01270	1.1
102.04622	1.1
103.05479	1.0
105.03381	1.8
105.06969	2.0
107.04941	2.7
115.05423	1.7
117.03352	4.8
118.04188	8.7
119.04942	78.1
120.88914	0.9
125.51199	0.9
128.17220	0.9
129.03377	25.4
130.13348	1.0
131.04913	2.3
133.06512	5.5
145.02844	31.4
146.03619	7.2
147.04413	68.3
161.05978	7.5
165.05464	1.6
173.02409	0.9
175.03909	26.0
176.04695	1.5
177.05470	33.1
179.06937	1.6
189.05469	100.0
193.04878	1.4
205.05133	1.0
207.06529	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	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49782	1.5
57.20568	1.5
60.28678	1.3
65.79261	1.3
69.17445	12.3
69.17849	3.9
82.99837	4.7
88.08331	1.6
95.24519	1.4
100.02454	1.7
101.00883	32.2
103.00624	2.6
119.01923	39.7
121.01659	2.1
124.02467	11.5
137.02965	5.3
142.03502	100.0
160.04570	18.5
165.05083	4.5
166.02286	1.6
183.06219	3.7
201.02429	2.5
222.39832	1.6
224.03915	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54873	2.1
98.76156	0.8
101.34827	0.8
107.88306	0.9
115.73840	1.0
205.06856	100.0
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
50.65123	0.6
53.03937	1.9
55.01871	1.5
55.05511	4.5
56.96557	1.7
57.03413	0.9
57.07077	11.9
58.06584	2.0
59.30946	0.6
65.03939	15.8
67.05506	5.4
69.03416	2.6
69.07067	8.9
69.47833	2.3
69.48257	2.1
71.08618	0.9
79.05487	5.6
81.03409	2.7
81.07055	24.4
83.08611	3.3
84.04488	0.8
84.72032	0.6
85.02905	2.7
87.08630	0.6
89.03937	3.9
91.05486	4.3
93.03405	1.4
93.07041	24.5
95.04940	0.7
95.08610	15.1
97.02291	1.0
97.02888	10.7
97.10179	2.0
99.04449	1.7
100.99129	0.6
105.07022	2.9
107.08598	13.3
109.02863	7.4
109.10154	12.4
111.04421	0.9
111.11710	2.0
113.96371	1.3
115.05438	0.8
117.03387	2.8
117.07011	1.0
118.04099	1.1
119.08582	1.4
121.02858	10.1
121.03966	2.7
121.06479	3.2
121.10141	51.2
123.11691	6.5
126.05552	0.9
127.03912	3.3
127.05844	1.9
131.97383	0.7
135.11697	10.4
139.03894	0.6
145.02843	26.3
145.06615	0.9
145.10083	1.3
147.11612	0.7
149.02345	100.0
149.09622	0.8
149.13263	19.4
159.11676	1.1
159.45169	0.7
160.07559	1.4
162.03079	0.9
163.02811	0.9
163.14799	2.0
173.02324	5.2
177.05435	1.9
177.09189	0.7
177.12781	1.7
186.35466	0.7
187.11212	1.0
190.04953	1.1
191.03366	2.1
205.04973	66.4
205.06747	4.2
205.08907	2.7
205.12213	3.1
205.14030	1.4
205.15910	1.1
205.19527	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	205.0495
Annotation	Cerbinal
Peak:m/z	Relative Intensity
55.01845	0.4
55.35705	0.4
56.42002	0.3
64.37985	0.4
65.03941	13.5
65.04285	0.7
70.81087	0.8
79.05479	0.8
89.03913	5.9
91.05488	0.7
103.05457	0.6
105.03419	0.3
105.07022	1.5
106.04200	0.4
107.08572	0.4
117.03388	6.9
118.04135	1.4
121.02861	0.3
121.06480	1.4
122.51661	0.4
124.73924	0.4
134.03636	0.5
135.04384	0.9
145.02844	39.0
149.02354	0.8
149.05946	1.1
162.03099	1.2
173.02338	3.7
176.04663	0.9
177.05490	2.6
205.04962	100.0
206.05307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.02341	1.1
55.05508	4.9
56.96553	1.5
60.04516	1.0
62.58193	0.9
65.36120	0.9
67.05180	1.4
67.05507	11.2
69.03407	1.0
69.07059	3.9
79.05470	5.0
81.06597	1.6
81.07053	25.2
81.39413	0.9
82.01421	1.3
83.08614	2.1
84.04482	0.9
91.05477	8.7
93.07047	17.2
94.66779	0.9
95.08608	39.0
96.00320	1.1
96.04504	1.3
97.02931	1.1
100.02473	2.8
105.07034	24.8
107.08591	23.5
109.10157	56.5
111.11749	1.6
111.25591	0.9
112.69965	0.8
118.03473	1.6
118.27464	1.0
119.08566	16.2
121.10154	9.3
123.11693	3.4
125.09638	1.4
126.05474	1.7
131.08543	2.1
133.10143	13.8
135.11688	1.8
143.08568	1.4
145.10162	1.2
147.11693	33.9
157.10103	1.6
161.09636	1.4
161.13252	10.9
175.07518	1.4
175.14861	3.4
179.97914	1.3
189.48770	1.1
197.99219	2.3
203.05345	1.2
203.06940	4.5
203.08841	1.3
203.10692	3.6
203.14326	7.0
203.17961	100.0
204.08514	1.1
204.13882	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03936	1.7
55.05512	8.7
56.96549	1.3
57.07059	2.5
60.54613	0.8
61.75673	0.7
65.03929	1.4
67.05503	35.6
67.21389	0.8
69.06734	1.3
69.07074	19.0
79.05485	7.3
81.07056	47.8
83.08631	6.3
91.05478	11.0
93.06487	1.6
93.07041	18.1
93.97833	0.9
95.08607	65.3
97.10147	2.2
98.21545	1.5
99.17093	0.8
105.07034	51.6
107.08597	24.3
109.10156	92.7
117.06966	1.4
119.08582	44.2
121.10142	18.7
123.11717	8.7
131.08531	2.7
133.10130	28.1
135.11710	6.0
144.52533	0.8
145.10146	5.1
147.11688	67.7
148.12413	1.0
159.11694	2.4
160.05267	0.9
160.12466	2.2
161.13252	21.3
175.14812	7.5
184.18713	0.9
203.07043	2.1
203.10735	2.2
203.17957	100.0
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	Tenuifolene
Peak:m/z	Relative Intensity
53.03934	0.9
54.98816	0.6
55.02973	0.6
55.05508	9.0
57.07061	2.1
60.04531	0.7
61.83545	0.6
67.05504	27.2
68.43656	0.7
69.07066	15.7
69.27606	5.4
76.70153	0.7
79.05495	8.7
81.07054	33.6
83.08606	4.7
91.05477	11.7
93.07046	16.9
95.08607	52.2
97.02914	0.7
97.10152	2.3
97.10741	0.9
103.05473	0.9
105.07031	46.4
107.07880	1.4
107.08594	22.7
109.06527	0.9
109.10156	62.9
115.05387	0.7
117.07013	1.6
119.08580	44.6
121.10149	14.9
123.11692	6.5
128.06206	0.9
129.07018	1.5
131.08553	2.6
133.10135	50.6
135.11688	5.7
143.08554	1.9
145.06462	1.0
145.10094	4.7
147.11685	56.4
148.12404	0.9
157.10135	1.5
159.11650	2.5
160.12448	3.1
161.13252	19.4
174.14024	1.1
175.07602	1.2
175.14830	7.9
177.76215	0.7
185.13272	3.8
188.04736	0.6
203.03369	0.7
203.05373	0.8
203.07016	4.0
203.10675	3.2
203.14261	2.9
203.17957	100.0
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
53.03961	0.9
55.05510	11.0
56.96546	1.3
57.07062	2.6
65.70453	0.7
67.05503	15.8
69.03426	1.1
69.07067	16.9
70.05601	3.3
71.90727	0.8
79.05501	7.7
81.07059	20.5
83.08609	3.5
91.05487	18.3
93.07046	17.1
95.08608	34.8
97.10155	2.7
105.07036	54.3
107.08598	19.7
109.06532	1.0
109.10156	27.7
117.07015	2.5
118.07841	1.1
119.08588	43.2
121.10138	13.8
122.97318	0.8
123.11720	5.9
129.07016	1.5
131.08557	4.5
131.30670	0.7
133.10133	71.7
134.35048	0.8
135.11729	4.4
142.07793	1.1
143.08554	3.9
145.10129	5.0
147.08009	1.4
147.11690	45.0
149.01236	0.9
157.10155	2.2
159.11740	3.6
159.12854	0.9
160.12440	2.1
161.12004	1.3
161.13272	21.1
169.83403	0.7
170.10959	1.0
173.13284	0.9
174.14032	1.3
175.14839	11.2
183.23230	0.8
185.13225	5.9
203.07054	2.4
203.08778	1.0
203.10677	2.1
203.14394	11.8
203.17961	100.0
205.51912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03934	1.2
55.05509	8.3
56.96541	1.3
57.07061	2.8
58.28971	0.8
60.04504	1.8
67.05504	11.3
69.03405	1.0
69.07065	10.1
71.08643	1.0
73.98106	0.9
79.05494	4.4
81.07052	14.5
81.07514	1.2
83.08618	3.3
91.05476	10.7
93.07044	11.0
95.04950	1.3
95.08604	33.1
97.10162	2.3
99.04456	0.8
105.07032	36.0
107.07880	1.2
107.08591	16.9
109.10155	25.3
117.06999	1.5
119.08581	37.6
121.10139	11.2
123.11661	3.9
129.07016	1.5
131.08586	4.1
133.10124	54.6
135.11690	3.7
143.08513	1.3
145.10118	5.9
147.11685	42.7
150.02614	1.1
159.11711	3.6
160.12450	3.0
161.09692	1.0
161.11987	1.4
161.13264	20.1
173.13370	1.1
174.14053	2.1
175.07617	1.9
175.11137	0.9
175.14822	8.5
178.51335	0.9
185.13260	1.0
188.08336	1.3
188.15622	1.1
203.07047	3.5
203.10562	4.0
203.14290	3.5
203.17958	100.0
203.21902	6.6
204.13708	1.1
222.03835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56265	5.1
55.05493	24.1
56.96556	15.3
57.07036	6.2
60.04520	7.9
62.50159	6.0
66.22133	5.6
67.05502	39.0
69.03434	39.1
69.07059	27.5
69.57504	40.9
70.28938	5.1
79.05499	65.6
81.07056	59.8
83.04967	19.4
84.08172	9.0
85.57702	5.5
86.09708	11.2
91.05482	31.5
93.07050	92.9
95.04958	17.1
95.08614	76.5
97.02889	86.3
97.06521	14.8
98.97581	18.3
101.00902	10.1
101.03925	6.3
105.07024	29.6
107.04929	5.6
107.08580	24.0
109.10181	18.1
111.04439	27.1
115.05503	10.7
116.98611	10.5
119.01917	19.0
119.08569	27.8
120.96502	7.5
121.06505	8.9
121.10137	100.0
123.08051	11.0
125.05961	13.0
128.06172	7.5
129.07011	11.7
131.08568	25.9
133.06488	5.8
133.10107	16.6
139.11182	20.1
142.07800	14.5
143.01903	11.2
143.08601	12.6
145.10060	9.4
147.04408	20.2
147.08044	11.4
147.11653	9.5
149.09578	40.7
157.06482	6.5
157.10170	13.6
157.12265	10.1
161.02986	20.4
161.09647	11.7
167.10696	81.2
171.04446	7.8
175.07516	11.4
175.11131	9.8
178.44212	6.2
179.97804	6.3
181.48543	6.1
185.05824	6.2
185.09650	8.6
185.13197	8.8
188.08318	7.6
203.03391	26.6
203.05252	21.5
203.06834	44.2
203.10674	36.6
203.14351	41.1
203.17918	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	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.86391	0.7
52.70928	0.7
55.05502	3.2
55.61791	0.7
56.96560	2.5
57.03424	1.0
57.07067	2.5
67.05511	7.8
69.07078	5.8
71.05769	1.2
71.06114	1.0
71.08642	1.7
79.05503	8.4
81.06597	1.1
81.07061	13.8
83.08638	1.7
91.05486	10.7
93.07050	17.5
95.04964	1.8
95.08617	17.1
98.97588	3.3
99.97923	1.3
105.07039	25.1
107.07883	1.4
107.08598	18.1
109.06503	1.7
109.10156	7.4
115.05447	1.8
116.06194	1.4
116.98621	2.1
117.07029	14.1
118.96766	3.0
119.08589	20.0
121.10159	10.7
121.33022	0.8
123.11674	0.9
127.03957	4.7
128.06241	1.2
129.06992	3.3
130.07840	6.1
131.08572	32.5
133.10146	7.5
133.99124	1.4
135.99997	1.3
137.05980	2.3
141.03857	0.8
141.05423	1.3
142.07767	1.5
143.08551	6.9
144.09351	4.9
145.06468	1.8
145.10133	86.5
146.10851	1.9
150.04352	1.5
154.96484	1.2
155.07062	1.0
155.08565	1.4
157.10194	5.8
158.07253	0.9
158.10938	4.6
159.11703	59.5
165.05490	1.2
171.11676	3.1
172.12430	1.8
173.05952	2.0
173.09616	1.8
173.13272	14.2
177.98085	3.3
183.06532	1.8
183.11838	1.5
186.14047	2.1
199.14824	1.1
201.05409	6.4
201.09097	6.6
201.12697	2.6
201.16396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1122
Annotation	4-epi-Alyxialactone
Peak:m/z	Relative Intensity
53.03933	2.6
54.09733	1.7
55.01865	6.4
55.05502	5.2
55.47916	1.7
56.96543	1.9
57.03431	2.7
61.10300	1.8
62.72420	1.5
67.05508	16.7
69.07047	2.9
70.87830	3.0
71.04990	4.8
73.02926	23.8
77.03894	1.8
79.05071	2.8
79.05498	39.0
81.07065	15.3
83.04982	9.0
86.09702	2.3
91.05482	14.6
92.39581	1.6
93.07047	46.5
95.04968	12.2
95.08615	38.8
97.05930	2.7
97.06535	31.1
98.97584	8.4
105.07041	45.4
107.04958	30.6
107.08598	24.0
109.06487	3.1
109.10153	21.6
111.04415	2.3
111.08070	6.2
116.98598	2.1
117.07009	8.4
118.96740	3.9
119.08595	49.7
121.06491	2.1
121.10149	44.3
123.04399	3.0
123.08071	52.3
125.06009	4.2
125.09631	2.8
133.99106	3.0
135.08054	31.7
137.08682	3.1
137.09631	40.0
140.84349	1.8
141.05502	3.5
141.09120	4.4
147.08057	22.1
153.09114	89.3
165.09129	100.0
177.98099	3.4
183.10178	32.8
183.62074	1.7
196.77350	1.8
201.11226	70.9
214.96294	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.5
55.01866	10.3
55.05519	5.1
56.96559	9.2
57.03440	42.9
59.22809	2.4
59.30772	3.0
61.02924	21.9
62.47148	2.6
64.75355	2.6
69.03433	53.2
70.03759	2.7
70.99831	4.3
71.01346	3.4
71.04988	23.6
72.08148	6.7
73.02926	49.0
75.04461	5.2
75.88099	3.3
81.01898	3.4
81.03419	27.7
81.07044	3.5
82.01417	3.7
82.99841	8.2
83.04980	10.7
84.01206	4.0
84.04498	4.7
85.02913	41.3
86.03699	19.2
87.01896	4.3
87.04465	15.2
89.00877	3.9
90.02407	3.9
91.05494	6.2
93.01909	5.1
94.02672	11.5
96.02393	6.8
97.02906	9.5
98.97594	100.0
99.01903	3.8
99.04453	13.1
100.02600	10.6
100.05244	30.5
101.00892	45.3
101.03471	4.0
102.00982	7.2
102.02385	13.4
103.00699	4.3
103.02425	3.3
103.03221	8.0
103.03931	4.0
108.02393	7.8
108.08121	5.6
109.02832	17.4
110.06032	3.2
111.02932	10.0
111.04492	6.0
112.02687	3.6
112.03719	12.7
113.00892	17.0
114.02430	7.9
115.02430	7.3
115.03194	6.8
116.98640	50.4
117.02937	9.8
118.01162	3.6
118.03662	8.6
119.01938	42.2
120.02061	3.9
121.01682	6.7
121.03446	4.0
121.04230	20.0
121.54324	12.0
122.04039	7.0
122.06039	7.1
123.02966	11.8
124.03713	6.3
126.03477	4.9
127.02384	3.7
127.03990	9.8
129.02946	8.6
129.05504	7.8
130.03708	13.0
131.01921	26.6
131.04524	7.3
132.03453	10.6
132.53601	3.9
133.01598	3.9
133.03412	6.0
133.04245	13.0
133.54300	4.0
134.03874	4.7
134.99681	9.6
136.03703	7.2
136.07581	9.6
137.02971	4.3
137.04504	9.7
137.05942	3.4
138.03401	4.2
138.05185	2.9
139.02411	10.3
139.04227	21.0
140.00208	4.4
140.04977	3.9
140.07072	8.7
141.03909	4.3
141.05464	3.3
142.01118	8.8
143.01941	29.1
145.03244	5.3
145.04332	27.5
146.04982	13.3
147.04442	8.6
148.04752	31.8
149.03012	3.6
153.03976	4.6
154.03537	9.6
154.04761	27.5
154.08665	8.1
154.54865	8.6
155.01884	6.2
155.05634	4.4
157.03413	31.2
158.03737	4.4
159.01363	3.8
159.03273	4.2
160.02203	5.7
160.04793	8.6
161.02948	17.0
161.05569	7.4
163.02739	4.6
163.05252	12.4
163.55391	6.9
166.04762	4.7
167.02077	4.7
168.01437	5.7
169.03831	4.6
169.05241	27.1
172.02721	3.3
173.02946	8.4
175.04480	9.8
176.04463	3.7
177.00781	8.2
177.02446	16.7
177.04071	5.5
181.55272	3.2
182.02991	5.5
182.06113	6.9
182.08035	6.9
183.08537	6.5
183.11298	5.8
184.05840	11.9
185.02931	5.0
187.04520	5.9
187.29825	3.3
191.06654	20.1
191.56760	4.9
199.04462	5.6
200.04219	21.8
200.07140	89.8
200.09087	7.8
200.57254	13.6
205.05608	26.3
206.05840	4.9
218.05374	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	200.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.5
55.01866	10.3
55.05519	5.1
56.96559	9.2
57.03440	42.9
59.22809	2.4
59.30772	3.0
61.02924	21.9
62.47148	2.6
64.75355	2.6
69.03433	53.2
70.03759	2.7
70.99831	4.3
71.01346	3.4
71.04988	23.6
72.08148	6.7
73.02926	49.0
75.04461	5.2
75.88099	3.3
81.01898	3.4
81.03419	27.7
81.07044	3.5
82.01417	3.7
82.99841	8.2
83.04980	10.7
84.01206	4.0
84.04498	4.7
85.02913	41.3
86.03699	19.2
87.01896	4.3
87.04465	15.2
89.00877	3.9
90.02407	3.9
91.05494	6.2
93.01909	5.1
94.02672	11.5
96.02393	6.8
97.02906	9.5
98.97594	100.0
99.01903	3.8
99.04453	13.1
100.02600	10.6
100.05244	30.5
101.00892	45.3
101.03471	4.0
102.00982	7.2
102.02385	13.4
103.00699	4.3
103.02425	3.3
103.03221	8.0
103.03931	4.0
108.02393	7.8
108.08121	5.6
109.02832	17.4
110.06032	3.2
111.02932	10.0
111.04492	6.0
112.02687	3.6
112.03719	12.7
113.00892	17.0
114.02430	7.9
115.02430	7.3
115.03194	6.8
116.98640	50.4
117.02937	9.8
118.01162	3.6
118.03662	8.6
119.01938	42.2
120.02061	3.9
121.01682	6.7
121.03446	4.0
121.04230	20.0
121.54324	12.0
122.04039	7.0
122.06039	7.1
123.02966	11.8
124.03713	6.3
126.03477	4.9
127.02384	3.7
127.03990	9.8
129.02946	8.6
129.05504	7.8
130.03708	13.0
131.01921	26.6
131.04524	7.3
132.03453	10.6
132.53601	3.9
133.01598	3.9
133.03412	6.0
133.04245	13.0
133.54300	4.0
134.03874	4.7
134.99681	9.6
136.03703	7.2
136.07581	9.6
137.02971	4.3
137.04504	9.7
137.05942	3.4
138.03401	4.2
138.05185	2.9
139.02411	10.3
139.04227	21.0
140.00208	4.4
140.04977	3.9
140.07072	8.7
141.03909	4.3
141.05464	3.3
142.01118	8.8
143.01941	29.1
145.03244	5.3
145.04332	27.5
146.04982	13.3
147.04442	8.6
148.04752	31.8
149.03012	3.6
153.03976	4.6
154.03537	9.6
154.04761	27.5
154.08665	8.1
154.54865	8.6
155.01884	6.2
155.05634	4.4
157.03413	31.2
158.03737	4.4
159.01363	3.8
159.03273	4.2
160.02203	5.7
160.04793	8.6
161.02948	17.0
161.05569	7.4
163.02739	4.6
163.05252	12.4
163.55391	6.9
166.04762	4.7
167.02077	4.7
168.01437	5.7
169.03831	4.6
169.05241	27.1
172.02721	3.3
173.02946	8.4
175.04480	9.8
176.04463	3.7
177.00781	8.2
177.02446	16.7
177.04071	5.5
181.55272	3.2
182.02991	5.5
182.06113	6.9
182.08035	6.9
183.08537	6.5
183.11298	5.8
184.05840	11.9
185.02931	5.0
187.04520	5.9
187.29825	3.3
191.06654	20.1
191.56760	4.9
199.04462	5.6
200.04219	21.8
200.07140	89.8
200.09087	7.8
200.57254	13.6
205.05608	26.3
206.05840	4.9
218.05374	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	199.0965
Annotation	Modiolide A
Peak:m/z	Relative Intensity
53.03938	1.1
55.01863	3.0
58.71367	1.0
61.02931	17.6
65.03965	1.0
67.05507	5.7
69.51022	3.9
69.51440	3.0
70.83510	1.0
71.01343	1.1
77.03916	1.5
79.05493	20.4
81.07060	11.7
91.05479	20.4
93.07048	33.5
95.04965	5.6
95.08601	1.8
96.83336	1.2
103.05478	13.2
105.07036	3.1
107.04952	4.8
107.08606	9.9
109.06525	9.4
111.04396	1.2
115.05477	10.3
117.07023	38.8
119.04932	8.1
121.06509	24.6
125.02359	3.8
133.06526	2.3
135.08057	41.8
137.05983	4.2
139.06734	0.8
139.07539	35.8
145.06491	40.8
153.09120	4.1
163.07545	100.0
181.07127	1.5
181.08620	25.3
199.09671	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0965
Annotation	Modiolide A
Peak:m/z	Relative Intensity
53.03933	2.0
55.01860	2.9
57.03414	1.4
61.02932	15.0
65.03918	1.8
66.06250	1.1
67.05485	5.6
69.03446	1.2
69.25379	1.0
71.00517	1.3
71.01347	2.0
79.05494	19.8
81.03400	1.7
81.07052	12.5
91.05488	20.7
91.59672	1.1
93.03419	1.1
93.07046	28.3
95.04972	6.7
95.08566	1.1
97.02897	1.0
103.05463	11.5
105.07011	3.8
105.33707	1.5
107.04970	5.3
107.08590	7.1
109.06541	8.5
115.05467	11.6
117.07021	35.2
119.04941	7.3
119.06041	1.2
120.05714	1.3
121.06509	29.1
125.02359	2.6
131.16141	1.2
135.04454	1.8
135.08054	39.4
137.05983	4.1
139.07539	32.7
145.06487	37.0
153.09070	2.7
163.07547	100.0
181.08598	25.6
199.09700	2.2
199.18846	1.1
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	Gardendiol
Peak:m/z	Relative Intensity
52.74674	1.0
53.03952	2.3
55.01860	3.3
55.05508	1.4
57.03440	1.1
61.02925	15.3
67.05508	7.6
69.07098	1.1
69.48993	7.8
71.01360	1.3
75.50855	0.9
77.03902	1.4
79.05492	19.8
80.55045	1.0
81.07047	10.6
81.70438	1.1
89.19584	0.9
91.05476	24.2
93.03381	1.3
93.07046	39.3
95.04973	6.3
95.08588	1.5
103.05476	12.5
105.04462	1.2
105.07044	7.9
107.04942	6.0
107.08592	7.2
109.06518	9.0
115.05451	11.7
117.07019	32.8
117.07854	1.6
119.04925	5.5
121.06504	31.0
125.02367	3.9
133.06479	1.7
135.08060	38.9
137.05995	5.4
139.07542	36.2
145.06485	40.7
145.07645	1.9
149.05988	12.9
153.09132	4.1
163.07544	100.0
177.20386	1.3
181.08589	23.9
185.57257	1.2
199.09674	2.3
199.18889	5.0
201.13712	1.0
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	Kobifuranone A
Peak:m/z	Relative Intensity
52.78669	0.8
53.03955	0.9
55.05510	2.0
57.03469	0.6
57.07079	1.3
59.05001	2.7
59.61207	0.6
65.03917	0.7
67.05508	3.9
69.03429	0.9
69.07082	1.0
69.29534	1.4
69.29942	5.5
70.95869	7.2
72.93795	3.2
79.05489	5.6
81.03436	0.9
81.07053	5.1
83.04943	0.8
85.06527	0.7
88.96867	0.7
90.94803	0.8
91.05479	15.7
93.07050	21.7
95.04976	6.8
95.08638	3.6
97.06529	1.0
105.07039	24.8
107.08598	60.8
109.06547	4.7
109.10162	5.6
111.98494	7.5
112.86783	0.6
113.06004	0.8
113.96410	1.0
114.94763	0.7
117.07001	1.4
119.04956	2.4
119.08587	4.7
121.06474	5.1
121.10091	0.8
123.04462	3.4
123.08067	1.8
123.11722	3.0
129.99515	2.3
131.08574	2.8
132.95848	13.9
133.06522	1.3
133.10136	59.3
135.08078	1.5
135.11697	55.5
137.05994	2.8
137.09601	4.3
143.08572	1.8
146.07257	1.5
148.82971	0.8
150.96895	9.5
151.07613	0.9
151.11154	4.4
155.97433	10.3
161.09621	30.2
161.10965	1.5
173.98497	11.4
179.10681	98.3
180.21912	0.7
189.85347	0.8
197.00194	0.8
197.11740	100.0
198.18579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Phenol A
Peak:m/z	Relative Intensity
53.03940	2.4
55.01863	1.8
55.05506	2.4
56.96573	0.7
57.03444	0.7
57.07056	1.0
59.05002	2.3
65.03928	0.9
67.05499	6.7
69.03413	2.4
69.07044	2.8
69.27518	6.7
70.95869	14.8
71.01348	1.5
71.04976	0.9
72.93787	7.6
79.05495	9.8
81.03416	1.3
81.07054	12.6
83.04959	1.4
85.06544	1.5
88.96883	2.4
90.94802	1.1
91.05483	19.1
93.07052	22.4
93.74781	0.7
95.04976	10.7
95.08603	6.0
97.06538	1.9
98.97592	2.3
105.03400	16.2
105.07037	30.0
107.04949	2.1
107.08598	58.2
109.06510	7.8
109.10175	6.2
111.04469	0.9
111.98482	17.9
111.99240	1.3
113.05996	0.8
113.96394	1.3
114.94746	1.2
115.05469	1.5
117.07031	1.7
119.04935	3.5
119.06010	1.4
119.08575	7.8
121.06522	6.1
121.10165	1.2
123.04446	4.8
123.08064	3.1
123.11738	4.0
125.05971	3.0
127.03834	1.0
129.99539	6.4
131.08542	2.8
132.95840	38.5
133.06526	4.9
133.10136	55.4
135.08087	2.1
135.11699	50.2
137.05980	8.1
137.09605	4.8
139.07564	1.0
143.08601	1.9
146.07285	1.8
147.04407	2.2
149.05962	1.7
150.96898	28.8
151.03905	1.8
151.07573	3.9
151.11157	5.5
153.09167	0.9
155.97423	26.3
161.06006	2.1
161.09619	32.6
165.05534	1.3
167.10732	0.9
170.87613	0.8
173.98500	29.4
178.59615	0.8
179.07364	4.2
179.10678	100.0
179.14186	2.2
196.58693	1.1
197.00110	1.5
197.07962	4.4
197.11734	78.4
197.15378	2.0
198.18636	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.066
Annotation	L-Galactonate
Peak:m/z	Relative Intensity
53.03948	2.2
55.01873	3.6
56.26019	1.8
56.96568	4.7
57.03439	42.6
59.05006	2.9
59.11085	2.0
59.91145	1.7
61.02939	10.1
61.03188	1.8
67.05514	2.5
69.03435	38.5
69.03809	1.5
70.95869	43.4
71.12723	4.4
72.93784	22.2
73.02920	73.5
79.05508	2.5
81.03402	3.7
81.07049	1.9
82.01439	2.4
82.99863	3.7
84.08109	2.9
85.02915	22.7
86.82407	1.9
86.99288	1.8
87.04012	1.9
87.04458	11.1
88.96897	3.6
91.05491	7.7
93.07047	3.8
94.99823	2.4
95.05003	2.0
97.01398	5.0
97.02895	28.4
98.97599	4.2
100.02471	3.1
101.00880	22.1
102.02215	2.1
103.02421	4.1
105.07033	4.0
107.08611	2.9
109.02863	3.3
111.02898	2.4
111.98476	48.1
113.00870	14.3
113.01546	2.3
113.96418	3.1
114.04053	4.0
114.94792	3.6
115.02479	10.9
115.03101	2.4
115.03929	12.1
117.04007	7.7
119.01935	22.8
119.05002	4.6
122.03982	2.0
127.02416	4.5
127.03883	3.9
129.99561	11.6
130.66327	2.3
131.01920	22.4
131.03503	2.6
131.04504	3.7
131.96158	3.8
132.02019	3.5
132.05103	6.6
132.95839	100.0
133.03455	11.2
133.04977	3.5
133.10124	3.3
135.05002	7.0
137.00841	2.8
137.05995	3.6
138.03413	2.3
140.05016	19.6
140.55034	3.4
143.00208	2.1
143.01889	13.7
145.03552	9.2
146.03279	1.8
147.01399	2.8
150.96899	66.0
151.07576	2.5
153.03928	2.8
155.01907	23.4
155.97421	68.5
156.05141	2.8
157.03487	6.5
159.03922	2.6
159.05051	23.4
161.02974	10.3
169.03400	3.6
171.05025	29.4
173.02979	14.2
173.06599	7.6
173.98491	73.8
174.03127	3.6
174.06125	29.7
177.06071	7.7
179.10629	3.1
183.05077	2.7
185.03008	4.2
185.06551	2.5
189.06100	16.9
192.04152	2.0
192.07263	3.2
196.91794	3.7
197.00096	2.7
197.03021	4.4
197.04674	3.6
197.06511	3.7
197.10086	2.2
197.11754	5.5
201.06123	9.6
203.04022	10.7
213.06166	3.7
219.07208	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.83334	1.0
55.01867	1.7
55.05512	15.3
56.96567	11.0
57.07058	3.8
59.05003	1.1
59.39766	1.1
66.15425	1.1
66.46412	0.9
67.05503	8.1
69.03415	4.7
69.07071	30.4
69.30050	4.5
69.30475	4.4
71.05002	5.1
73.11378	0.9
78.91016	0.9
79.05500	9.5
81.07059	33.7
83.08620	14.8
85.06533	3.6
87.84238	1.1
89.03902	3.6
91.05457	4.5
93.07047	19.1
95.08610	49.4
97.10177	8.3
97.99180	2.4
98.20786	1.7
99.08096	32.7
105.07005	3.5
107.04959	6.4
107.05558	1.0
107.08596	37.5
109.10165	10.5
111.08096	11.1
111.11713	1.9
113.09624	5.8
113.47549	1.1
117.03400	7.5
119.08540	1.4
121.10150	57.5
123.03815	1.6
123.11721	2.2
125.09633	17.6
127.11206	1.1
134.03595	1.7
135.04440	1.2
135.08035	2.6
135.11696	13.6
137.13272	17.8
139.11157	3.1
142.06406	3.4
143.62987	1.1
145.02827	14.3
149.05975	4.7
149.13242	4.4
151.06984	4.8
153.57268	1.7
162.57741	2.9
163.03891	3.6
163.07672	1.7
163.14784	1.4
167.07022	2.2
171.58340	2.5
174.08438	1.2
177.05490	18.4
177.16394	100.0
178.16974	1.0
195.10103	2.0
195.15846	1.1
195.17442	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	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.11042	0.9
51.75175	1.0
53.03933	2.9
55.01858	4.5
55.05266	1.3
55.05510	17.2
56.96545	2.1
57.03428	1.6
57.07085	5.3
59.04987	2.1
65.03926	1.4
67.05509	13.7
68.96314	1.2
69.03429	5.7
69.07067	39.7
71.04987	6.6
71.08623	2.4
74.81469	1.1
79.01318	1.0
79.05490	20.9
81.03406	4.7
81.07056	43.2
83.04980	5.0
83.08612	14.7
85.06522	5.5
85.10168	1.3
89.03920	9.4
89.06025	1.8
91.05482	12.1
93.06492	1.8
93.07043	30.1
95.04954	3.0
95.08607	57.0
97.06516	3.0
97.10165	9.4
99.08093	35.9
103.05445	4.2
105.07030	7.3
106.04166	2.0
107.04962	18.2
107.08593	50.2
109.02849	2.0
109.06557	1.8
109.10152	14.1
109.98951	1.7
111.04403	1.3
111.08081	9.8
111.11692	3.8
113.09620	4.1
117.03379	23.4
117.06983	1.4
119.08569	1.9
121.06498	6.1
121.10144	70.0
123.04447	1.3
123.11706	5.4
125.05975	2.6
125.08767	1.8
125.09619	20.9
130.96252	2.6
131.04921	1.7
131.08554	1.6
133.10110	3.1
134.03633	4.0
135.04417	9.4
135.08067	3.9
135.11690	22.8
137.13255	20.4
137.91481	1.2
139.11172	3.8
145.02846	45.0
148.97357	2.8
149.05981	16.1
149.09608	2.0
149.13269	7.7
151.11229	1.2
152.06230	2.3
153.05437	1.4
153.97903	2.2
158.90031	1.1
159.11655	3.0
163.03917	15.3
163.07487	4.1
167.07033	5.1
167.08521	2.3
171.98915	2.1
177.05466	65.4
177.12692	3.0
177.16386	100.0
195.02925	3.0
195.06459	5.4
195.08099	8.4
195.10167	4.7
195.11751	1.4
195.13797	3.4
195.15791	3.3
195.17438	38.1
214.29839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03948	1.9
55.01868	3.5
55.05510	13.5
56.96564	1.9
57.07069	4.3
67.05505	8.1
68.96344	1.0
69.03432	7.2
69.07069	34.4
69.47458	7.6
71.05003	5.9
71.08630	1.0
77.03899	1.0
79.05488	10.3
81.03432	1.2
81.07059	30.6
83.04964	1.7
83.08620	12.4
85.06540	4.6
89.03928	13.2
91.05482	4.5
92.21500	1.0
93.07044	20.6
95.05000	1.3
95.08612	50.3
97.06526	1.1
97.10167	7.7
99.08099	36.7
103.05473	2.1
105.07027	2.8
107.04956	4.5
107.08599	42.2
109.10155	13.3
111.08099	13.9
111.11722	2.5
113.09642	5.4
117.03394	29.6
119.08591	1.6
121.06543	2.7
121.10147	59.7
123.11729	4.8
125.05994	3.3
125.09629	21.2
125.13255	1.7
133.10219	1.1
134.03632	3.2
135.04446	5.9
135.08018	1.4
135.11710	14.0
137.13264	18.1
139.11182	2.4
145.02852	53.2
149.06001	15.6
149.08289	1.2
149.09592	1.1
149.13266	6.7
162.03076	1.4
163.03902	9.1
167.07072	1.3
171.99022	1.4
175.14799	1.1
177.05476	76.9
177.16394	100.0
193.82082	1.0
195.06506	2.1
195.08380	2.3
195.10231	2.0
195.15923	1.3
195.17476	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03953	6.1
55.01868	3.6
55.05508	18.7
56.96563	7.4
57.03434	8.7
57.07066	3.1
62.55494	1.0
63.61971	1.1
63.73231	1.3
65.03940	2.4
67.05505	71.2
69.03422	3.0
69.07067	21.0
69.80730	3.4
69.81128	3.1
70.98124	7.0
71.01346	2.1
71.04990	5.2
71.95257	5.7
73.02903	1.5
79.05493	48.2
81.03419	25.6
81.07055	100.0
82.47099	1.3
83.04977	19.5
83.08615	11.6
84.08121	1.2
85.06582	6.5
85.07012	1.3
89.03922	2.1
89.06027	5.8
91.05481	35.6
93.07043	69.1
95.04965	11.6
95.08607	33.5
97.06526	17.9
97.10166	2.1
98.20786	1.4
99.08112	2.5
103.05521	1.9
105.07043	11.8
107.05005	6.2
107.08595	31.7
107.42918	1.3
109.06519	5.5
109.10104	6.5
111.08079	5.6
113.09635	1.3
117.03371	2.9
117.07011	16.0
119.08597	3.9
121.06512	9.9
121.10145	16.9
122.04901	1.2
130.96274	1.9
131.00156	2.2
131.08563	17.3
133.02808	1.5
133.08617	1.6
133.10106	17.9
135.04414	8.0
135.08037	5.3
135.11688	30.3
142.06433	2.7
145.02826	7.7
148.97316	2.1
149.01262	2.5
149.05989	3.8
149.09561	3.0
149.13275	24.8
151.07011	2.8
151.11148	3.3
152.05933	4.3
159.11697	19.9
160.07465	1.8
162.57832	1.5
163.03922	31.6
163.56744	1.1
171.98997	1.5
172.80928	1.3
177.05481	9.3
177.12740	13.9
195.02951	3.5
195.06548	2.9
195.08270	1.8
195.10046	1.6
195.11703	4.7
195.13808	31.0
195.15717	5.1
195.17467	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
52.79790	2.7
53.03945	5.4
55.01867	4.4
55.05517	21.0
57.03430	15.8
57.07070	3.0
67.05508	26.9
69.03420	6.8
69.07075	40.0
69.46828	23.6
71.05004	24.2
71.95267	6.0
77.99871	2.9
79.05498	60.4
81.03387	5.7
81.07059	57.0
83.04993	5.6
83.08620	5.9
85.06553	7.7
89.03901	6.3
89.06058	5.1
91.05486	40.7
93.07044	93.1
95.04992	17.3
95.08602	26.2
97.06517	5.2
103.05498	4.3
105.07040	30.1
107.04967	16.0
107.08601	55.7
109.06517	14.0
109.10204	3.6
115.05476	4.9
117.03352	16.4
117.07039	19.4
119.08612	17.0
121.06498	18.4
121.10122	19.7
123.08078	25.8
130.07779	7.2
131.08586	29.3
133.02861	7.9
133.06525	14.3
133.10124	7.2
135.04422	14.7
135.08089	6.9
135.11685	16.2
137.09593	3.3
144.09401	5.6
145.02844	27.2
149.05998	11.6
149.09691	3.8
149.13205	17.0
159.11688	21.2
163.03908	100.0
165.07019	3.3
177.05478	41.6
177.12729	20.6
177.16306	3.2
195.06433	4.7
195.08189	3.3
195.10172	3.5
195.11807	5.0
195.13820	10.7
195.15706	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.43455	0.7
51.78600	0.8
53.03947	4.0
55.01864	3.5
55.05267	1.4
55.05512	14.5
56.96558	1.2
57.03442	6.8
57.07062	2.4
65.03934	2.5
67.05509	65.7
69.03429	1.6
69.07072	20.5
70.63578	1.5
70.63952	1.6
71.01337	1.5
71.04996	5.2
71.08612	1.1
73.02907	1.8
73.38262	0.8
77.03931	1.2
79.05499	41.4
81.03423	4.2
81.07062	100.0
83.04992	13.3
83.08630	14.4
85.06545	4.1
87.04453	1.0
91.05487	24.2
93.07050	64.1
95.04969	5.4
95.08614	33.7
95.09085	0.5
97.06537	14.8
97.10179	2.0
99.04442	1.2
99.08096	3.1
103.05470	1.0
105.07037	8.5
107.04932	2.9
107.08601	29.6
109.06516	3.3
109.10148	3.0
111.08092	8.5
113.06033	1.2
113.09678	2.4
117.03409	1.6
117.07031	8.3
119.08555	2.9
121.06531	5.6
121.10154	12.4
123.01465	0.8
123.08054	1.1
123.11727	1.1
131.08578	12.3
133.02861	1.2
133.10141	12.7
135.04395	2.0
135.08054	3.2
135.11702	25.8
136.58011	1.2
139.11177	1.3
145.02844	2.7
149.05966	2.0
149.09711	1.3
149.13272	26.6
151.11169	2.0
159.11690	18.1
161.16766	0.9
163.03906	12.4
177.05533	5.6
177.12773	12.1
180.09308	0.9
195.03078	1.0
195.06497	1.2
195.08325	1.1
195.10069	1.1
195.13812	15.9
195.15630	0.7
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
53.03938	7.9
54.60139	1.8
55.01865	3.7
55.05513	16.7
56.96565	3.6
57.03443	9.1
57.07062	5.7
59.01085	1.7
60.01129	2.0
65.03929	3.0
67.05504	61.3
69.03424	2.8
69.07071	25.0
69.41229	11.0
69.41634	3.7
70.06593	1.9
70.94256	2.0
71.01347	3.6
71.04989	6.8
71.95254	6.6
74.47129	2.2
79.05068	3.5
79.05494	47.8
81.03412	7.9
81.07057	100.0
83.04969	14.3
83.08617	12.3
84.08138	4.6
85.06557	6.5
89.03911	5.2
89.06030	3.9
91.05473	27.0
93.07047	69.8
95.04981	6.9
95.08604	34.1
97.06544	15.8
99.04424	2.0
99.08086	3.4
103.05434	2.8
105.04498	4.5
105.07039	11.3
107.04955	11.7
107.08594	34.3
109.06528	5.5
109.10149	7.3
111.08070	9.2
112.99073	2.0
117.03371	14.6
117.07031	12.6
121.06506	7.3
121.10130	17.6
123.11795	2.0
127.57524	3.0
130.96355	4.8
131.00145	2.6
131.04924	2.5
131.08569	14.9
133.02827	5.5
133.08682	2.0
133.10095	11.2
135.04425	15.1
135.08067	5.6
135.11676	23.5
136.58054	10.7
142.58008	3.7
145.02831	20.2
145.58495	2.4
148.97366	6.7
149.01231	3.0
149.05986	9.1
149.09709	2.7
149.13266	30.3
151.11171	2.4
151.58557	11.6
153.97882	6.4
159.11700	17.3
160.59109	5.6
163.03902	83.4
163.09453	2.9
165.07062	2.4
167.07112	2.9
167.08449	2.8
171.98961	5.5
172.10080	2.3
177.05461	30.0
177.12798	12.3
177.16371	4.6
195.02896	7.5
195.06499	6.0
195.08218	5.8
195.10114	4.4
195.12071	2.3
195.13840	21.7
195.15715	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	195.0654
Annotation	cis-ferulic acid
Peak:m/z	Relative Intensity
51.02364	1.1
53.03749	0.8
53.03949	7.9
55.01864	3.1
55.05516	1.2
56.96550	1.7
65.03974	1.4
67.05495	4.0
68.31372	1.0
68.96332	1.8
69.03419	2.7
69.48884	1.7
69.49284	5.3
71.01340	1.6
77.03934	2.3
79.05067	1.6
79.05495	19.4
81.03433	7.1
81.07058	10.2
83.01332	1.0
83.04993	1.3
84.08135	1.3
89.06017	6.3
91.05488	25.9
93.03392	1.7
93.07050	36.4
93.39648	1.0
95.04987	7.4
95.08588	2.9
97.06536	1.3
98.97588	3.7
103.05472	23.3
105.04526	3.8
105.07037	12.1
107.04956	9.4
107.08572	2.5
109.02882	6.1
109.06524	3.1
109.98975	2.0
111.04446	1.3
116.98615	1.3
117.03383	2.5
119.04955	3.2
121.06511	77.1
121.10110	0.9
123.08076	1.3
125.06010	2.8
129.28577	0.9
130.95465	0.9
130.96286	5.5
131.04948	9.3
133.06496	1.9
133.08646	1.0
135.04437	13.6
135.08063	1.5
137.05998	4.0
139.07472	1.2
141.32202	0.9
141.88858	1.1
145.02876	5.1
147.04405	2.8
148.97372	4.4
149.05991	100.0
153.05476	4.7
153.09019	1.0
153.97884	4.1
157.82013	1.0
159.04446	5.7
163.03888	4.7
167.07060	17.7
170.31169	0.8
171.98959	3.0
177.05484	75.2
195.02908	1.8
195.06532	36.5
195.10289	1.7
195.15729	1.4
212.41113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03954	0.5
55.01879	0.9
55.05521	2.3
57.92454	0.4
63.02384	0.6
65.03964	0.4
67.05516	1.0
69.03429	1.0
69.07058	4.2
70.77586	0.4
70.99668	0.9
71.05005	1.2
78.04723	0.5
79.05486	2.6
81.03440	0.8
81.07061	3.3
83.05059	0.6
83.08628	1.5
85.06542	0.6
89.03918	16.2
91.05486	2.5
93.07040	2.6
94.21661	0.5
95.04980	1.3
95.08617	6.3
97.10180	0.7
99.08094	5.0
103.05471	1.5
105.06991	0.4
106.04187	1.9
107.04913	2.6
107.08604	4.7
109.10175	1.8
109.98927	0.5
111.08051	1.1
113.09667	0.5
117.03383	37.3
119.05004	0.5
121.06516	1.1
121.10162	7.1
125.05997	1.0
125.09652	2.7
130.96323	0.5
134.03615	5.7
135.04408	4.4
135.11707	1.8
137.13263	2.1
143.37009	0.6
145.02850	71.6
147.04527	0.5
149.05988	17.0
149.09560	0.5
149.13319	1.4
153.05434	0.6
153.97903	0.7
162.03152	1.8
163.03909	8.3
167.07031	1.0
177.05473	100.0
177.16396	10.5
179.03433	0.5
186.05513	1.3
195.02834	0.6
195.06525	2.2
195.10089	0.9
195.13748	0.7
195.17438	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03947	0.9
55.05515	0.8
56.96563	2.3
61.02942	0.7
63.02373	0.6
67.05509	1.6
68.96335	0.6
69.03437	1.2
69.07066	0.7
71.01337	0.8
71.45111	1.1
73.02915	0.7
79.05491	5.7
81.03403	1.2
81.07054	1.2
83.01355	0.9
83.04993	0.5
89.03918	14.7
91.05483	3.6
93.07038	3.7
95.04965	1.7
95.08606	0.9
97.02888	0.6
98.97598	4.4
103.05470	2.0
105.03381	0.8
105.07032	0.6
106.04182	1.3
107.04971	3.7
107.08608	1.7
109.02895	0.8
109.06511	1.1
109.98924	1.0
110.97558	0.6
111.08064	0.6
115.22967	0.6
116.98622	1.4
117.03384	37.7
121.06509	2.8
121.10118	1.0
121.94160	0.5
125.06002	0.7
128.98615	0.8
130.54265	0.6
130.96315	1.4
131.04959	0.8
134.03635	5.2
135.04404	5.7
135.11652	1.0
139.07530	1.2
145.02847	70.2
147.04346	0.8
148.97353	0.6
149.05991	17.7
149.09607	0.7
153.05463	1.7
153.97879	1.3
158.99661	1.5
159.04512	0.6
162.03130	1.7
163.03923	8.0
171.98958	1.4
177.05470	100.0
186.05629	0.7
186.07268	2.2
186.57368	0.6
195.02927	0.8
195.06346	3.7
195.07983	1.7
195.10091	0.8
195.13846	1.4
195.15651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	Ferulate
Peak:m/z	Relative Intensity
51.02377	1.1
52.76258	0.6
53.03949	7.2
55.01856	3.1
70.78845	1.8
73.49381	0.8
77.03932	2.6
79.05495	9.1
81.03420	2.7
81.07059	9.7
84.08145	1.4
89.06034	3.1
91.05482	24.7
93.03416	0.7
93.07049	29.7
95.04955	7.1
96.58391	0.7
97.06528	0.7
103.05473	16.3
105.04521	2.8
105.07020	8.2
107.04949	4.3
109.02899	1.6
109.06508	1.1
111.42767	0.9
119.04914	1.2
121.06507	81.5
123.08116	1.3
130.96268	1.2
131.04933	5.6
133.06514	1.0
133.08582	1.4
134.03625	0.9
135.04422	13.0
149.05988	100.0
153.05472	0.8
153.97871	0.9
159.04428	3.9
162.55072	0.8
163.03963	2.2
167.07060	13.1
177.05476	70.2
195.06528	13.3
195.08252	0.9
198.99280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.20156	1.2
53.03946	3.5
55.01868	3.0
55.05511	18.1
56.96554	2.0
57.03439	2.7
57.07078	8.0
58.16203	1.3
59.04998	2.3
65.03942	5.2
67.05174	2.7
67.05507	35.0
69.03432	15.3
69.07070	24.1
69.39999	8.7
69.40410	3.5
71.04989	4.5
77.03938	1.8
79.05492	16.3
81.03414	13.0
81.07063	31.5
83.04984	21.9
83.08623	14.3
85.02911	1.7
85.06098	1.5
85.06543	10.0
91.05482	42.6
93.07047	30.4
95.04977	21.7
95.08611	60.8
97.06526	5.0
97.10183	2.6
98.97533	1.9
99.08097	22.7
103.05466	7.1
105.03419	3.2
105.04508	2.0
105.07032	51.8
107.04958	5.0
107.08595	49.2
109.02876	2.9
109.06517	19.5
109.10159	77.8
111.04449	5.2
111.08089	10.6
115.05458	6.0
117.07024	2.7
118.04144	2.5
119.04948	19.4
119.05852	1.5
119.08582	75.5
121.06592	2.4
121.10149	36.6
123.04423	1.7
123.08075	33.5
123.11703	12.8
125.09618	1.8
129.05505	4.4
129.06999	1.6
131.08563	3.1
133.02838	8.5
133.06494	22.6
133.10129	70.3
135.04427	3.3
135.11694	100.0
137.06029	2.8
137.09616	35.6
137.13310	1.6
138.10397	3.9
139.03899	1.9
145.10097	2.0
147.04405	16.4
147.06429	2.2
147.11664	13.4
149.02393	2.6
149.12161	2.5
149.13252	17.8
151.11162	9.8
151.14827	7.8
157.10144	1.8
160.12497	1.7
161.02345	5.0
161.05988	27.1
165.05501	5.1
165.12759	2.3
165.16412	3.1
173.13303	1.9
175.03917	8.5
175.11316	3.8
175.14838	77.3
178.02629	3.2
180.98030	1.4
193.04984	26.9
193.08626	10.6
193.12263	5.5
193.15923	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03935	1.9
55.05507	6.9
57.03440	0.7
57.07077	3.8
59.04981	1.6
65.03937	2.3
67.05507	13.4
69.03413	0.8
69.07076	8.5
70.94607	1.2
79.05497	5.4
81.03420	8.9
81.07053	10.1
83.04963	2.2
83.08614	4.3
85.06537	1.8
87.98485	0.7
91.05481	16.9
93.07048	11.4
95.04971	5.8
95.08611	26.4
99.08089	7.0
103.05430	1.5
105.04482	1.0
105.07039	14.6
107.04920	1.6
107.08591	10.4
109.06506	2.5
109.10157	24.6
111.08063	0.8
114.75374	0.7
117.07057	1.8
117.61684	0.8
119.04933	4.7
119.08586	53.0
120.09461	0.8
121.10130	6.1
122.79539	0.7
123.04439	0.8
123.08054	2.7
123.11717	2.5
131.08551	2.4
133.02861	1.3
133.06485	2.8
133.10132	68.2
135.04433	1.8
135.11694	17.3
137.06007	1.5
137.09605	8.3
145.10124	5.4
147.04440	5.3
147.08035	0.9
147.11693	14.9
149.02371	4.7
149.03345	0.8
149.09624	1.0
149.13278	5.3
151.11272	1.2
151.14839	6.2
160.12489	3.0
161.02341	1.1
161.05959	2.1
165.05457	1.4
173.13214	1.9
175.03929	2.6
175.11255	2.6
175.14833	100.0
176.15263	0.9
178.02635	1.5
193.04982	10.8
193.08525	0.9
193.12251	2.4
193.15900	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03933	1.4
55.05511	11.0
57.03423	1.2
57.07064	3.6
59.04990	3.6
62.30772	0.9
65.03924	0.9
67.03907	0.8
67.05509	23.9
69.03433	1.6
69.07074	6.5
69.57329	0.8
70.93743	0.9
70.94093	1.7
71.04986	2.0
79.05491	10.9
81.03422	8.9
81.07059	13.4
83.04981	5.2
83.08617	5.3
85.06548	18.2
91.05486	13.2
93.07050	18.6
95.04967	7.7
95.08609	18.4
97.02884	1.0
97.06517	1.2
97.10158	1.8
99.08099	100.0
105.07026	10.3
107.04955	0.9
107.07880	1.3
107.08601	21.5
109.06530	4.8
109.10162	45.5
111.08086	2.3
119.04935	2.9
119.07812	1.3
119.08591	16.0
121.10159	8.5
123.04462	0.8
123.08081	8.7
123.11702	5.7
125.09628	1.3
131.08565	1.5
133.06479	1.9
133.10135	21.7
135.10707	1.7
135.11700	30.4
137.09621	18.6
138.10379	1.8
147.04417	2.8
147.11705	2.4
149.13248	3.1
151.11192	5.0
151.14827	1.4
161.05994	1.3
165.16370	2.1
175.03946	2.2
175.14830	15.5
193.04979	3.5
193.08539	1.4
193.12216	1.8
193.15891	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03935	6.6
53.38929	1.4
55.01877	3.7
55.05282	1.5
55.05518	22.4
56.10485	1.5
57.03419	4.9
57.07063	7.0
59.04981	3.9
59.84617	1.6
65.03944	3.3
67.05510	42.2
69.03152	1.4
69.03437	17.6
69.07072	22.8
69.42088	12.6
71.04987	6.9
74.48741	2.0
79.05498	30.3
81.03424	100.0
81.06584	2.9
81.07053	36.8
83.04991	19.9
83.08629	27.3
85.06548	9.4
91.05489	38.4
93.07051	30.2
95.04374	3.4
95.04973	52.0
95.08613	56.6
97.06533	5.7
97.10154	3.4
98.20747	2.6
98.97603	9.1
99.08108	35.5
103.05421	4.4
105.03398	2.5
105.07040	44.7
107.04946	9.2
107.08598	42.9
109.06522	16.8
109.07689	1.9
109.10164	71.8
111.04445	6.8
111.08073	10.3
115.05458	4.5
117.07030	3.8
118.04147	3.1
119.04964	7.8
119.08588	58.3
121.02964	1.8
121.06557	3.5
121.10154	40.0
121.18018	1.7
123.04426	2.5
123.08079	31.7
123.11698	11.8
125.09629	2.1
129.05424	4.4
129.07013	7.4
131.08565	8.4
133.02863	5.2
133.06522	17.9
133.10139	58.0
135.04399	3.0
135.11700	83.8
136.12021	1.7
137.08673	2.9
137.09624	34.1
138.10455	3.5
139.03917	2.1
145.10211	2.1
147.04434	7.7
147.08038	2.6
147.11720	12.2
149.09604	5.2
149.13289	18.6
151.09987	1.5
151.11182	8.2
151.14772	6.4
157.10104	6.3
158.99673	6.2
161.02351	2.7
161.05972	19.8
165.05452	3.3
165.12769	5.4
165.16422	3.0
170.07028	3.0
175.03896	7.0
175.11197	8.2
175.14830	64.5
177.00752	3.2
178.02594	2.2
181.57843	2.2
185.13567	1.6
193.04970	18.8
193.06622	2.8
193.08618	7.4
193.12280	17.5
193.15891	96.6
209.47318	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.72609	1.3
55.05503	8.4
57.07069	1.4
59.04990	1.5
67.05508	8.7
69.07067	30.1
69.18899	12.5
71.04994	16.5
79.05481	6.6
81.03391	1.4
81.07055	20.6
81.07483	2.4
83.08602	2.5
85.06548	12.0
88.02325	1.4
91.05481	7.1
93.06499	1.8
93.07048	27.0
95.04969	34.4
95.08616	22.5
97.06514	4.1
97.10165	12.3
99.08083	4.5
105.07037	9.3
107.05003	1.6
107.08601	28.5
109.06520	100.0
109.10159	16.8
111.08078	6.4
111.11700	3.8
117.93690	1.3
119.04916	2.3
119.08588	26.2
121.04909	1.2
121.10143	9.8
123.08063	7.6
123.11713	20.9
125.27172	1.4
133.10143	23.1
135.10707	2.3
135.11691	33.7
135.12717	1.7
137.09619	15.3
139.16333	1.2
147.04430	1.6
147.11664	3.9
149.13289	10.8
151.11188	4.4
175.14824	44.8
193.04976	5.2
193.15878	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
52.62331	1.2
53.03929	2.7
55.05512	15.9
56.43503	1.6
57.07065	6.2
60.46660	1.2
65.58511	1.3
67.05504	28.1
67.17844	1.3
69.03440	7.1
69.06803	1.4
69.07076	14.4
69.47835	10.2
71.04989	2.5
79.05486	8.9
81.03422	35.2
81.07055	22.2
83.04988	11.3
83.08617	12.3
85.06538	2.7
91.05481	18.7
93.07037	22.4
95.04961	15.0
95.08606	43.7
97.06509	2.3
97.10115	2.2
98.20779	3.0
99.08087	2.9
105.07030	23.4
107.04948	2.7
107.08590	31.1
109.06515	11.5
109.10164	57.1
111.08117	6.8
115.05465	2.6
117.07011	4.1
119.08584	76.3
121.06471	2.0
121.10149	19.8
123.08068	17.6
123.11699	7.0
125.09628	1.8
129.06976	3.7
131.08585	3.2
133.02921	1.8
133.06465	4.0
133.10130	74.7
135.04376	1.7
135.11694	74.6
137.09618	20.8
145.10141	3.6
147.11693	17.0
149.09654	2.0
149.13277	13.8
151.11188	5.4
151.14816	11.6
157.10155	1.9
159.11722	1.5
160.12450	1.9
161.05986	1.5
175.03835	1.6
175.14827	100.0
191.55476	1.5
193.04945	3.3
193.12175	3.3
193.15884	56.7
206.52296	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01863	3.0
55.05275	1.6
55.05512	17.4
56.96553	2.2
57.03426	3.2
57.07076	4.6
58.42981	1.5
59.04997	3.6
65.03929	3.2
67.05502	29.5
69.03445	13.1
69.07072	19.3
71.04979	4.8
71.06918	4.1
71.08617	1.7
74.93221	1.6
79.05489	21.5
81.03418	33.2
81.06596	2.2
81.07057	37.1
83.04980	19.3
83.08619	13.9
85.06541	8.8
91.04913	2.2
91.05480	41.3
93.07048	28.2
94.83485	1.6
95.04971	25.7
95.08606	58.2
97.02813	1.8
97.06519	3.4
99.08101	21.9
103.05463	6.0
105.07033	46.5
107.04936	6.5
107.08596	48.1
109.02938	1.8
109.06521	19.9
109.10159	77.1
110.07162	1.8
110.97552	3.3
111.04450	2.1
111.08090	10.6
115.05457	3.2
117.07013	2.8
117.12210	1.5
118.04143	2.1
119.04932	14.9
119.08582	66.0
121.06482	1.9
121.10149	31.7
123.04442	3.6
123.08080	25.5
123.11697	12.4
125.09647	2.4
131.08604	5.4
133.02866	6.7
133.06497	15.6
133.10133	61.1
135.04431	7.1
135.11694	100.0
137.05960	3.8
137.09596	30.4
138.10443	3.4
145.10213	2.1
147.04395	16.0
147.08130	3.4
147.11732	10.9
149.02390	3.3
149.09573	2.6
149.13272	19.8
151.11148	9.8
151.14859	8.3
157.10094	2.3
161.02376	4.9
161.05984	18.6
165.05443	3.6
165.16393	2.8
175.03902	8.0
175.11224	3.6
175.14816	54.0
178.02640	5.3
190.79858	1.8
193.04987	25.0
193.08614	6.8
193.12199	8.4
193.15897	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03947	1.4
55.05517	6.1
56.96558	1.0
57.07082	3.4
59.04996	1.0
65.03944	0.9
67.05510	11.0
69.06735	0.9
69.07074	8.1
69.99436	2.9
79.05502	5.4
81.03423	14.9
81.07062	9.3
83.04971	1.9
83.08625	4.3
85.06541	1.9
91.05487	11.1
93.07050	9.7
95.04985	7.4
95.08610	24.8
97.67673	0.6
99.08080	3.0
103.05477	0.9
105.06325	0.8
105.07035	16.0
107.04966	1.6
107.08590	9.1
109.06523	2.0
109.10161	26.8
117.07015	1.7
119.04944	0.9
119.08587	57.9
121.06494	0.8
121.10168	5.5
123.08050	3.0
123.11723	1.4
129.06967	0.9
131.08568	2.9
132.31523	0.7
133.06490	1.7
133.10138	67.9
134.10898	0.9
135.04448	0.8
135.11697	15.9
137.09616	8.8
145.10135	4.2
147.04417	1.5
147.11688	18.8
149.13257	6.1
151.11156	1.1
151.14853	6.2
157.10115	1.8
160.12462	3.5
161.05937	1.3
173.13228	1.4
175.03853	0.8
175.14832	100.0
178.02571	1.0
193.04971	3.5
193.12250	3.1
193.15883	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02394	0.4
51.50386	0.4
52.14243	0.4
53.03948	1.1
54.41930	0.5
55.01858	0.7
55.05515	9.6
56.05864	0.4
56.96572	0.5
57.03445	0.6
57.07084	2.9
59.05005	2.9
65.03953	1.3
66.53922	0.4
67.05507	17.7
69.03422	1.4
69.07072	4.3
69.37289	3.3
71.04987	1.1
71.08642	0.5
79.05497	9.0
81.03422	10.4
81.07059	12.4
83.04984	2.5
83.08623	4.2
85.06545	17.5
85.10177	0.9
91.05479	8.6
93.07045	14.2
95.04973	7.9
95.08611	13.2
97.06562	0.8
97.10154	0.9
98.20792	0.8
98.97567	0.6
99.08096	100.0
103.05457	0.6
105.07042	6.9
107.04949	1.9
107.08600	15.6
109.06541	4.8
109.10159	38.5
111.04503	0.6
111.08096	1.5
119.04932	2.6
119.08582	8.7
121.06508	1.6
121.10149	5.0
123.08076	5.4
123.11712	4.3
125.09637	0.8
125.13255	0.7
129.07034	0.9
131.08591	0.7
133.02872	1.0
133.06473	1.7
133.10133	13.8
135.04358	0.6
135.11699	22.5
137.06012	0.6
137.09618	12.4
138.10397	2.1
139.11166	0.4
147.04431	2.7
147.08008	0.5
147.11681	2.1
149.02399	0.9
149.09604	1.0
149.13284	0.6
151.11191	4.6
151.14825	0.7
157.10158	0.7
158.02324	0.7
158.99661	0.6
161.02310	1.1
161.05983	0.9
163.03885	0.6
165.05487	0.9
165.16362	1.5
175.03917	1.6
175.11278	0.6
175.14819	7.2
177.00742	0.5
178.02611	0.6
193.05006	4.9
193.08630	1.2
193.12271	2.2
193.15887	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03945	3.4
53.48426	0.2
55.01875	2.7
55.05511	6.3
57.03438	2.3
61.08298	0.3
63.51609	0.3
65.03941	1.9
67.05507	21.9
68.49066	0.2
69.03082	0.4
69.03434	2.4
69.07076	2.2
69.41103	1.7
71.01344	0.3
71.04996	1.5
77.03944	0.3
79.05495	15.7
81.03420	100.0
81.07055	11.7
83.04983	4.6
83.08624	13.8
85.02917	0.4
85.06577	0.6
91.05484	17.2
93.07043	7.6
94.04211	0.3
95.04971	38.0
95.08614	2.7
97.02906	1.9
97.06527	1.1
97.10161	1.2
98.20730	0.4
99.08088	1.1
103.05468	0.6
105.04539	0.5
105.07036	10.7
107.04962	9.0
107.08601	2.9
109.06519	2.7
109.10166	1.1
111.04443	1.4
111.08090	3.3
115.05463	1.8
116.06290	0.3
117.07017	1.4
119.04949	1.1
119.08582	9.2
121.06506	2.3
121.10145	3.4
123.04387	0.3
123.08070	0.8
125.09639	0.3
128.06232	0.7
129.07013	8.1
131.08571	5.7
133.02849	0.5
133.06499	4.3
133.10124	4.3
135.04457	0.3
135.11717	0.9
137.05959	0.4
137.09647	1.6
141.07059	0.3
142.07787	2.3
145.10094	0.6
147.04402	1.2
147.08029	3.0
147.11684	5.3
149.09618	4.2
151.11131	0.4
157.10132	5.9
161.02338	0.5
161.05969	1.3
165.12743	1.1
175.03923	0.7
175.11203	5.1
175.14742	0.5
193.04962	1.7
193.08617	1.0
193.12250	11.1
193.15906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
50.65416	0.6
53.03946	4.2
55.01871	3.4
55.05509	13.3
56.96555	0.9
57.03434	4.9
57.07071	1.9
59.05003	1.3
63.60768	0.6
65.03938	2.5
67.05506	31.8
69.03429	4.6
69.07071	5.3
69.90208	1.7
69.90601	1.2
71.01348	0.8
71.04993	3.5
77.03920	1.0
79.05491	25.9
81.03419	100.0
81.07058	20.0
83.04974	7.0
83.08620	15.0
83.97672	0.7
85.06550	3.9
91.05482	35.0
93.07043	16.0
95.04967	45.5
95.08604	12.1
97.02893	2.7
97.06543	2.3
97.10146	1.7
99.08097	17.1
103.05447	3.1
103.48352	0.6
105.07033	33.3
107.04956	10.9
107.08593	12.4
109.02843	0.9
109.06516	7.9
109.10160	12.6
111.04451	1.9
111.08076	7.3
115.05462	4.6
117.07047	1.5
118.04152	1.9
119.04948	9.7
119.08584	20.8
121.06504	2.0
121.10142	8.7
123.04433	1.5
123.08072	9.9
123.11719	3.1
123.62515	0.7
125.05967	0.8
128.06210	0.9
128.98666	1.0
129.07007	8.7
131.04965	1.1
131.08566	8.3
133.02873	4.0
133.06493	18.6
133.07462	1.2
133.09120	1.1
133.10133	21.3
134.03583	0.8
135.04411	2.8
135.11691	14.3
137.06000	2.7
137.09619	13.4
137.13234	1.1
138.10397	5.1
142.07811	2.5
143.06042	1.5
145.10143	1.6
147.04401	7.9
147.08054	4.2
147.11705	10.9
149.02394	1.1
149.09622	5.2
149.13293	3.4
151.07593	0.7
151.11192	2.9
151.14783	1.3
157.10141	8.1
161.02373	2.6
161.05984	16.8
163.03976	0.9
165.05475	2.4
165.12753	3.9
165.16463	0.7
173.73427	0.6
174.55988	0.6
175.03894	4.2
175.11172	8.1
175.14825	16.1
178.02617	2.9
178.07692	0.6
193.04970	17.5
193.06825	1.0
193.08615	6.2
193.10347	1.2
193.12230	13.7
193.15887	31.2
193.17639	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02388	0.6
53.03948	4.4
55.01877	3.0
55.05512	8.0
56.96554	0.5
57.03441	2.7
57.20745	0.3
65.03940	2.3
67.05506	23.7
69.03438	3.4
69.07076	3.2
70.00446	1.0
70.00861	0.7
71.01349	0.4
71.04989	1.6
74.56385	0.3
76.76278	0.3
77.03928	0.6
79.05496	19.1
81.03421	100.0
81.07057	13.1
83.04987	4.8
83.08623	14.3
85.02872	0.3
85.06554	0.6
91.05485	21.9
93.07044	10.0
93.07631	0.5
95.04972	40.0
95.08614	3.4
97.02889	2.2
97.06556	1.6
97.10152	1.0
99.08090	1.5
103.05478	1.1
105.04520	0.6
105.07035	12.4
107.04961	9.7
107.08600	4.0
109.02894	0.4
109.06534	3.6
109.10162	2.1
110.97448	0.4
111.04424	1.6
111.08093	2.9
115.05458	1.7
116.06230	0.5
117.07018	1.7
119.04937	3.8
119.08584	11.0
121.06489	2.4
121.10152	3.5
123.04453	1.0
123.08066	1.1
123.11707	0.4
125.05968	0.4
126.18887	0.3
128.06221	0.4
129.07013	8.5
131.04974	0.4
131.08572	7.1
132.63647	0.3
133.02864	1.6
133.06491	4.6
133.10129	7.1
135.04430	1.4
135.08006	0.5
135.11687	1.2
137.05994	1.1
137.09616	1.7
139.85054	0.4
141.07031	0.5
142.07802	2.6
145.10081	0.7
147.04410	3.8
147.08060	3.8
147.11691	6.2
149.02383	0.8
149.05904	0.4
149.09618	4.7
151.11299	0.6
157.10135	8.1
161.02357	1.0
161.05959	1.3
165.05464	0.8
165.12721	1.0
175.03937	1.9
175.09778	0.7
175.11198	8.0
175.14815	2.5
178.02615	0.7
189.68857	0.4
193.04991	5.8
193.08553	0.5
193.12245	14.4
193.15935	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02378	1.0
52.26791	0.8
53.03946	6.3
55.01870	5.0
55.05301	0.8
55.05516	7.8
56.96566	4.3
57.03440	7.4
57.07073	2.2
59.05004	3.6
65.03936	7.9
67.05507	22.8
68.99788	1.2
69.03432	9.1
69.07065	5.1
69.78580	3.1
70.32461	0.8
70.98113	0.7
71.01354	1.8
71.04982	3.6
71.08626	0.8
76.75375	0.7
77.03933	2.2
79.05068	1.5
79.05495	24.4
81.03409	4.6
81.07061	38.2
83.01339	0.8
83.04978	13.6
83.08610	2.0
85.02907	4.2
85.06532	2.7
91.05485	100.0
93.03398	1.1
93.07044	18.7
94.04206	0.8
95.01346	1.1
95.04970	28.0
95.08617	11.7
97.02895	2.7
97.06532	3.2
98.97601	2.7
99.08098	5.6
103.05472	7.2
105.03399	4.0
105.04549	1.3
105.07040	43.0
107.04956	5.6
107.07876	1.4
107.08597	23.2
109.02868	3.3
109.06521	58.2
109.10164	13.9
110.07331	1.7
110.97569	1.7
111.04422	3.9
111.08111	2.4
115.05467	5.7
115.60655	0.8
117.07011	2.4
117.63565	0.7
118.04166	3.0
119.04949	61.5
119.08583	35.4
120.83176	0.7
121.02827	1.1
121.06503	8.3
121.10145	8.3
122.03681	1.1
122.07307	0.9
123.04439	8.3
123.08068	12.4
123.11691	6.2
125.02399	0.8
125.06043	1.4
128.98615	1.8
129.05504	2.9
129.06978	1.7
131.04938	2.0
131.08577	1.6
132.05711	0.8
133.02859	17.1
133.03821	1.4
133.06499	26.5
133.10133	20.6
134.03654	1.6
135.04445	8.7
135.08057	14.7
135.11697	24.4
137.05991	15.4
137.09621	15.7
137.13246	1.0
142.07820	1.8
143.06082	1.9
143.08940	0.8
145.06461	4.0
145.10133	1.4
146.07286	2.6
146.99654	1.5
147.04417	56.6
147.08023	6.3
147.11688	21.6
149.02365	1.7
149.06017	3.9
149.09621	2.2
149.13260	2.2
150.03133	3.5
151.03889	1.3
151.07550	1.3
151.11188	22.0
151.14856	1.9
157.10155	3.0
158.99796	0.8
160.08839	11.2
161.02361	10.9
161.04628	1.5
161.05988	30.4
163.03958	2.2
165.05475	10.7
165.07454	2.7
165.09052	1.4
165.12779	4.3
165.42581	0.9
169.98975	0.8
175.03908	27.3
175.11191	48.9
175.14825	9.0
178.02618	13.7
179.03461	1.9
193.05006	69.0
193.06891	10.4
193.08633	7.9
193.12248	55.4
193.13974	2.4
193.15881	21.4
203.49010	0.8
211.50804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.04605	2.0
53.03958	10.1
55.01884	4.5
55.05511	12.7
56.96566	7.4
57.03440	99.0
57.07076	2.3
59.05001	1.7
65.03941	5.0
67.05500	32.5
69.03423	6.0
69.07063	6.8
71.04984	3.2
71.07381	2.8
72.52872	1.8
75.04469	2.9
79.05499	34.5
81.03426	75.4
81.07059	20.6
83.04988	4.8
83.08600	9.3
85.06544	10.3
91.05489	84.7
93.07047	75.4
95.04973	45.2
95.08606	7.5
97.02896	2.9
97.06544	4.5
99.08093	3.9
103.05464	4.4
105.04510	3.1
105.07036	60.0
107.04960	14.3
107.08596	11.5
109.02875	3.6
109.06534	10.3
109.10168	13.6
110.97588	2.3
111.04472	2.2
111.08083	4.7
113.00241	1.8
115.05465	3.6
116.06215	1.9
117.07047	10.3
119.04948	12.7
119.08588	100.0
121.06506	63.8
121.10166	6.8
123.04466	2.2
123.08076	3.7
129.06989	9.0
131.04964	2.6
131.07730	1.9
131.08586	10.5
133.02856	6.8
133.06519	19.8
133.10130	46.5
135.04410	6.4
135.08069	7.8
135.11678	6.3
137.05997	2.5
137.09634	25.2
142.07764	7.5
145.06470	3.7
145.10115	2.8
146.07292	13.3
147.04427	15.2
147.08057	37.2
147.11688	45.2
149.09587	4.9
149.13225	2.5
150.06145	2.8
151.11115	2.6
157.10101	15.1
160.08875	7.8
161.02379	4.1
161.06010	8.1
165.05354	2.5
165.12773	3.1
175.03891	7.5
175.11191	67.5
175.14795	15.5
175.61958	1.7
178.02606	2.4
193.04955	29.8
193.08536	4.0
193.10307	2.8
193.12242	29.4
193.15901	5.2
200.67297	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.03121	1.3
53.03951	7.9
55.01878	5.6
55.05509	15.1
56.96553	2.4
57.03423	4.5
57.07073	1.0
59.04974	2.0
65.03931	4.2
67.05505	46.0
68.64729	1.1
68.92570	1.1
69.03413	3.6
69.07072	9.0
70.01260	3.7
71.04994	8.0
77.03893	2.1
79.05495	49.8
81.03420	100.0
81.07061	34.7
83.04982	10.5
83.08623	15.2
85.02893	2.2
85.06545	7.9
91.05483	84.9
93.07047	44.9
95.04974	51.4
95.08598	12.2
97.02881	3.4
97.06544	8.7
99.04473	1.5
99.07505	1.0
99.08095	25.8
103.05445	7.3
105.03368	1.3
105.04521	2.7
105.07031	62.3
107.04964	12.7
107.08597	14.0
109.02877	2.2
109.06519	11.3
109.10158	14.5
110.97604	1.1
111.04431	3.7
111.08076	4.1
113.06068	2.2
115.05464	7.9
117.07015	1.7
118.04155	2.2
119.04934	10.7
119.08589	34.0
121.02821	1.1
121.06505	4.1
121.10138	9.2
123.04402	1.7
123.08080	4.4
123.11685	2.9
125.06013	1.6
128.98567	1.9
129.07008	18.6
129.34242	1.1
131.04903	2.2
131.08577	25.1
133.02846	8.1
133.06497	25.7
133.10132	90.8
135.04411	4.6
135.08073	2.0
135.11667	9.2
137.05975	3.0
137.09624	7.0
142.07758	4.9
143.06052	2.9
145.05048	2.7
145.10207	1.6
147.04413	12.1
147.08049	7.8
147.11694	32.0
149.02298	2.0
149.09625	25.2
149.13277	1.7
151.11198	3.2
154.05522	1.3
157.10130	28.5
161.01103	1.1
161.02382	3.2
161.05980	28.2
165.05473	4.1
165.12781	3.1
175.03909	7.8
175.11192	38.0
175.14792	10.2
178.02576	3.0
188.03737	1.0
191.94196	1.5
193.03304	2.0
193.04987	24.2
193.06815	2.2
193.08609	11.0
193.10432	2.5
193.12250	46.9
193.14168	2.4
193.15887	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.06733	1.2
51.02372	2.1
53.03946	10.1
55.01871	4.7
55.05508	11.5
56.96574	1.4
57.03435	2.8
57.07064	1.8
59.05000	2.3
65.03941	4.3
67.05506	37.4
68.99773	1.3
69.03428	2.4
69.07079	10.0
71.04991	10.6
71.54826	1.4
75.83578	1.1
78.04700	1.2
79.05493	60.5
81.03419	48.6
81.07059	31.7
83.04977	7.4
83.08625	8.2
85.06557	5.7
85.50952	1.0
91.05484	95.9
93.07046	100.0
95.04970	32.9
95.08594	6.6
97.06524	2.4
99.08102	10.4
102.86347	1.1
103.05456	2.9
105.04526	3.4
105.06324	2.4
105.07030	44.5
107.04970	7.4
107.08582	7.5
109.02879	2.8
109.06528	7.9
109.10168	8.5
111.04457	1.9
111.08073	2.4
113.06007	2.9
115.05465	4.8
117.07080	1.8
119.04967	11.7
119.08583	21.8
121.06564	2.6
121.10164	4.5
123.04420	2.9
123.08093	3.0
123.11723	1.6
129.01863	1.6
129.07021	15.5
131.08566	25.9
133.02840	5.5
133.06497	13.3
133.10132	77.4
135.04440	4.5
135.08022	1.5
135.11710	5.2
137.05972	3.4
137.09642	4.2
142.07793	4.8
147.04402	10.4
147.08055	7.2
147.11697	21.7
149.02374	2.5
149.09615	5.3
151.07455	1.4
151.11232	1.6
157.10136	25.5
161.02345	4.3
161.05978	12.0
165.05437	3.2
165.12781	1.5
175.03920	5.1
175.11194	18.9
175.14752	6.2
178.02600	2.0
178.07761	3.1
193.04965	31.0
193.06735	2.0
193.08598	5.5
193.10222	7.4
193.12265	29.3
193.15894	10.0
193.18713	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02377	0.4
52.18916	0.4
53.03941	3.9
55.01867	2.8
55.05516	8.9
56.96558	0.5
57.03443	2.3
57.07072	1.1
58.04451	0.4
59.05003	0.5
65.03954	2.0
67.05505	25.6
69.03427	3.8
69.07066	4.3
69.47501	3.2
71.01358	0.6
71.04987	2.3
71.32967	0.4
72.12141	0.5
76.03725	0.4
76.06093	0.5
77.03962	0.8
79.05495	16.4
81.03419	100.0
81.07053	15.5
83.04986	6.3
83.08623	13.8
85.06552	1.4
91.05484	23.7
93.07047	9.3
95.04973	38.5
95.08605	7.6
95.09174	0.7
97.02879	2.0
97.06528	1.4
97.10191	0.9
99.08103	2.6
103.05493	1.5
105.03411	0.5
105.04559	0.5
105.07037	15.7
107.04956	8.5
107.08602	8.2
109.02888	0.5
109.06521	4.8
109.10161	12.0
110.97622	0.5
111.04453	1.6
111.08079	4.0
115.05486	1.7
117.07045	1.2
118.04187	0.5
119.04950	4.6
119.08585	16.9
120.26205	0.4
121.06528	3.1
121.10146	7.7
123.04434	1.2
123.08070	5.4
123.11723	1.7
125.05986	0.7
125.09692	0.5
128.06229	0.5
128.98575	0.7
129.05515	0.6
129.07013	7.9
131.08566	6.8
133.02869	2.1
133.06506	6.3
133.10129	9.7
133.11104	0.7
135.04417	2.0
135.08066	0.6
135.11693	10.4
137.05983	0.8
137.09618	4.0
142.07791	2.3
145.10188	0.8
147.04433	4.5
147.08046	4.1
147.11697	5.2
149.09627	4.4
149.13278	2.1
151.11215	1.8
151.14816	1.2
157.10133	5.2
161.02393	1.3
161.05989	3.4
165.05511	0.8
165.12808	1.1
165.16354	0.5
175.03923	2.3
175.11185	5.6
175.14847	8.5
178.02621	0.8
193.04974	7.2
193.08588	2.1
193.12241	10.8
193.15900	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	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02375	0.9
52.17339	0.6
53.03945	3.3
55.01883	2.9
55.05513	10.2
55.77196	0.8
56.96568	1.5
57.03444	2.2
57.07077	2.5
65.03941	3.4
67.05506	30.9
67.89098	0.6
68.99762	0.6
69.03436	3.7
69.07068	7.9
69.73888	0.6
69.97072	3.7
71.01363	0.9
71.04996	6.0
77.03932	1.6
79.05016	1.0
79.05097	0.5
79.05493	30.2
81.03422	48.4
81.07059	23.1
83.04986	10.9
83.08608	8.6
84.84762	0.7
85.06544	5.1
87.04459	3.5
91.05486	86.9
93.03409	1.3
93.07048	23.3
95.04974	29.2
95.08609	14.9
97.02907	2.1
97.06550	3.2
97.10215	1.2
98.21400	0.9
99.08096	12.3
103.05481	3.1
103.51675	0.8
105.03398	2.6
105.07038	50.5
107.04959	8.1
107.08601	19.9
109.02891	1.7
109.06519	8.1
109.10162	21.0
110.97588	4.9
111.04455	1.5
111.08105	1.9
115.05476	2.3
117.07030	2.4
118.04185	0.9
119.04954	19.4
119.08585	35.5
121.06486	4.7
121.10154	12.0
123.04440	3.1
123.08092	6.0
123.11710	4.8
125.06001	4.4
128.98642	5.7
129.05518	0.9
129.06978	5.5
131.08572	14.3
133.02846	5.0
133.06502	17.0
133.10138	100.0
134.10521	1.5
135.04449	4.7
135.08124	1.2
135.10699	1.6
135.11693	17.8
137.05989	2.3
137.09622	16.8
142.07773	2.1
142.11589	0.8
145.10121	2.8
146.99655	2.4
147.04416	17.1
147.08054	5.9
147.11703	26.4
149.06033	1.4
149.09619	17.1
149.13245	3.0
151.07574	1.4
151.11154	5.5
151.14825	1.5
157.10167	5.1
161.02371	4.9
161.06021	12.4
163.03844	1.3
165.05479	3.3
165.12766	2.8
165.16420	1.2
175.03920	10.0
175.11203	28.9
175.14833	23.7
178.02547	1.0
193.05029	18.3
193.08614	8.4
193.12242	29.0
193.15918	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	193.0496
Annotation	trans-o-Hydroxybenzylidenepyruvate
Peak:m/z	Relative Intensity
51.02387	0.4
53.03952	1.4
55.01860	1.2
61.59949	0.5
63.31346	0.5
64.53803	0.5
65.03946	6.6
67.05508	15.3
71.01353	2.1
77.03928	0.7
79.05494	9.8
81.03397	0.5
81.07057	6.7
87.49675	0.5
91.05486	100.0
91.26203	0.6
93.07043	1.9
95.01326	1.2
95.04971	16.1
98.21523	1.4
99.00809	0.8
101.41106	0.4
103.05481	1.8
105.03382	3.2
105.04544	0.7
107.04948	2.7
109.02904	0.6
109.06532	5.1
118.04207	0.6
119.04947	74.0
121.06514	2.1
123.04425	9.8
129.03400	0.7
131.04930	1.3
133.02867	0.8
135.04427	2.1
137.05998	3.3
141.05408	0.7
147.04419	59.4
149.05988	1.9
161.06023	0.6
163.03940	0.6
165.05484	5.3
173.02455	0.5
175.03920	30.1
193.04970	7.4
193.06566	1.0
208.58855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	trans-o-Hydroxybenzylidenepyruvate
Peak:m/z	Relative Intensity
51.02367	0.5
53.03949	2.1
55.01868	1.3
55.05471	0.5
63.00397	0.4
65.03938	7.3
67.05507	14.6
69.03424	1.3
70.56617	1.5
71.01356	2.3
77.03947	0.6
79.05498	13.8
81.03421	1.5
81.07063	7.8
83.01331	0.4
83.04993	0.7
91.05483	100.0
93.07037	1.9
93.07572	0.5
95.01347	2.3
95.04973	22.4
96.25163	0.4
97.02894	1.0
97.06539	1.1
99.00819	0.8
103.05464	1.9
105.03399	2.6
105.04518	0.9
105.07040	0.9
107.04968	5.5
109.02892	0.7
109.06526	5.2
118.04166	1.0
119.04945	66.2
121.06509	1.6
123.04430	8.3
125.05981	2.6
129.03386	0.9
131.04936	0.7
133.02841	1.7
135.04402	2.2
137.05975	3.5
147.04414	63.9
149.05988	1.7
161.02388	0.8
163.03928	1.2
165.05502	6.1
175.03914	26.8
178.02611	0.7
193.04964	12.1
195.86621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0498
Annotation	trans-o-Hydroxybenzylidenepyruvate
Peak:m/z	Relative Intensity
53.03948	1.7
55.01875	1.1
63.02354	0.5
65.03942	7.5
67.05505	15.9
70.62764	0.6
70.63104	1.4
71.01375	2.8
79.05495	8.7
80.69050	0.4
81.03439	0.8
81.07064	3.7
91.05488	100.0
93.07053	1.9
95.01339	0.6
95.04972	14.9
97.02923	0.5
98.21436	0.5
103.05460	1.7
105.03400	2.4
107.04976	2.6
109.02902	0.5
109.06553	2.8
118.04163	1.8
119.04951	68.5
121.06519	1.2
123.04435	8.5
129.03366	0.7
133.02773	0.8
133.06436	0.7
133.95407	0.5
135.04436	1.6
137.05981	2.2
145.16144	0.5
147.04416	57.6
149.05980	1.3
156.72661	0.5
163.03845	0.8
165.05484	4.3
173.02469	0.7
175.03920	29.3
193.04984	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	192.0768
Annotation	Carbendazim
Peak:m/z	Relative Intensity
55.05500	0.2
56.96551	0.3
67.05492	0.3
69.03416	0.1
69.07088	0.2
71.36127	0.2
81.07019	0.2
83.04984	0.1
91.05479	0.4
92.04971	0.2
92.05830	0.3
93.07064	0.3
94.07385	0.2
97.06522	0.2
98.97594	0.2
105.04541	0.2
105.07030	0.5
106.07340	0.4
107.04967	0.2
107.08600	0.3
108.08926	0.4
110.07168	0.2
112.26840	0.1
118.07343	0.3
119.04948	0.2
119.08569	0.2
120.08907	0.3
121.10112	0.3
122.10444	0.4
130.60168	0.1
131.08527	0.2
132.04555	0.2
132.05559	2.2
132.08902	1.0
133.05342	0.2
133.06363	0.3
133.10152	0.5
134.10469	1.2
135.05515	0.3
136.08333	0.2
146.06007	0.2
146.10440	0.3
150.13637	0.2
150.96939	0.2
154.09158	0.1
159.11279	0.2
160.05061	100.0
161.05411	0.4
163.25308	0.1
174.13696	0.7
178.02637	0.2
192.07689	27.8
192.14836	1.2
192.17458	0.4
193.04959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03947	1.0
55.05510	6.8
57.07069	1.8
65.21339	0.7
67.05507	6.6
68.15747	0.7
69.03430	1.2
69.07073	22.3
69.31280	7.2
71.04991	1.1
79.05495	7.8
81.07059	9.0
83.04985	0.8
83.08618	6.9
91.05478	5.0
93.07045	28.3
95.08611	49.0
97.10178	5.5
98.20790	1.8
105.07014	4.0
106.31571	0.8
107.04966	1.4
107.07883	1.5
107.08601	28.9
109.06543	1.0
109.10157	20.6
111.11728	1.8
112.13235	0.7
119.08587	1.8
121.10146	44.4
123.11728	3.4
126.55148	0.7
131.08557	2.9
133.10143	3.4
135.08049	2.9
135.11699	36.2
137.73874	0.8
145.10123	1.3
147.11702	2.3
149.08249	1.5
149.09563	1.3
149.13281	9.8
158.10788	0.9
159.04494	1.2
173.13200	2.3
190.15089	0.9
191.03357	2.0
191.07115	1.9
191.10695	2.2
191.14340	9.1
191.17952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05513	8.4
57.07068	1.7
67.05193	1.0
67.05511	6.6
69.03424	1.7
69.07073	24.1
71.55411	1.4
72.42168	0.9
79.05495	9.3
81.07061	9.6
83.04981	1.1
83.08617	9.2
84.21581	0.9
91.05457	5.4
93.07045	29.4
95.04945	1.3
95.08611	56.0
97.10190	5.5
103.05452	1.2
105.07024	4.6
107.04944	1.0
107.08602	32.0
109.06539	1.4
109.10166	21.0
111.11732	1.2
117.06989	1.2
119.08566	3.0
121.06548	1.0
121.10149	49.4
123.08121	1.1
123.11737	4.6
123.12505	0.9
131.08565	3.9
133.10104	2.5
135.08052	3.7
135.11699	38.1
135.12741	2.1
145.10101	2.4
147.11696	2.2
149.09541	1.3
149.13283	8.7
150.02663	1.2
154.65680	0.9
158.10820	0.9
159.04352	0.9
163.11150	1.3
163.14859	1.3
167.28191	1.0
173.09563	0.9
173.13266	3.5
191.03389	2.3
191.06990	3.0
191.10669	3.0
191.14342	10.6
191.17952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03936	1.0
55.05511	8.5
57.07069	2.3
67.05501	7.4
69.07069	26.1
69.62749	2.2
69.63163	2.8
79.05491	7.3
81.07055	10.9
83.08619	8.5
87.21574	0.7
89.50348	0.7
91.05470	4.7
91.83254	0.7
93.07047	28.0
95.08608	49.7
97.10173	6.4
105.07019	3.0
107.08595	36.0
107.91127	0.9
109.06526	1.2
109.10159	24.4
111.11714	1.1
121.10144	56.8
123.11691	5.5
130.25470	0.8
133.10117	1.3
135.11691	42.3
149.13252	9.3
163.14832	0.9
191.06010	2.6
191.17950	100.0
211.16780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03934	1.5
55.05514	8.7
57.07065	2.6
67.05504	9.1
68.46001	0.7
69.07067	28.1
70.33907	2.5
70.34241	0.8
75.85141	0.8
79.05489	10.6
81.07055	10.4
83.08617	9.3
91.05477	5.7
93.07046	29.1
95.04993	0.8
95.08605	52.9
97.10155	6.8
103.05473	1.2
105.07021	3.6
107.04961	1.4
107.08592	37.9
109.06504	1.9
109.10156	27.3
111.11722	2.0
113.89806	0.8
119.08546	1.9
121.10145	58.2
123.11724	4.3
131.08531	1.6
133.10095	4.2
135.08121	1.8
135.11688	39.7
145.10112	1.6
147.11633	1.3
149.13248	11.4
159.04497	2.0
163.14760	1.7
191.03477	1.8
191.05949	2.8
191.10698	1.7
191.14372	6.6
191.17946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01869	3.0
55.05507	6.0
57.07056	2.3
58.10917	1.3
60.85284	1.4
65.13572	1.3
67.05509	22.5
69.03426	3.5
69.07077	16.9
71.04995	21.3
71.33144	2.8
71.57394	1.4
75.35033	1.4
79.05498	13.9
81.07056	17.7
83.04962	1.9
83.08617	5.3
85.06531	6.0
91.05482	19.9
93.07038	20.8
95.04960	13.8
95.08611	28.8
97.06528	4.3
97.10146	2.7
105.07031	26.1
107.04947	1.8
107.08594	48.5
109.06522	75.6
109.10159	100.0
114.31041	1.6
115.05443	2.0
117.07008	5.6
119.06017	1.7
119.08563	8.9
121.06495	5.2
121.10142	41.8
123.08071	20.2
131.08563	38.5
133.10127	25.1
135.08057	86.9
135.11653	12.0
137.09604	1.6
143.08632	2.7
144.09351	2.6
145.10104	12.6
147.08075	1.5
147.11665	12.5
149.09627	10.4
149.13245	14.4
150.10384	2.5
158.10910	8.8
161.09657	2.4
163.11115	2.1
163.14919	1.6
173.13269	47.9
176.11935	2.2
191.03427	3.6
191.05936	2.8
191.14307	95.6
191.17940	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.41752	0.4
55.05514	2.7
57.07081	0.6
65.03947	0.6
67.05504	3.4
69.03429	6.7
69.07084	2.9
69.22395	0.5
69.69915	2.5
79.05494	5.1
81.03415	0.5
81.07053	5.4
83.04984	1.9
83.08620	0.8
87.05843	0.4
91.05495	4.7
93.07046	4.7
95.04972	0.8
95.08601	2.1
97.06479	0.5
98.20809	0.7
103.05465	0.5
105.07040	10.8
105.07777	0.5
107.04960	2.4
107.08601	18.1
108.74854	0.4
109.06505	1.2
109.10159	7.0
115.05437	1.0
117.06996	1.1
119.08582	3.3
121.06507	1.6
121.10142	11.6
122.07294	2.0
123.08057	1.4
129.06999	0.5
131.08559	3.3
133.10135	100.0
135.08063	3.4
135.11699	2.2
137.09625	15.7
143.08557	1.1
145.10126	2.1
147.11662	2.2
149.09612	1.0
149.13261	11.9
150.71521	0.5
158.10948	2.3
163.14827	2.5
173.13266	9.2
191.05937	0.4
191.10577	0.5
191.14314	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01875	1.4
55.05511	6.5
56.65526	0.9
57.03436	1.6
57.07067	2.6
65.03909	1.2
67.05501	5.1
67.35216	0.8
69.03432	31.6
69.07069	11.8
69.72129	5.3
73.18620	0.9
79.05498	8.4
81.07059	11.3
83.04979	9.2
83.08604	2.9
85.06528	1.5
91.05486	11.9
93.07040	12.7
95.04968	3.5
95.08611	8.9
97.06516	3.1
98.21471	1.8
102.74126	0.9
103.05474	1.4
105.07038	13.9
107.04965	6.6
107.08597	37.7
109.06540	6.4
109.10162	7.3
111.08067	1.3
115.05421	1.8
116.06155	1.0
117.07014	3.1
118.52876	1.0
119.08572	9.6
121.06504	12.9
121.10144	25.3
122.07272	1.7
123.08043	6.9
129.06975	1.0
131.04887	1.2
131.08574	16.2
133.10135	77.8
135.08055	19.2
135.11700	5.3
137.09602	11.3
143.08578	2.4
144.09323	1.3
145.10124	7.0
147.11702	13.0
148.08836	1.5
149.09633	12.2
149.13261	14.3
158.10915	7.9
159.04433	1.1
161.09618	3.2
163.11139	1.8
163.14827	8.1
173.13272	25.7
176.11980	2.3
191.05836	1.8
191.14311	100.0
195.76765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.95592	0.8
53.03934	1.8
55.01863	2.0
55.05513	10.0
56.96566	1.3
57.07059	1.7
67.05510	8.0
69.03442	8.0
69.07074	12.6
71.04990	3.0
71.06641	1.7
73.30022	0.9
75.31350	0.9
79.05064	1.3
79.05498	14.9
79.75586	0.8
81.07061	18.8
83.04977	8.1
83.08611	3.5
85.06548	4.8
88.16110	0.9
91.05486	15.6
93.06488	2.0
93.07048	29.3
95.04974	4.9
95.08611	25.5
97.06530	9.6
101.10338	1.3
103.05440	1.9
105.06324	1.3
105.07037	25.2
107.04961	19.7
107.08600	64.5
109.06528	15.9
109.10175	6.1
111.08085	6.5
113.81958	1.0
116.06232	1.1
117.07031	3.3
119.06067	1.1
119.08591	14.4
119.57992	0.9
121.06517	39.4
121.10152	62.4
123.08080	18.1
123.11703	1.6
129.07027	2.1
131.04951	1.0
131.08578	29.3
133.07573	0.9
133.10136	30.6
135.04433	1.9
135.08069	23.0
135.11697	6.9
143.08560	5.0
145.10126	12.3
147.08035	1.6
147.11702	19.6
149.09628	33.3
149.13271	14.4
158.10944	4.8
159.04588	1.2
163.11211	5.9
163.14845	18.1
167.25714	1.0
173.13274	43.2
191.03412	1.0
191.05952	1.8
191.14316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01863	2.7
55.05513	9.3
56.96516	1.3
57.03418	1.8
57.07064	2.4
62.81366	1.1
65.03934	1.3
67.05508	6.3
69.03436	8.5
69.07067	12.2
69.56622	6.5
71.04988	3.3
77.03914	1.6
77.04662	1.1
79.05500	14.6
81.06593	1.4
81.07060	18.5
83.04986	11.3
83.08625	5.8
85.06548	3.5
91.05487	16.0
93.06495	1.7
93.07052	26.4
95.04967	5.4
95.08617	30.4
97.06525	9.5
99.08041	1.6
103.05463	3.3
105.04495	1.5
105.06332	1.3
105.07034	26.8
107.04971	20.0
107.08603	60.8
109.06519	18.6
109.10168	6.5
111.08117	5.1
117.07008	3.9
119.08589	13.7
121.06520	42.6
121.10155	66.4
123.08079	16.6
129.03287	1.3
129.06992	2.6
131.08586	31.6
133.10147	32.5
135.04440	4.0
135.08061	24.6
135.11688	8.2
143.08545	4.6
144.09367	1.8
145.10146	11.7
147.11707	20.1
148.08850	1.7
149.09630	31.5
149.13263	17.8
158.10898	5.6
159.04494	1.4
163.11185	4.5
163.14848	17.9
173.11803	2.3
173.13275	39.1
176.12057	1.4
189.75145	1.0
191.03435	1.2
191.05959	2.6
191.14319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.3
53.03937	3.8
55.01866	1.9
55.05524	7.6
55.43066	1.2
57.07073	2.8
61.26580	1.2
63.61724	1.2
65.03652	1.6
65.03944	16.6
67.05510	9.4
69.03432	9.4
69.07070	16.2
69.58821	7.3
69.66933	1.3
71.04984	3.9
79.05498	30.5
81.07059	22.6
83.04967	6.1
83.08616	3.4
85.06544	2.7
89.03925	13.8
91.05485	100.0
93.03396	1.4
93.07040	14.1
95.04967	13.1
95.08613	24.0
97.06512	6.0
98.20766	2.8
99.08086	3.0
103.02157	2.2
103.05471	12.4
105.04470	1.5
105.07039	36.4
107.04966	26.7
107.05650	2.9
107.08598	38.7
109.06521	12.6
109.10184	8.0
114.05537	3.7
116.06165	1.5
117.03388	13.9
117.07003	5.5
118.04144	6.3
119.04959	18.8
119.08585	28.9
120.04824	3.1
121.06509	11.7
121.09326	2.2
121.10149	30.3
123.08048	4.8
123.11715	1.6
129.07031	2.4
131.04974	9.6
131.08580	29.9
133.10133	37.4
135.04422	23.8
135.08054	21.1
135.11739	8.5
137.09651	2.0
137.13277	1.7
143.08557	5.1
144.09349	2.3
145.02856	48.5
145.04002	3.1
145.10132	16.2
147.04446	2.1
147.08037	2.5
147.11693	51.2
148.08794	1.8
149.09624	72.3
149.13275	13.1
155.14322	1.6
158.10910	7.5
159.04439	18.1
160.05090	1.7
162.03159	1.7
163.03912	39.1
163.07443	1.6
163.11136	2.3
163.14810	7.7
173.02333	5.1
173.13272	37.3
176.11955	1.8
189.05460	1.8
191.03403	75.1
191.07124	22.6
191.08618	2.6
191.14307	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.3
53.03937	3.8
55.01866	1.9
55.05524	7.6
55.43066	1.2
57.07073	2.8
61.26580	1.2
63.61724	1.2
65.03652	1.6
65.03944	16.6
67.05510	9.4
69.03432	9.4
69.07070	16.2
69.58821	7.3
69.66933	1.3
71.04984	3.9
79.05498	30.5
81.07059	22.6
83.04967	6.1
83.08616	3.4
85.06544	2.7
89.03925	13.8
91.05485	100.0
93.03396	1.4
93.07040	14.1
95.04967	13.1
95.08613	24.0
97.06512	6.0
98.20766	2.8
99.08086	3.0
103.02157	2.2
103.05471	12.4
105.04470	1.5
105.07039	36.4
107.04966	26.7
107.05650	2.9
107.08598	38.7
109.06521	12.6
109.10184	8.0
114.05537	3.7
116.06165	1.5
117.03388	13.9
117.07003	5.5
118.04144	6.3
119.04959	18.8
119.08585	28.9
120.04824	3.1
121.06509	11.7
121.09326	2.2
121.10149	30.3
123.08048	4.8
123.11715	1.6
129.07031	2.4
131.04974	9.6
131.08580	29.9
133.10133	37.4
135.04422	23.8
135.08054	21.1
135.11739	8.5
137.09651	2.0
137.13277	1.7
143.08557	5.1
144.09349	2.3
145.02856	48.5
145.04002	3.1
145.10132	16.2
147.04446	2.1
147.08037	2.5
147.11693	51.2
148.08794	1.8
149.09624	72.3
149.13275	13.1
155.14322	1.6
158.10910	7.5
159.04439	18.1
160.05090	1.7
162.03159	1.7
163.03912	39.1
163.07443	1.6
163.11136	2.3
163.14810	7.7
173.02333	5.1
173.13272	37.3
176.11955	1.8
189.05460	1.8
191.03403	75.1
191.07124	22.6
191.08618	2.6
191.14307	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03940	3.6
55.01878	2.0
55.05513	7.6
57.03437	1.9
57.07057	2.6
58.28181	1.5
59.96222	1.7
60.13407	1.6
65.03938	4.0
67.05516	12.0
69.03419	7.0
69.07062	11.8
70.59800	5.0
71.04974	5.6
79.05495	18.8
81.07051	14.2
83.04974	3.8
83.08629	2.8
85.06538	5.3
91.05486	37.9
93.07056	21.9
95.04955	9.8
95.08612	10.1
97.06557	8.6
97.07069	1.5
103.05447	10.5
105.07040	59.6
107.04921	2.4
107.08600	42.1
108.44582	1.6
109.06528	15.2
109.10163	14.7
111.08018	1.7
115.05446	3.4
116.06245	2.9
117.03396	2.6
117.07026	13.1
119.08581	37.2
121.06509	8.2
121.10137	28.0
123.08104	9.6
123.11774	2.1
129.07025	8.5
130.07758	4.1
131.04924	15.9
131.08574	90.3
132.09367	2.1
133.10138	100.0
135.04431	2.8
135.08067	28.7
135.11708	4.0
143.08594	12.6
144.09351	6.5
145.02863	6.6
145.06487	1.9
145.10129	51.8
147.04404	1.9
147.08067	3.7
147.11694	48.3
149.09645	14.6
149.13251	25.5
158.10893	23.8
159.04416	28.3
163.03931	4.0
163.07593	4.8
163.11272	4.4
163.14818	8.0
171.11699	1.7
173.09622	5.3
173.13269	99.9
191.03424	31.3
191.07184	29.6
191.10686	19.8
191.14314	77.8
191.16092	2.1
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
55.01867	2.2
55.05513	5.7
57.03446	1.4
57.07065	1.9
67.05489	4.6
69.03430	66.0
69.07069	20.2
69.27346	9.6
71.04975	1.9
73.87486	1.2
79.05496	8.4
81.07048	7.9
83.04984	5.6
83.08611	4.6
85.06538	2.7
91.05479	8.6
93.07043	15.8
95.04958	2.1
95.08610	9.7
97.06517	2.5
98.20777	1.7
103.05430	1.7
105.07022	13.8
107.04942	2.1
107.08604	26.3
109.06507	4.7
109.10187	5.0
111.08051	2.8
112.76559	0.9
115.05429	1.8
117.07016	2.5
119.08588	18.9
121.06490	6.8
121.10146	23.7
123.08075	7.2
128.06314	1.1
129.06990	1.3
131.04922	1.3
131.08578	15.5
133.10135	24.4
135.08057	25.7
135.11694	11.4
137.09630	1.3
143.08565	3.9
144.09346	1.6
145.10144	10.6
147.08051	1.2
147.11690	19.3
149.09637	10.9
149.13268	12.6
150.51862	1.0
158.10896	6.0
159.04407	2.1
161.09581	1.5
163.03969	1.3
163.11195	3.4
163.14822	7.1
173.13278	26.4
176.12053	3.0
191.03363	2.8
191.05766	1.7
191.07158	3.2
191.14314	100.0
191.17940	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	189.0545
Annotation	2-Methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
51.93243	0.3
65.13594	0.3
70.94391	0.7
70.94759	0.3
75.02369	0.3
79.05498	0.4
84.09393	0.3
101.03948	0.3
102.04723	0.4
103.05459	1.8
105.07008	0.7
114.11462	0.3
118.04158	3.5
129.03366	42.7
130.55347	0.3
131.04932	5.3
144.06641	0.3
146.03610	2.4
159.04427	0.7
161.05978	9.7
189.05466	100.0
190.05775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0547
Annotation	2-Methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
61.32600	0.3
67.76753	0.3
70.68979	0.6
70.69321	0.6
73.99804	0.3
75.02395	0.5
77.03960	0.3
79.05482	0.4
101.03897	0.5
102.04694	0.4
103.05476	2.3
105.07036	0.7
118.04169	4.0
129.03372	49.4
131.04936	5.4
133.06493	0.5
146.03627	2.5
159.04471	0.6
161.05992	10.7
168.93678	0.3
189.05472	100.0
190.05814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83801	0.8
73.97379	0.3
73.99136	0.3
75.02399	0.4
79.05495	0.8
93.73717	0.3
94.78506	0.3
102.04694	0.4
103.05474	1.7
105.07046	0.8
118.04163	3.5
129.03371	42.0
131.04941	4.8
133.06459	0.4
146.03641	2.4
159.04420	0.7
161.05984	10.2
172.41986	0.3
189.05469	100.0
190.05745	0.7
192.67619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0547
Annotation	2-Methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
51.02385	0.3
51.47133	0.1
52.89015	0.1
53.03954	0.2
55.53402	0.1
71.31689	0.1
75.02370	0.6
77.03928	0.3
78.03732	0.1
79.05497	0.6
89.03938	0.4
90.04698	0.4
91.05491	0.2
95.04978	0.2
101.03913	0.3
102.04704	0.6
103.05473	2.4
105.04526	0.2
105.07049	1.2
115.05505	0.3
118.04167	3.8
125.22333	0.1
129.03372	53.1
130.04184	0.2
130.58305	0.1
131.04932	5.5
133.06520	0.3
145.02850	0.6
146.03639	2.7
157.02893	0.2
159.04416	0.6
161.05989	11.9
189.05473	100.0
190.05794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41014	0.3
53.03936	0.3
55.78096	0.3
61.18963	0.3
71.27712	0.5
75.02368	0.4
101.03905	0.3
102.04661	0.4
103.05456	1.8
105.07050	0.9
115.91928	0.3
118.04156	3.3
129.03374	47.2
131.04945	5.0
145.02835	0.5
146.03645	3.1
148.27979	0.3
159.04393	0.4
161.05991	12.0
189.05476	100.0
190.05869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0546
Annotation	2-Methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
51.02400	0.3
51.98646	0.3
53.28520	0.3
61.35726	0.2
66.15582	0.3
69.96501	1.3
75.02364	0.3
79.05487	0.6
101.03934	0.4
102.04723	0.3
103.05484	2.2
105.07043	0.6
107.94740	0.3
118.04162	3.0
119.08633	0.3
126.61359	0.2
129.03369	45.9
131.04935	4.7
145.02905	0.3
146.03629	2.4
159.04460	0.8
161.04639	0.4
161.05994	11.1
189.05470	100.0
190.05757	0.5
196.13885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1174
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
51.23854	0.5
52.42805	0.5
53.03944	1.9
54.72327	0.6
55.01883	0.8
55.05511	4.3
56.96574	2.7
57.03442	5.8
57.07072	0.7
59.05013	0.5
65.03944	0.7
67.05521	5.5
68.99815	0.5
69.03445	2.6
69.07069	9.7
70.59697	1.2
70.60027	0.7
71.04981	1.4
71.08620	0.6
75.04483	15.1
77.74161	0.5
79.05494	11.3
81.07060	47.3
83.04977	1.7
83.08615	2.0
85.02907	1.0
86.09704	1.6
91.05488	12.3
93.07048	100.0
94.07349	0.6
95.04980	3.7
95.08611	14.5
97.02870	0.9
97.06538	3.1
97.10158	1.2
98.21468	0.6
101.00887	0.7
102.96875	8.0
105.04478	0.6
105.07027	9.2
107.04990	1.1
107.08595	6.8
109.06544	2.0
109.10167	5.3
110.03707	0.7
111.04449	1.0
111.08088	27.6
111.11732	2.2
118.92900	0.5
119.08604	2.7
120.02049	1.5
120.97919	5.7
121.06508	1.7
121.10149	66.9
123.08086	2.1
123.11710	9.5
125.06009	4.8
125.09636	0.7
129.07005	0.6
131.08563	3.2
133.07625	1.1
137.09592	3.5
138.98941	1.5
139.01945	0.6
139.03908	1.0
139.07578	1.6
139.11217	8.0
142.07825	0.6
143.08565	0.6
149.09630	8.2
153.05450	3.2
154.06279	1.3
163.01770	0.5
167.07057	1.2
167.10687	23.1
170.10985	0.8
181.02824	0.8
185.08231	1.3
185.11778	6.2
185.13222	1.1
198.71678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0811
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03925	0.7
55.01844	0.7
55.05499	1.6
56.96546	1.8
57.03418	2.2
59.95405	0.6
60.95836	1.0
65.03933	1.1
67.05510	3.2
67.46322	0.7
68.99783	1.8
69.03417	1.4
69.07069	4.2
71.05000	1.0
71.12493	1.3
75.04485	6.4
78.17496	0.6
79.01842	1.3
79.05493	4.8
81.03384	0.6
81.07066	15.9
82.04168	1.6
83.04954	1.5
83.08605	0.7
85.02908	0.8
86.09670	0.7
91.05495	4.1
93.03357	0.8
93.07051	33.0
95.01328	4.8
95.04939	1.9
95.08617	5.9
97.06537	1.8
102.96871	5.8
105.07051	3.4
106.09443	0.7
107.08599	3.9
109.06522	0.9
109.10134	1.7
110.03674	23.0
111.04448	6.2
111.08091	9.5
111.22040	0.6
119.01898	0.5
119.08575	1.1
120.02078	0.7
120.97887	3.2
121.10155	24.3
123.00786	0.8
123.04420	2.0
123.08068	1.1
123.11710	3.0
125.06003	68.0
127.03947	4.5
131.08537	2.6
133.07538	0.8
137.09612	2.4
137.83223	0.5
138.03128	1.1
138.98903	1.1
139.03917	15.5
139.07555	1.3
139.11206	4.1
141.05461	0.9
149.09618	4.9
153.05479	100.0
154.06259	36.9
155.03424	2.5
155.06964	1.5
156.04164	1.0
167.07121	0.7
167.10681	7.7
170.05771	7.3
185.08121	38.9
185.11641	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	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98766	0.5
54.17775	0.3
56.96568	0.6
57.03421	0.6
69.41759	0.4
70.19159	1.5
73.02935	0.8
78.77557	0.4
82.99841	6.0
85.02914	0.5
89.89941	0.4
97.02882	0.5
100.02497	0.6
100.93124	0.4
101.00887	53.3
102.01046	0.5
102.02337	0.4
115.02438	0.6
119.01925	100.0
120.01963	0.8
121.04401	0.4
124.02452	5.4
124.37057	0.4
137.02963	14.5
142.03505	29.0
143.01917	3.9
143.03586	1.0
155.81052	0.4
157.03468	1.1
160.04568	3.8
161.02966	18.3
166.03519	0.4
177.72148	0.4
179.04021	14.8
179.05618	0.8
184.04584	1.5
202.05757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	1.0
61.84340	1.0
63.22861	0.9
69.03416	1.9
69.66003	5.5
73.02905	1.3
74.59492	0.9
78.40280	0.8
78.65628	0.9
81.03415	2.0
82.99830	5.3
85.02914	1.2
87.12733	1.1
88.67428	0.8
97.02888	3.6
101.00887	53.2
101.97755	1.3
119.01923	100.0
124.02464	3.5
131.01897	1.6
132.03419	2.3
137.02946	16.9
142.03500	24.4
143.01871	5.3
143.03552	1.8
153.03973	3.1
153.55232	0.8
157.03467	1.1
160.04553	4.7
161.02946	17.7
162.04517	4.1
162.54651	1.4
179.04022	14.9
184.05809	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
68.15336	0.3
69.96537	1.7
79.51579	0.3
82.99842	7.1
85.44347	0.3
101.00883	54.9
102.00921	0.5
105.54377	0.4
111.00406	0.4
119.01923	100.0
120.02043	1.0
124.02448	4.2
125.02562	0.4
137.02960	15.6
142.03502	25.3
143.01930	1.1
143.03638	1.2
146.97083	0.4
160.04553	3.8
160.97264	0.3
161.02960	13.0
165.05174	0.3
166.17958	0.3
179.04008	12.8
179.05574	0.7
184.67455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0865
Annotation	D-Sorbitol
Peak:m/z	Relative Intensity
53.03938	2.2
55.01877	3.2
55.05515	6.7
57.03442	14.0
58.52017	0.7
59.05002	1.1
61.02931	11.7
67.05510	1.9
69.03432	100.0
71.01360	0.9
71.05000	4.2
71.48481	1.4
73.02929	3.8
75.04465	1.1
77.66550	0.6
81.03394	3.8
82.46792	0.7
83.04984	22.7
83.05476	1.2
85.02911	22.0
87.04471	8.9
91.03975	1.5
95.04989	2.2
98.97655	0.7
98.98466	1.0
99.04462	12.8
101.06060	0.9
103.03948	3.7
105.03421	0.9
110.41490	0.7
111.04444	11.9
117.05531	1.9
119.01925	1.2
119.04938	0.8
123.04446	1.4
129.05472	9.1
139.07594	1.5
142.03537	1.0
147.04527	1.3
147.06543	7.1
165.07668	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0865
Annotation	D-Sorbitol
Peak:m/z	Relative Intensity
53.03946	2.0
55.01868	4.0
55.05276	0.8
55.05514	7.9
57.03440	13.2
57.09981	0.6
59.04997	0.8
60.00748	0.7
61.02648	1.2
61.02928	11.8
64.59752	0.7
67.05502	0.8
69.03432	100.0
69.51906	4.4
71.04994	4.0
73.02916	3.4
80.55046	0.7
81.03407	3.7
83.04980	22.0
85.02905	21.7
87.04482	8.5
91.03973	1.5
95.05021	1.1
99.04456	12.7
100.98012	0.9
101.00872	3.8
103.03944	4.1
111.04440	13.1
117.05532	1.3
119.01922	6.2
123.04454	0.9
129.05499	9.6
139.07625	0.9
142.03522	5.5
147.06534	6.9
160.04471	1.2
165.07558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20173	0.6
53.03957	1.3
53.37153	0.7
55.01874	3.3
55.05517	8.7
57.03442	14.4
59.04997	0.7
61.02930	12.6
67.05521	0.8
69.03435	100.0
71.04996	4.7
71.27175	1.4
73.02914	3.2
81.03418	3.8
83.04986	21.1
83.05473	1.4
85.02911	20.5
87.04472	7.6
91.03965	1.3
98.74636	0.7
99.04469	14.2
101.00893	3.0
103.03947	4.9
111.04445	12.2
112.18768	0.7
116.02169	0.8
119.01936	3.3
123.02945	0.7
129.05498	9.9
142.03532	2.5
147.06526	7.4
160.04605	1.0
161.03008	1.0
162.12682	0.7
165.07538	0.8
192.81949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
54.08186	1.1
55.01870	2.0
55.05505	3.6
56.96555	1.3
57.03436	1.2
57.04556	2.6
57.07076	31.9
59.04999	2.7
60.67634	1.2
67.05496	2.5
69.07067	4.3
69.20449	7.3
69.20874	4.7
71.06117	1.1
79.05495	10.4
81.03423	5.9
81.07066	5.9
83.04984	59.6
87.40522	1.1
91.05477	4.4
93.07061	7.3
95.04983	20.0
95.49090	1.4
97.05919	2.1
97.06535	35.0
98.07167	3.3
98.97593	22.6
99.05592	12.0
105.07041	4.0
107.04960	2.7
107.08596	10.4
109.03995	2.1
116.98624	11.1
117.07009	2.5
117.09623	1.1
119.08588	2.8
121.06516	3.9
121.10142	12.8
122.07155	1.9
123.08060	1.6
125.06001	96.4
130.07794	2.0
134.99704	3.2
135.08109	2.0
135.11710	4.4
139.09877	1.7
140.00186	3.3
145.10121	9.9
158.01273	1.6
163.11185	100.0
181.04875	1.6
181.10928	2.7
181.12254	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08462	0.3
69.88995	1.6
74.73737	0.4
74.95036	0.4
78.58967	0.4
82.01421	0.9
82.99835	8.2
94.51500	0.3
98.21432	0.4
100.02486	1.5
101.00877	64.7
101.62629	0.3
102.01019	0.3
111.00449	0.6
117.56010	0.4
118.03522	1.7
119.01915	100.0
124.02444	12.5
136.04535	0.9
137.02946	14.1
142.03491	71.0
143.01909	0.4
143.03575	1.0
146.65085	0.4
160.04549	26.5
161.02957	11.4
161.04373	0.6
165.05124	1.3
178.05595	3.9
179.04005	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03955	1.2
55.01878	1.5
55.05508	1.7
56.07180	0.7
56.96572	6.4
57.07079	16.2
59.04993	2.2
65.03955	0.8
67.05501	2.3
69.07068	2.3
69.56291	4.6
71.95261	1.8
79.05499	7.9
81.03426	4.2
81.07055	4.6
83.04985	29.1
91.05476	3.9
93.07041	6.6
95.04974	10.6
95.08597	1.0
97.06541	16.1
98.13164	0.7
98.97591	100.0
105.07039	3.3
107.04970	2.8
107.08602	5.4
109.06557	1.7
111.04412	0.9
116.98630	45.5
117.07053	3.3
119.04984	0.9
119.08606	1.8
121.02894	1.4
121.06495	4.3
121.10146	5.7
125.02351	0.8
125.06001	49.8
134.99669	11.0
135.08104	3.6
135.11728	3.6
135.26639	0.7
137.05963	1.1
139.07547	2.7
140.00243	4.7
145.10138	4.7
149.02377	5.8
149.06003	1.8
153.00766	0.9
158.01250	4.1
163.03926	4.6
163.07552	3.1
163.11189	44.4
181.05009	3.4
181.08623	1.3
181.10635	1.3
181.12233	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.10410	0.7
53.03929	1.0
55.01873	0.8
55.05517	1.3
57.03426	0.8
57.04558	1.6
57.07077	27.7
58.96924	0.7
59.05011	3.8
67.05500	1.0
69.03443	1.1
69.07076	3.8
69.07400	0.7
70.59975	2.1
70.60320	0.8
71.06135	0.8
76.34689	0.9
78.02242	0.8
79.05490	9.5
81.03424	7.0
81.07063	5.6
83.04983	53.0
85.06539	1.3
90.73247	0.7
91.05477	2.4
93.07054	5.7
95.04977	16.6
95.08582	0.8
97.06533	30.2
98.97581	9.8
99.05581	6.3
105.07035	4.2
107.04935	3.1
107.08604	7.6
116.98616	4.1
117.07017	2.4
119.08563	2.5
121.06509	2.1
121.10152	10.6
123.08073	1.7
125.05998	88.3
130.07814	1.9
134.99713	1.1
135.11696	4.5
140.00215	1.5
145.10132	8.4
163.11183	100.0
167.36467	0.8
172.16614	0.7
176.80872	0.9
181.12236	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid
Peak:m/z	Relative Intensity
53.03941	5.8
54.34229	2.5
55.01858	8.7
59.04986	3.2
59.73373	2.7
61.02932	31.7
65.03933	4.9
66.63464	2.4
67.05510	17.6
70.71531	7.1
71.01356	4.1
77.06709	2.3
79.05492	49.1
81.07059	33.2
91.05479	55.3
92.64561	2.3
93.03384	5.0
93.06490	3.9
93.07046	65.8
95.04976	21.5
95.08620	3.8
98.97549	12.6
103.05485	22.0
104.93407	2.7
105.07020	11.4
107.04940	11.1
107.08579	27.4
109.06506	19.3
110.85078	2.7
115.05467	31.0
117.07024	72.0
117.35113	2.6
119.04919	12.3
121.06500	27.6
125.02340	8.5
125.05962	2.7
125.97713	2.2
133.06483	6.9
135.08060	100.0
137.05989	12.9
139.07545	98.0
145.06488	85.3
147.34569	2.7
153.09088	11.8
159.53195	2.7
163.07549	92.9
163.49419	2.7
169.17915	2.8
176.16809	2.5
181.08595	16.3
202.55212	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	181.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48771	1.7
53.03926	5.5
54.50027	1.8
55.01866	7.7
57.03424	1.9
60.72241	1.6
61.02934	31.2
65.03936	2.0
67.05509	16.3
69.03432	3.5
69.52919	13.8
72.77650	1.7
73.02899	2.3
75.40814	2.0
78.52799	1.6
79.05083	2.2
79.05501	39.2
81.03433	3.6
81.07061	36.8
83.01337	4.2
85.02926	3.2
91.05485	56.3
93.03401	5.0
93.07047	55.2
95.04977	21.1
95.08588	3.3
98.97585	21.7
103.05460	16.2
103.36272	1.9
105.04494	2.6
105.07027	12.9
107.04955	10.3
107.08602	30.3
109.06529	24.2
111.04453	1.9
111.08057	3.3
115.05451	23.7
116.98621	7.8
117.07021	64.0
119.04953	15.7
120.05737	2.1
121.06532	28.6
125.02404	9.8
130.45393	2.0
133.06445	4.3
135.08064	96.0
137.05966	10.0
139.07549	90.3
145.06497	79.5
145.07663	3.8
151.87173	2.3
153.09116	11.8
163.07550	100.0
169.13086	1.8
181.08626	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	181.0859
Annotation	10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid
Peak:m/z	Relative Intensity
53.03936	5.0
55.01865	6.4
61.02929	37.5
65.03947	2.4
67.05515	14.6
68.09280	2.1
69.03427	2.2
71.01339	3.5
71.26327	5.1
79.05496	41.8
81.03410	2.9
81.07058	30.8
88.64360	1.9
89.75790	1.7
91.05491	56.8
93.03384	6.0
93.06496	3.7
93.07050	58.9
95.04987	20.7
95.08607	4.1
95.35497	2.1
97.02871	2.5
98.97564	4.2
103.05479	17.9
105.04550	2.3
105.07021	9.0
105.30128	1.9
107.04977	11.2
107.08598	21.8
109.02847	3.6
109.06523	24.0
111.08047	1.9
115.05473	26.0
117.07021	61.8
119.04944	17.3
119.06026	2.5
121.06522	32.7
124.54948	1.8
125.02361	9.7
133.06482	5.2
135.04395	6.7
135.07002	3.7
135.08058	93.4
137.05977	14.6
139.07545	97.5
141.62077	1.8
145.06494	83.2
146.37051	2.0
153.09084	7.5
163.07547	100.0
168.19162	2.0
181.08583	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	181.0496
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.00307	1.7
53.03933	0.5
55.01869	0.7
56.96567	6.4
59.82623	0.6
61.02896	0.6
65.03945	17.1
67.05503	1.3
69.53976	4.1
71.95267	1.3
73.05225	0.5
75.79317	0.5
79.05500	3.4
79.90032	0.5
81.03425	1.4
81.07047	1.6
82.04224	0.7
85.02926	0.6
89.03918	1.5
91.05476	3.1
93.03408	24.3
93.07044	7.4
95.04979	0.5
95.08604	1.1
98.20876	1.2
98.97588	100.0
103.83720	0.6
105.07013	0.8
107.04940	1.2
107.08582	1.8
109.06570	1.1
115.05453	1.0
116.98628	37.9
117.03379	1.3
117.07040	1.7
121.02874	58.6
121.06495	4.9
125.02428	0.9
125.06019	1.1
134.99670	9.8
135.04405	2.4
135.05338	0.5
135.08052	2.5
135.11737	0.6
137.03586	1.1
137.05927	0.8
139.07513	1.4
140.00211	4.2
145.02855	1.8
149.02353	37.6
149.06010	2.1
153.00658	0.7
153.05469	2.1
158.01285	2.5
163.03908	8.4
163.07536	3.9
167.03418	12.3
181.04965	42.2
181.08444	2.9
184.46964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
51.02397	0.4
53.00305	1.8
53.03938	1.0
55.01884	0.7
56.96565	6.3
61.02911	0.8
61.74762	0.5
62.11260	0.4
65.03941	11.1
67.05510	0.7
69.54069	3.1
70.98116	0.5
71.95267	2.0
79.05489	3.4
81.03410	0.9
81.07058	0.9
82.04202	0.4
82.71925	0.4
89.03919	8.1
91.05477	3.0
93.03407	20.3
93.07047	6.0
94.48717	0.4
95.04968	1.6
95.08607	0.6
97.06535	1.0
98.97586	100.0
103.05469	0.6
105.04484	0.6
105.07040	1.2
107.04967	3.3
107.08622	0.9
116.98624	42.1
117.03387	10.9
117.07018	1.6
119.04993	0.9
121.02869	45.4
121.06504	4.2
121.08459	1.3
121.10117	0.6
122.22284	0.5
125.05988	1.2
131.04892	0.6
134.99666	10.2
135.04414	18.7
135.07994	2.5
137.05939	1.1
139.07567	1.6
140.00197	3.4
141.60812	0.5
145.02849	12.2
145.06451	0.6
149.02341	31.5
149.05981	1.8
153.00787	1.1
153.05481	1.7
158.01291	2.8
163.03903	61.4
163.07500	2.4
163.11183	1.1
167.03415	9.0
181.04959	36.3
181.08528	1.4
181.12204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
50.01609	0.4
53.03925	0.4
54.31234	0.4
55.01878	0.9
61.58195	0.4
65.03939	4.9
70.78298	0.7
79.05489	12.1
90.07956	0.3
91.05479	84.6
92.05796	0.4
93.03397	1.3
103.05470	1.8
105.03397	0.6
105.07063	0.8
109.06477	0.5
113.02403	0.8
118.04150	0.8
119.04939	100.0
121.06522	0.4
133.06477	3.7
137.05945	0.5
147.04408	53.4
148.04736	0.7
151.07561	1.3
152.97098	0.4
160.76537	0.4
161.06053	1.0
165.05469	4.7
179.07027	3.6
179.12671	0.4
180.93411	0.4
193.80403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
55.01870	2.8
55.05267	1.5
55.05510	12.9
56.02478	1.0
56.55103	1.2
56.96571	1.3
57.03442	5.6
57.07079	7.3
59.04993	2.8
65.03938	2.2
67.05506	28.9
67.05865	1.0
69.03434	8.4
69.06738	1.7
69.07071	21.3
70.98014	2.6
70.98370	1.3
71.04984	1.9
71.08624	4.8
76.86649	1.3
79.05500	8.2
81.03442	1.7
81.07062	24.2
83.04491	2.1
83.04983	34.2
83.08619	7.8
85.06528	4.2
91.05482	30.1
93.06483	1.6
93.07046	18.8
95.04974	21.4
95.08611	84.7
97.06554	2.2
97.10165	2.8
98.43259	1.2
103.05464	2.2
105.03348	2.8
105.07035	23.6
107.04917	1.9
107.08596	26.9
109.05809	1.6
109.06518	19.0
109.10159	36.3
111.08090	2.9
117.06973	1.4
119.04959	25.1
119.05837	2.2
119.06155	1.1
119.07806	1.9
119.08589	21.8
121.06532	2.8
121.10152	24.4
123.04392	3.1
123.08072	47.4
123.11710	6.8
128.79089	1.2
131.08615	1.7
133.02852	2.0
133.06485	9.1
133.10135	14.6
135.04446	1.5
135.08105	2.1
135.11699	23.9
136.05243	1.4
137.05975	4.6
137.09619	16.2
137.13222	5.7
147.03268	1.4
147.04407	20.3
151.03923	2.2
151.07541	3.5
151.14819	39.1
152.01584	1.4
161.06021	8.0
161.09607	4.5
161.12003	1.9
161.13272	23.6
179.03384	6.5
179.07155	10.7
179.10767	12.6
179.14310	100.0
180.14510	1.4
188.98828	1.1
189.09860	1.2
194.97681	1.1
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	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.52707	0.5
53.03953	0.6
55.01873	2.1
55.05506	0.8
55.55557	0.5
56.96576	0.9
61.60386	0.6
62.26463	0.5
65.03944	5.2
69.03438	1.3
69.58636	3.9
71.39427	0.6
73.02925	0.9
79.05501	12.5
79.24588	0.6
81.03434	0.9
81.07072	1.6
82.01436	5.1
85.02928	0.7
91.05486	84.4
92.05819	0.6
93.03416	1.2
95.04989	1.8
98.20773	1.2
100.02482	10.4
101.00872	2.1
103.05470	1.4
105.03390	1.2
105.07059	2.8
109.06516	0.8
115.00645	1.8
115.02444	2.5
115.05415	0.7
118.03525	3.4
118.04237	1.0
119.01978	4.4
119.04947	100.0
123.04373	0.7
133.01700	4.9
133.03506	7.2
133.06511	5.2
133.10092	0.7
137.02995	1.0
137.05966	1.4
138.04045	1.1
145.03474	0.7
146.03554	0.6
147.04417	53.5
151.07556	1.9
152.66510	0.6
156.01422	0.9
156.03284	2.7
156.05029	3.6
161.02983	1.3
161.05991	2.8
165.05478	5.7
167.05574	1.6
174.02747	0.6
174.06123	1.0
179.03494	2.3
179.07014	4.7
179.10625	1.3
180.06358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00188	2.8
77.53767	0.7
82.01447	2.1
82.99851	3.6
83.23018	0.7
92.58140	0.7
98.93761	0.7
100.02470	3.3
101.00886	50.7
115.02493	3.4
118.03528	0.7
119.01927	100.0
120.02013	1.5
125.85298	0.8
133.01654	1.5
133.03477	8.3
137.01985	1.3
137.02971	16.3
142.03488	1.4
143.01903	2.7
151.04515	1.6
156.03255	1.2
156.05084	6.8
161.02965	38.6
162.03145	1.1
174.06165	1.5
179.04019	37.8
184.04700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	N-Pivaloylaniline
Peak:m/z	Relative Intensity
52.87457	0.3
60.72348	0.3
62.43312	0.3
70.81177	1.0
77.76223	0.3
79.05480	0.4
91.05500	2.0
92.05018	0.4
107.08588	0.6
117.07065	0.8
117.30271	0.3
118.06557	4.7
118.64190	0.3
119.04955	2.1
119.07332	6.4
134.09659	41.7
147.04405	1.3
160.11252	0.4
162.09132	1.4
163.09947	1.0
178.12277	100.0
179.12611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02378	0.8
53.03951	3.7
55.01877	1.1
63.02362	1.6
65.03928	1.8
70.72229	1.4
77.03922	1.0
78.04726	0.8
79.05495	23.8
79.15190	0.7
79.50884	0.8
81.03403	2.1
81.07047	1.6
82.97097	0.7
89.03918	30.7
91.05481	9.0
93.07041	9.9
95.04959	3.4
95.08644	0.9
98.97579	1.7
98.98466	1.7
103.05470	8.8
105.04496	1.5
105.07045	9.2
106.04160	2.9
107.04963	5.5
107.08587	2.0
109.02877	2.2
109.06515	1.9
116.98631	0.8
117.03385	59.2
119.04966	2.0
121.06511	9.6
121.10129	1.3
131.04926	5.7
134.03636	5.9
135.04427	3.7
135.11667	1.2
145.02847	100.0
146.03214	1.0
147.04433	2.0
149.04810	1.8
149.05986	30.6
159.04408	7.2
159.11650	0.9
162.03146	1.3
163.03915	3.0
177.05479	55.7
177.12711	2.1
177.16386	1.4
186.05472	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03936	0.6
56.96566	0.6
63.02376	1.0
65.03935	1.2
67.05511	1.2
69.07073	1.4
69.43662	2.9
69.44082	1.4
78.04710	2.1
79.05492	2.3
81.07047	2.8
83.08633	1.2
89.03918	31.1
91.05487	4.6
93.07034	4.3
95.04976	0.7
95.08620	3.7
98.98465	1.3
103.05468	2.2
105.07024	1.9
106.04178	3.0
107.04984	0.6
107.08588	5.5
109.76018	0.5
117.03381	58.9
117.07004	0.7
119.04923	0.7
119.08544	0.7
121.06513	2.5
121.10141	6.1
131.04924	1.1
131.08510	1.1
133.10162	1.6
134.03621	6.8
135.04382	4.0
135.11688	1.7
140.12253	0.6
145.02844	100.0
146.03224	0.9
147.04353	0.6
149.02318	0.7
149.04782	1.2
149.05981	22.5
159.04387	1.1
159.11729	0.9
162.03123	1.5
163.03891	1.9
177.05469	37.8
177.08911	1.3
177.12767	2.7
177.16411	5.3
186.05487	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02385	1.4
51.70609	1.0
53.03951	9.8
55.01855	1.8
61.58650	1.0
63.02379	1.6
65.03929	2.2
67.68049	1.0
69.07055	1.4
70.86358	2.7
71.01347	3.1
76.91374	1.1
77.03931	2.0
78.04705	1.4
79.05495	8.5
81.03416	2.9
81.07059	5.2
89.03925	29.9
91.05486	28.7
91.59676	1.0
93.07047	41.6
95.04972	9.9
95.08607	1.4
98.97590	4.1
98.98454	3.9
103.05471	15.0
105.04535	3.9
105.07037	24.0
106.04163	2.6
107.04977	5.1
107.08577	3.4
109.06476	1.2
117.03386	65.3
117.07036	1.5
119.04919	1.5
120.18993	1.0
120.53129	1.2
121.02855	1.9
121.06513	50.5
121.10161	4.7
131.04926	7.6
131.08540	1.5
133.06480	2.3
134.03645	7.9
135.04416	3.6
135.11682	1.2
145.02853	100.0
149.02361	1.6
149.05988	76.8
153.32036	1.0
159.04434	7.2
159.11691	1.2
162.03142	3.2
163.03862	1.4
176.50577	1.0
177.05479	87.4
177.08972	2.2
177.12744	3.1
177.16582	1.7
178.05804	1.4
186.05495	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
52.10040	0.8
55.05514	5.7
67.05526	1.7
69.07072	13.5
70.79025	1.6
79.05507	2.0
81.07059	7.2
83.08617	3.8
83.90392	0.7
91.05484	12.4
93.07042	2.6
95.08620	6.3
96.03835	0.8
98.98469	1.1
105.07037	20.6
107.08605	5.7
108.67974	0.8
117.06998	2.0
119.04921	2.0
119.08588	66.5
121.10144	2.5
125.33466	0.8
131.08597	2.9
133.10138	61.5
135.11690	0.8
137.33926	0.8
138.44482	0.7
145.10159	4.1
146.10918	1.4
147.04407	4.7
147.11691	10.9
160.12489	2.9
173.13257	2.0
175.03940	4.1
175.11491	1.9
175.14832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.0
61.86043	0.7
65.03933	2.3
67.05489	2.2
69.03419	0.9
69.07069	19.5
71.44434	1.0
79.05483	2.9
81.07064	7.5
81.40182	0.7
83.04984	1.1
83.08584	3.6
85.02901	1.0
91.05485	22.5
93.07046	4.2
95.01321	1.5
95.08594	6.0
97.02876	1.1
98.98450	3.8
105.07034	25.9
107.08597	4.9
109.10149	1.0
114.80612	0.8
115.05403	1.1
117.07012	2.0
119.04948	5.2
119.08585	79.3
121.10123	1.9
129.03371	0.9
129.06981	0.8
131.08562	4.0
133.10130	65.9
134.10472	0.8
142.07724	1.4
145.10118	4.4
147.04398	14.2
147.11705	10.1
157.10071	0.8
160.12477	3.1
173.13242	3.0
175.03876	6.9
175.07506	2.0
175.11214	4.1
175.14828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05511	6.2
57.07087	1.1
64.22610	0.7
65.03941	2.6
66.62681	0.8
67.05504	2.5
69.03432	1.1
69.07069	17.3
69.52605	0.7
70.79324	1.0
70.79633	0.9
75.15579	0.7
77.03920	0.8
79.05500	3.6
81.07057	15.6
83.08615	2.7
91.05482	30.0
93.07039	4.7
95.04966	0.7
95.08611	9.6
96.11936	0.7
97.02878	1.0
98.98466	3.3
103.05464	0.9
105.07034	30.4
107.08598	7.6
107.56455	0.7
116.33162	0.7
117.07039	2.6
119.04945	8.4
119.08582	79.3
121.10149	2.0
125.04497	0.7
129.46130	0.7
131.04881	0.7
131.08568	5.1
133.10132	100.0
145.10126	5.0
146.10909	2.3
147.04413	16.2
147.11678	9.7
159.11618	0.7
160.12473	3.1
173.13245	2.4
175.03909	9.9
175.07655	1.6
175.11362	2.2
175.14825	95.9
176.15250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	0.8
55.05516	6.8
57.07074	1.2
63.76425	0.7
65.03934	3.0
67.05509	1.3
69.07073	18.6
70.85441	1.9
79.05486	2.3
81.07052	3.9
83.08607	3.0
86.13145	0.7
91.05485	37.6
93.07036	2.6
94.38031	0.7
95.01334	2.0
95.04961	0.7
95.08607	3.6
98.98469	2.0
105.07030	19.4
107.08583	5.6
117.07011	2.1
119.04118	1.0
119.04951	12.0
119.08585	73.9
121.10130	2.5
129.03365	0.8
131.08582	2.4
132.35135	0.7
133.10136	56.8
135.11702	0.8
145.10100	5.2
146.10825	0.9
147.04410	24.7
147.11682	9.2
160.12468	3.5
173.13304	1.9
175.03937	9.6
175.07491	1.0
175.14833	100.0
176.15137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.5
55.05516	3.2
57.07075	0.7
67.05485	0.8
68.80764	0.4
69.06715	0.3
69.07068	9.2
70.06211	2.0
79.05486	2.2
81.07054	7.7
83.08640	1.2
91.05477	11.8
93.07030	2.7
95.08617	5.7
98.77455	0.4
98.98473	1.4
105.06324	0.7
105.07031	15.5
107.08600	3.4
111.34142	0.5
117.07028	1.9
119.04941	2.5
119.08586	41.3
121.10163	1.1
131.08566	2.9
133.10133	100.0
134.10481	0.7
135.11839	0.4
145.10129	2.0
147.04442	4.8
147.11713	6.0
160.12471	2.0
171.24530	0.6
173.13275	0.9
175.03885	2.9
175.07465	0.6
175.14827	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01860	0.3
55.05493	0.4
56.94309	0.5
56.96553	0.4
58.74646	0.3
65.03940	10.2
69.49218	2.2
73.21382	0.4
77.03945	0.4
79.05495	2.9
82.34518	0.3
85.02912	0.6
90.04733	0.4
91.05482	100.0
92.05817	0.5
95.01330	2.8
95.04955	0.5
98.98480	1.4
103.05449	0.5
105.03412	1.3
107.04955	1.3
111.04450	0.5
118.04171	1.3
119.04943	39.6
127.03900	0.4
129.03400	0.6
130.06526	0.9
132.04460	0.7
132.95853	1.4
133.02846	0.4
147.04413	40.0
150.96851	0.5
157.07584	0.4
158.06015	0.5
165.05544	0.3
173.02330	0.5
175.03909	9.5
175.14864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0391
Annotation	Lawsone
Peak:m/z	Relative Intensity
54.20235	0.3
61.85195	0.4
65.03615	0.7
65.03944	10.6
71.31111	0.7
79.05499	3.0
85.22363	0.4
91.05487	100.0
92.05809	0.6
95.01332	1.7
103.05501	0.4
105.03400	1.3
107.04979	1.0
109.06554	0.4
109.61404	0.4
118.04192	1.5
119.04950	44.0
129.03381	0.9
141.28098	0.4
143.29430	0.4
147.04419	42.0
175.03915	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	175.0392
Annotation	Lawsone
Peak:m/z	Relative Intensity
55.53460	0.3
57.10023	0.3
65.03941	10.1
69.75025	1.6
73.85939	0.3
79.05502	3.1
80.18143	0.4
89.03853	0.4
91.05485	100.0
95.01337	1.6
95.05011	0.5
98.20690	0.4
98.98489	1.4
101.34028	0.4
103.05444	0.5
105.03393	0.9
107.04945	1.0
107.87212	0.4
118.04166	1.5
119.04947	41.8
119.08578	0.5
120.05247	0.4
129.03362	1.8
131.04897	0.4
131.59888	0.3
133.10165	0.5
146.28207	0.4
147.04416	49.4
173.02380	0.5
173.11536	0.3
175.03911	13.2
175.14864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04067	0.3
65.03943	11.3
69.33602	3.0
70.08475	0.3
79.05498	3.6
79.88404	0.4
86.82492	0.3
91.05486	100.0
92.05822	0.5
95.01330	1.7
95.04955	0.5
98.98510	0.3
103.05466	0.4
105.03395	1.2
105.66807	0.3
107.04959	1.3
109.06485	0.6
117.03329	0.3
118.04159	1.3
119.04948	41.3
120.05222	0.4
129.03389	1.2
145.74892	0.3
147.04417	38.2
173.02429	1.0
175.03915	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	175.039
Annotation	Lawsone
Peak:m/z	Relative Intensity
51.02375	0.4
59.38482	0.3
61.84738	0.3
65.03937	10.1
65.27777	0.3
66.41461	0.4
69.64722	0.3
72.41565	0.3
77.03883	0.3
79.05489	3.1
81.03386	0.3
89.86449	0.4
91.05478	100.0
92.05789	0.6
95.01305	1.5
95.04974	0.5
98.21692	0.3
98.98434	0.5
103.05497	0.3
105.03381	1.2
106.99959	0.3
107.04962	1.5
109.06538	0.3
112.13370	0.4
118.04172	1.5
118.48941	0.3
119.04939	40.6
124.79314	0.3
129.03374	0.9
132.95851	0.7
142.30006	0.4
145.02849	0.4
147.04407	40.1
164.09657	0.3
168.36008	0.3
173.02350	0.6
175.03908	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	174.0763
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
52.90717	1.0
56.05038	2.0
57.03209	0.9
57.03441	8.9
57.80211	0.9
60.04529	39.8
61.02924	1.1
62.80448	0.9
65.03941	1.7
66.71724	0.9
68.05009	3.9
69.03099	1.0
69.03436	12.4
69.07086	1.2
69.33520	1.0
69.33836	8.3
70.95885	1.6
82.07394	0.9
83.96804	1.0
84.04510	29.4
85.02917	12.9
86.06058	3.0
86.09688	4.0
86.43323	0.8
91.03944	1.1
91.05489	19.7
95.01359	1.5
96.04498	12.7
97.02898	94.7
98.21577	2.2
98.98486	1.6
102.05550	6.8
105.03355	1.1
105.07030	2.3
111.98476	2.6
114.05540	36.9
115.03936	6.2
117.06957	1.0
118.07379	1.1
119.04947	6.6
119.08574	3.5
120.08896	1.4
126.05517	1.3
128.10722	2.4
129.03392	1.0
132.06575	3.3
132.08043	2.0
132.08916	4.9
132.95821	4.6
133.10146	4.1
144.08888	2.2
146.06046	1.7
146.10464	3.4
147.04404	10.2
150.96925	5.3
155.97475	1.7
156.06537	1.6
159.11282	3.9
173.98485	1.8
174.07631	100.0
174.12576	3.3
174.13612	7.8
175.03897	7.7
175.14799	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	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03940	1.4
55.01859	1.3
56.05029	2.4
56.05809	0.9
56.96552	3.0
57.03438	8.5
60.04529	40.2
61.02925	1.1
68.05019	3.1
69.03431	13.0
69.29882	4.8
69.30298	2.3
70.32237	0.9
72.04512	1.6
73.39146	0.8
78.77341	0.8
79.05489	1.1
81.07061	1.2
82.06586	1.2
84.04510	30.6
85.02907	11.7
86.06056	3.2
86.09693	1.2
91.03961	1.0
91.05486	14.5
96.04499	14.9
97.02893	86.6
98.06039	1.1
98.21516	2.1
98.98478	2.9
102.05554	9.3
105.07024	2.2
112.04794	1.5
114.05532	35.6
115.03935	8.3
118.06522	2.0
119.04930	3.8
119.08568	3.5
126.05489	1.1
128.04962	0.9
128.07074	1.2
129.07021	1.2
131.04921	1.8
132.06554	3.5
132.08087	3.0
132.08963	1.7
132.95853	2.6
133.10110	6.7
138.05460	1.2
144.08904	1.4
146.06017	2.2
146.10460	1.8
147.04407	10.3
148.47243	1.0
150.96886	1.3
156.06522	2.7
159.04318	1.3
159.11281	1.2
173.98543	1.1
174.07637	100.0
174.12811	9.5
175.03940	9.8
175.07626	2.6
175.14848	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	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03938	1.4
56.05022	2.1
56.96555	1.2
57.03440	8.4
60.04528	40.6
61.02916	1.5
68.05022	3.2
69.03088	1.1
69.03434	14.2
69.07066	0.9
70.95844	1.3
71.45225	1.5
72.04504	1.7
80.77919	0.7
81.07079	0.8
84.04509	27.6
85.02907	13.3
86.06055	2.8
86.09730	1.0
87.04446	0.7
91.05066	0.6
91.05491	6.3
96.03912	1.0
96.04494	11.4
97.02897	86.9
100.03972	1.0
102.05553	7.3
105.07022	1.9
106.07360	0.8
111.98480	1.1
114.05535	35.1
115.03926	7.1
119.04932	2.5
119.08589	1.4
126.05532	1.8
128.04964	0.7
128.07085	0.9
130.07378	0.8
131.08542	1.5
132.06589	3.3
132.08035	1.2
132.08916	5.8
132.95828	2.8
133.10176	0.9
144.08942	1.5
145.09895	0.7
146.05988	2.0
146.10468	2.6
147.04369	3.6
150.96939	3.4
155.97447	1.2
156.06508	2.0
159.11263	1.8
173.98524	1.0
174.07629	100.0
174.13770	9.5
175.03935	5.5
175.11157	1.0
175.14885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
51.13915	1.8
53.03938	6.0
53.06441	1.9
55.01868	12.5
55.05513	49.7
56.96556	7.4
57.03437	10.0
57.07063	7.9
59.05001	5.7
65.03930	4.8
67.05508	51.3
67.52544	1.8
68.73081	1.8
68.99741	1.7
69.03421	8.9
69.07069	77.2
69.18159	1.8
69.78255	4.5
69.78675	5.6
71.04994	17.7
72.04154	2.6
72.04518	28.1
72.08145	1.7
73.02925	3.3
73.06566	3.7
77.03950	1.6
79.05067	3.1
79.05494	43.6
81.03394	2.6
81.07055	69.0
83.04983	23.1
83.08618	35.7
85.02877	2.1
85.06537	11.4
89.07156	23.8
91.05478	16.8
93.07041	80.0
95.04976	4.1
95.08610	37.5
97.02883	2.1
97.06530	64.3
97.10161	4.4
98.97591	4.7
99.04460	2.2
99.08080	8.8
101.02369	1.8
105.07031	5.6
107.04906	4.5
107.08595	100.0
109.02828	2.3
109.06501	8.2
109.10159	59.8
111.04446	23.1
111.08086	46.1
117.06978	2.9
119.01886	2.5
120.10223	1.6
123.11718	14.4
125.05982	7.0
125.09621	13.7
127.11203	2.1
128.02301	2.4
128.06210	2.8
135.08081	4.9
135.11702	32.5
139.03893	10.3
141.06998	2.2
141.12724	3.5
143.08560	7.8
153.05498	2.5
153.09145	15.7
153.12730	41.7
156.09358	9.5
157.01234	2.3
171.06664	2.8
171.08263	2.6
171.10074	5.8
171.11682	13.2
171.13675	11.5
171.15001	21.4
178.01620	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	171.1018
Annotation	Isoboonein
Peak:m/z	Relative Intensity
53.03948	1.2
55.01867	2.6
55.05511	10.9
56.96569	5.6
57.03443	7.6
57.07081	1.1
64.65736	0.7
65.03951	3.6
67.05511	61.3
69.03437	3.3
69.07077	7.1
69.57205	2.2
69.57611	2.1
70.98125	1.6
71.05002	3.6
72.04529	9.5
72.08159	2.3
73.02930	5.0
73.83643	0.7
79.05501	38.3
81.03410	0.9
81.07064	30.8
82.07368	0.7
83.04987	12.2
83.08634	4.8
84.96084	1.0
85.02926	1.4
85.06523	1.2
86.09710	0.8
87.04453	1.1
89.07164	8.2
90.11749	0.7
91.05487	8.9
93.03422	4.2
93.07061	6.9
95.04977	7.3
95.08611	3.9
97.02899	1.4
97.06536	4.6
97.10192	2.0
97.99172	1.0
98.97581	5.1
99.08124	1.2
105.07035	3.4
107.04962	3.2
107.08603	100.0
109.06523	4.8
109.10162	23.9
110.01291	1.1
111.04453	36.8
111.08070	6.2
112.99153	0.9
116.98633	1.7
117.07027	1.4
119.01871	0.9
119.06079	1.1
121.02879	1.7
125.06020	2.0
125.09641	12.5
127.02319	1.3
127.11228	0.9
128.01291	1.5
128.02301	0.9
128.06178	0.8
134.99698	0.8
135.08075	9.6
135.11688	2.7
137.01837	0.9
139.00140	0.9
139.03928	9.1
141.06985	1.1
143.00200	0.8
143.08591	1.2
147.04454	0.8
153.04318	0.6
153.05504	3.1
153.09114	44.2
153.12776	1.6
156.09372	2.2
171.03027	0.9
171.05457	1.5
171.08015	0.9
171.10188	8.6
171.11736	2.2
171.13861	0.9
171.14992	8.1
192.26012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28850	1.0
51.65984	1.0
53.03936	1.4
55.01855	4.9
55.05500	3.7
56.55090	1.1
56.96563	6.3
57.03422	4.4
58.99861	1.5
60.01377	4.4
61.02910	2.7
62.11201	0.9
67.02146	3.2
68.99775	2.9
69.01908	5.4
69.03415	3.7
69.07037	1.0
70.06589	2.5
70.99844	2.5
71.01339	2.3
71.04983	2.8
71.06420	2.1
71.52148	1.4
72.04515	5.2
72.08131	4.0
72.79871	1.2
73.02908	2.5
75.01897	1.1
75.04463	2.7
76.02688	4.3
79.05471	1.4
81.01891	4.8
81.03407	4.2
81.07041	1.9
82.01447	11.3
82.99834	3.7
83.01407	1.6
83.04952	1.8
83.08591	1.2
84.08137	1.1
84.99255	7.0
85.01431	1.2
85.02891	3.8
85.07645	4.6
85.51907	3.4
86.09687	2.2
87.01857	1.9
87.04468	2.9
89.00832	2.6
89.02388	2.4
89.07139	2.6
90.02409	3.9
90.52895	1.8
91.05478	2.2
92.52669	1.9
94.52432	1.3
95.01643	8.4
95.02517	1.4
95.04960	1.6
97.02876	3.9
98.01273	1.5
98.97585	5.6
99.04433	1.8
100.00826	3.7
100.02470	12.3
100.05221	1.7
101.00196	2.1
101.00878	40.7
101.01557	1.6
101.02538	2.2
101.53210	2.7
102.00949	3.2
102.02247	1.2
103.00664	2.3
103.01344	3.0
103.02445	1.7
104.02134	5.0
105.51624	4.4
106.52363	1.2
109.01365	100.0
109.51453	13.8
109.52941	5.0
110.01281	2.3
110.02131	4.7
110.02882	1.2
110.07162	1.7
110.97565	2.5
111.04436	2.0
111.60289	1.1
112.52432	1.9
112.53817	1.6
113.00870	4.8
114.04019	5.0
114.52169	5.3
115.02448	6.6
115.03946	1.2
115.52991	1.5
116.02096	8.6
116.98617	2.0
117.01875	3.6
118.01881	51.8
118.03522	2.7
118.51968	5.9
119.01919	40.1
119.02666	3.1
119.04887	1.7
120.01953	2.3
120.11462	1.0
120.52152	14.1
120.53970	2.9
121.01502	1.2
121.02270	1.4
121.04160	2.1
121.52938	31.7
121.54306	1.7
122.03056	7.1
122.04068	3.3
123.52683	1.4
124.01795	1.6
125.02659	13.9
125.05962	2.2
125.07124	1.1
125.52617	1.0
127.02416	2.0
128.02284	3.2
128.98566	1.6
129.01837	2.2
129.03058	1.5
129.03987	1.6
129.52672	5.2
129.54474	3.4
130.00417	1.4
130.01926	1.7
130.53435	19.1
131.01894	6.6
131.03529	2.7
133.01625	1.3
133.03477	12.4
134.03542	1.2
135.06378	1.1
137.02934	2.7
138.53233	2.7
138.54951	5.3
139.00302	8.1
139.02408	1.5
139.04021	1.1
139.05060	1.8
139.54878	1.5
141.02728	1.4
141.86705	1.0
142.03458	4.1
143.01915	2.0
143.03470	2.9
144.03203	1.3
145.03458	4.1
147.01392	2.1
147.03177	2.8
147.05090	2.6
147.55508	2.8
147.96617	1.4
148.01465	3.3
153.07428	1.4
154.03445	3.2
155.01901	1.4
156.99857	1.6
157.01245	1.5
157.03439	2.7
160.04701	4.8
161.02948	4.5
171.01379	4.2
171.03015	4.0
171.05019	1.9
171.07625	3.7
171.11261	14.4
171.14882	4.6
175.00877	4.6
175.04518	2.7
189.02441	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	168.0658
Annotation	Isopyridoxal
Peak:m/z	Relative Intensity
51.83023	0.3
53.03950	0.5
55.01868	0.5
56.96568	2.5
57.03429	0.9
57.50232	0.3
58.99877	0.4
59.45916	0.3
61.02906	0.9
65.03918	0.7
67.05504	4.0
67.92502	1.2
69.03419	1.8
69.07039	0.5
69.79951	1.5
69.80318	0.6
70.98111	0.8
71.66814	0.3
73.02912	0.5
74.06095	0.3
77.00849	0.4
79.05463	0.8
81.03437	0.7
82.01457	0.8
82.94849	2.9
82.99804	0.3
83.04960	0.7
84.01196	0.3
84.99605	1.1
85.02913	0.8
85.99924	0.5
86.71039	0.3
94.06572	12.0
94.54232	0.6
95.04962	0.6
96.04494	0.4
97.01414	0.6
97.02883	0.9
97.99220	0.4
98.20764	0.6
98.97585	2.8
99.04427	0.4
100.02499	1.6
101.00886	1.5
102.00974	0.6
103.00640	9.8
103.01276	0.5
103.98338	0.5
104.00928	3.0
104.04974	0.4
106.06555	4.5
107.04909	0.4
109.01378	0.4
109.02892	1.2
111.04437	0.5
112.01054	0.5
112.07605	0.7
113.00898	0.7
113.55003	0.4
115.02437	1.3
115.54749	1.8
116.98620	1.0
117.00231	1.0
117.01910	0.7
118.00990	1.6
118.03461	0.4
119.01918	2.2
119.03815	0.4
120.01969	0.6
121.01672	16.7
121.02344	0.8
121.54762	1.2
121.99377	0.8
122.01973	7.5
122.06039	9.2
122.54638	0.7
122.55518	0.4
123.97459	1.3
126.00746	2.2
126.02186	0.5
126.93719	0.6
126.97079	0.5
127.01546	1.6
127.02469	3.7
128.02386	0.4
129.01855	0.7
130.55278	0.4
131.01888	1.6
132.00681	0.3
133.01550	0.5
133.03447	1.2
138.53915	0.3
139.02710	2.6
140.00389	0.5
140.03075	1.4
142.03500	0.6
143.01955	0.8
144.03242	8.7
144.04991	0.4
144.94821	1.1
144.98117	0.5
144.99876	0.5
145.00925	0.7
145.03554	21.4
147.01328	0.4
150.05507	100.0
151.05833	1.0
156.05048	0.7
157.03340	0.3
158.06630	0.6
161.02980	0.4
162.04344	1.5
162.95863	1.3
163.02701	0.5
163.04611	3.4
166.04773	0.4
168.05106	3.2
168.06573	7.7
168.10213	0.4
170.06657	0.4
175.04419	0.3
185.97531	0.4
186.02966	0.4
187.04541	0.4
188.07658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.02377	1.9
53.03951	5.7
55.01864	3.8
55.05280	1.1
55.05515	16.6
56.96563	6.0
57.03429	4.1
57.07071	5.8
59.05002	5.4
59.05247	1.3
65.03938	3.4
66.04679	1.2
67.05509	30.5
68.05840	1.5
69.03156	1.1
69.03436	14.4
69.06733	1.9
69.07073	22.4
71.04604	1.7
71.04999	34.1
71.55012	1.1
71.55453	1.6
72.08143	2.4
73.06559	13.2
74.56503	1.1
77.03886	1.4
78.04710	10.4
79.05496	51.2
81.03404	4.2
81.07059	49.4
83.04992	10.5
83.08617	8.4
84.96027	6.7
85.02926	2.0
85.06536	4.8
87.08115	1.4
91.05481	24.2
93.03394	2.4
93.07047	84.3
94.04190	1.2
95.04974	11.2
95.08614	92.2
96.05772	1.6
97.02900	19.6
97.06528	13.5
97.10177	1.4
98.97556	1.0
99.02799	1.9
103.00649	7.4
103.05465	3.2
105.03397	1.8
105.04509	2.3
105.07043	12.4
106.04187	6.7
107.04967	16.6
107.08599	64.2
108.05730	3.1
109.02875	3.0
109.06538	13.3
109.10165	26.4
111.04461	7.1
111.08092	8.7
111.80401	1.2
116.06121	1.1
119.06110	1.3
119.08551	2.2
120.02054	1.5
121.01673	23.8
121.02901	2.1
121.05689	1.8
121.06515	14.2
121.08445	2.3
121.10146	49.6
123.04450	19.5
123.08039	6.8
123.11716	6.9
124.05238	14.8
125.06000	6.4
125.09624	5.3
126.02127	1.7
128.97878	2.2
131.08565	8.1
133.07654	1.1
135.04408	3.7
138.03099	1.2
139.02724	4.9
139.07553	26.2
139.11206	5.5
143.03525	1.3
144.03239	23.7
149.02354	21.5
149.04868	1.8
149.05984	5.1
149.07076	1.7
149.09628	12.1
149.13272	31.2
151.03902	5.1
152.04694	5.2
162.04291	5.5
167.03389	4.6
167.07045	100.0
167.10664	16.6
167.14323	16.2
168.06453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03941	4.7
55.01855	4.6
55.05515	98.1
57.03436	3.5
57.07063	5.1
59.05012	10.7
65.03938	2.8
67.05509	20.2
69.03090	2.6
69.03433	33.7
69.07071	15.3
69.57330	1.5
70.78221	4.2
71.04980	6.8
78.04710	2.2
79.05498	28.9
81.03399	1.5
81.07059	29.6
83.04987	100.0
83.08163	2.8
83.08625	46.5
83.09125	2.3
84.96033	1.5
85.06532	9.1
91.05483	10.7
93.03437	2.2
93.07043	32.1
95.04971	6.3
95.08607	21.6
97.02892	22.3
97.06542	9.0
97.10172	16.5
99.08075	3.8
103.00622	3.9
103.05440	2.6
105.07027	11.6
107.04952	6.0
107.08594	29.9
109.06488	4.5
109.10161	29.2
111.04449	3.8
111.07309	1.7
111.08084	33.9
112.08868	8.8
113.09647	3.0
119.08575	3.4
121.01640	6.5
121.06503	7.1
121.10146	37.3
123.04417	4.1
123.08055	5.9
123.11717	13.4
124.05237	2.7
125.05989	4.5
125.09636	18.7
131.08537	4.1
135.04460	3.2
139.03955	1.6
139.07523	11.8
139.11179	2.8
144.03256	7.0
149.02325	3.0
149.06017	3.8
149.09613	10.2
149.13268	11.0
162.04340	1.7
167.03339	2.2
167.07031	15.9
167.08307	2.9
167.10681	12.1
167.14323	62.1
174.83344	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
55.01874	5.5
55.05514	21.5
56.04508	1.9
56.96549	3.0
57.03425	6.8
57.07071	8.4
59.04986	4.0
59.08713	1.9
67.05511	31.7
67.29473	2.1
69.03423	8.2
69.07078	20.0
69.99898	2.2
71.04607	2.6
71.04993	37.8
73.06564	15.1
78.04704	4.5
78.42090	2.6
79.05503	46.2
81.06602	4.2
81.07063	67.2
83.04966	8.9
83.08604	8.8
84.96027	2.5
85.02894	2.5
85.06544	8.3
91.05492	20.7
93.07049	85.6
95.04970	10.8
95.08613	100.0
97.02903	2.4
97.06544	10.4
97.10139	2.9
103.00629	7.9
103.05433	3.0
105.07021	14.2
107.04972	13.9
107.08598	69.3
108.05734	3.6
109.06540	13.4
109.10152	26.3
111.04430	5.2
111.08075	13.2
119.08590	3.6
121.01699	19.5
121.06534	15.9
121.08425	2.8
121.10150	76.0
122.06090	2.9
123.04430	7.9
123.08060	3.4
123.11697	12.8
124.05235	11.6
125.05980	7.0
125.09631	3.0
131.08563	6.6
139.02734	3.4
139.07549	27.9
139.11153	9.0
144.03226	12.6
149.02335	9.5
149.05988	7.6
149.09639	17.5
149.13263	38.1
152.14194	2.5
162.04338	3.5
167.03444	4.8
167.05653	4.2
167.07047	57.0
167.08450	4.7
167.10670	22.7
167.14294	17.8
184.25180	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02375	0.8
53.03953	3.5
55.01873	4.2
55.05508	7.1
56.96558	2.1
57.03431	2.6
57.07065	1.0
59.04992	2.3
65.03950	3.6
67.05505	17.4
69.03419	3.9
69.07075	10.5
69.91853	3.2
71.04997	5.9
75.04485	2.4
77.03902	0.8
78.04711	2.9
79.05494	44.4
81.03450	0.9
81.07052	21.2
83.04989	7.4
83.08611	2.2
84.96023	2.3
85.02917	1.8
85.06542	2.1
87.04482	1.3
91.00768	0.6
91.05480	24.5
93.03400	1.7
93.07043	93.0
94.04198	0.7
95.04982	5.0
95.08611	40.9
96.05746	1.0
97.02923	1.5
97.06528	5.8
97.10174	0.8
97.89014	0.7
98.21429	0.9
102.10396	0.7
103.00640	3.3
103.01246	0.8
103.05476	1.8
105.03394	2.4
105.04534	1.7
105.07032	22.3
106.07818	1.1
107.04964	8.2
107.08595	70.2
108.05715	1.1
109.02881	1.1
109.06533	5.6
109.10165	6.8
111.04453	2.8
111.08091	12.7
111.11743	1.6
116.06229	0.9
119.06032	1.1
119.08586	2.7
121.01667	7.2
121.02912	1.3
121.06517	6.2
121.10146	100.0
123.04459	4.4
123.08075	12.1
123.11704	5.7
124.05196	4.0
125.05999	7.3
125.09647	4.8
131.08574	20.6
133.07600	1.7
135.04431	1.2
139.02710	2.0
139.07538	9.0
139.11179	9.6
144.03232	6.4
149.02362	2.7
149.06003	1.7
149.09624	39.6
149.13237	3.4
162.04303	1.5
167.03368	2.1
167.07040	25.9
167.08356	1.1
167.10677	32.4
167.14275	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	167.1067
Annotation	(-)-Isochaminic acid
Peak:m/z	Relative Intensity
53.03939	5.6
55.01879	8.6
55.05272	3.3
55.05513	38.2
56.96571	2.2
57.03437	4.3
57.07075	5.4
59.04997	5.4
64.95369	1.8
65.03941	2.0
67.05508	30.8
69.03429	52.3
69.07064	16.6
69.30497	16.0
71.04987	6.6
78.04729	2.1
79.05498	72.0
80.44444	1.6
81.03385	2.1
81.07057	38.0
83.04980	42.6
83.08619	14.6
83.15988	1.7
85.02850	2.1
85.06532	3.4
90.28225	1.8
91.05475	35.4
93.07045	93.1
95.04966	8.0
95.08612	31.8
97.02895	100.0
97.06526	15.6
97.10168	5.8
98.21593	3.2
102.99825	1.7
103.00616	3.8
103.05479	2.7
105.07032	39.3
106.04227	2.3
107.04962	13.0
107.08595	71.2
109.06546	8.9
109.10151	12.6
111.04467	9.0
111.08072	12.2
112.08835	3.3
119.08570	9.3
121.01674	8.6
121.02912	2.5
121.06532	25.9
121.10145	80.6
123.04417	9.4
123.08052	16.0
123.11692	6.8
124.05200	5.5
125.06020	8.4
125.09638	7.9
131.08569	35.2
137.09631	10.3
139.07545	14.2
139.11179	5.5
144.03239	9.9
149.02367	3.1
149.05968	5.8
149.08420	3.6
149.09625	74.8
149.13269	3.5
167.03397	2.4
167.07034	32.1
167.10669	54.2
167.14320	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	166.0862
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
71.09283	0.4
75.75130	0.2
79.05476	1.1
91.05469	0.4
92.38170	0.2
93.07046	2.0
103.05460	8.5
107.04951	2.0
118.06512	0.2
120.08098	100.0
121.06499	0.2
121.08413	0.8
124.52934	0.2
131.04915	2.5
149.05980	0.8
159.35385	0.2
166.08629	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
50.46309	0.3
53.03945	4.6
55.01880	2.0
55.05500	0.7
57.93763	0.4
63.54818	0.4
65.03936	0.4
67.05495	1.0
68.99796	0.4
69.03424	1.5
69.07059	0.4
71.04950	0.5
71.43417	0.3
77.03918	1.5
79.05499	8.2
81.03436	1.8
81.06592	0.7
81.07060	11.8
83.04979	0.5
91.04910	0.8
91.05482	15.9
93.03397	0.4
93.07047	16.1
95.04971	5.1
95.08606	1.8
97.06536	0.8
103.00633	2.3
103.05467	5.8
105.03387	0.5
105.04524	2.4
105.07031	1.8
107.04958	1.5
107.08602	3.0
109.06532	3.1
121.01672	4.8
121.06509	100.0
121.10158	1.8
122.06854	0.9
123.04437	0.5
123.08080	0.8
124.05236	1.4
125.05991	1.1
128.75615	0.4
131.08531	1.9
139.02711	0.8
139.07530	4.4
144.03241	4.1
149.02370	1.0
149.05991	42.3
149.09651	1.3
150.06378	0.4
152.04733	0.9
162.04321	0.9
167.03404	0.8
167.07050	14.9
167.10654	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03951	9.0
53.91135	1.4
55.01881	10.0
55.05506	12.3
57.03205	1.5
57.03437	21.1
57.07061	4.0
59.04984	2.2
61.02932	11.6
65.03942	8.3
67.05507	24.9
69.03429	64.6
69.07072	7.2
69.74886	5.5
69.75299	2.9
71.05000	7.6
73.02924	6.7
77.03928	2.0
79.05494	21.6
81.03407	10.2
81.06604	1.8
81.07062	36.2
82.63605	1.4
82.99831	2.5
83.04981	23.7
83.08634	2.3
85.02908	21.5
91.03944	3.7
91.05482	100.0
92.05800	1.6
93.03374	2.0
93.07042	26.8
95.04971	49.9
95.08613	23.1
97.02909	1.6
99.04458	12.1
100.02504	1.4
101.00878	21.5
101.02584	1.5
103.03937	4.7
103.05462	19.1
105.03384	2.6
105.04527	3.9
105.06509	1.4
105.07046	15.8
107.04939	6.9
107.08598	39.8
108.08894	1.5
109.05815	2.4
109.06524	34.5
109.10133	6.3
111.04469	9.4
117.07040	2.1
119.01920	46.2
119.02724	2.9
119.04942	85.9
119.08588	33.8
121.06499	4.4
121.10124	9.1
123.04420	7.2
123.08070	35.1
123.11713	27.2
124.02448	5.3
129.05498	7.9
129.06941	1.9
131.39529	1.7
132.05733	4.0
135.04451	2.2
137.02939	4.9
137.05977	14.5
137.09612	6.4
137.13249	5.1
142.03502	44.9
147.04420	61.3
147.06326	9.9
147.08047	16.7
147.11697	11.4
150.10371	1.5
160.04628	8.0
165.05495	29.2
165.07571	9.8
165.09120	13.7
165.12761	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03945	3.5
55.01880	2.8
55.05515	8.0
56.96564	1.1
57.03439	15.6
57.07059	1.8
59.04995	1.0
61.02648	0.8
61.02930	10.0
65.03918	2.0
67.05506	8.4
69.03432	72.0
69.07076	7.9
71.04999	5.6
71.05350	0.9
71.06994	1.1
73.02928	3.8
74.54932	0.6
75.04454	0.9
77.41349	0.6
79.05486	4.8
80.19440	0.6
81.03421	22.3
81.07058	12.5
82.99837	1.3
83.04984	20.1
83.08625	0.7
85.02906	21.7
85.06540	0.8
87.04458	2.1
91.03954	2.5
91.05482	14.5
93.07062	4.3
95.04965	9.3
95.08611	11.9
95.81096	0.6
97.06528	0.9
99.04462	10.6
100.02494	1.6
101.00883	16.2
101.02579	2.6
103.03966	3.2
103.05453	1.0
105.07032	7.7
107.04951	0.8
107.08594	5.9
109.06521	12.8
109.10173	3.9
110.07318	1.1
111.04459	9.3
111.08038	1.1
117.05512	1.2
117.07021	0.6
119.01926	34.5
119.03603	1.6
119.04943	20.9
119.08591	7.6
121.06536	1.0
121.10133	6.7
122.07266	1.0
123.04431	1.8
123.08070	15.4
123.11704	7.7
124.02433	3.5
129.05486	6.2
133.06471	0.8
135.11688	0.7
137.02983	7.4
137.05981	2.8
137.09619	15.8
137.13245	2.7
142.03505	33.5
142.96758	0.7
143.03622	0.9
147.04419	46.5
147.06482	3.9
147.11700	5.7
148.04758	0.8
155.36275	0.7
160.04565	8.4
165.05518	6.2
165.07568	7.7
165.09113	3.7
165.12755	100.0
166.13106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.32808	1.0
51.02363	1.3
53.03942	7.1
55.01868	8.4
55.05511	13.0
55.42998	1.1
57.03440	24.1
57.07062	4.8
58.38184	1.2
59.04987	3.5
61.02928	15.2
65.03944	9.5
67.05505	26.5
68.99770	1.4
69.03429	81.3
69.07044	6.7
70.48640	1.1
71.05003	8.0
71.55505	1.2
73.02924	6.9
75.04478	1.7
77.03916	1.6
79.05492	24.9
81.03413	12.5
81.07053	35.8
82.99833	3.1
83.04982	24.8
83.08600	2.9
85.02905	35.0
87.04453	3.8
91.03936	4.7
91.05481	100.0
92.05830	2.0
93.03401	2.0
93.06480	2.1
93.07041	27.4
95.04966	50.7
95.08606	23.8
99.04448	18.1
100.02504	1.5
101.00877	23.9
101.02593	1.2
103.03944	5.3
103.05473	16.5
105.03384	2.3
105.04494	3.5
105.07042	20.1
107.04942	6.9
107.08595	43.8
108.05768	1.2
109.06512	32.4
109.10166	6.1
110.07267	1.7
110.33780	1.1
111.04436	13.1
117.07055	2.9
119.01921	40.7
119.04939	82.6
119.08582	35.1
121.06508	4.2
121.10135	11.8
123.04430	8.1
123.08063	34.1
123.11703	27.5
124.02441	6.6
127.07550	1.4
129.05489	9.5
129.06956	1.6
132.05669	2.5
135.04373	1.5
137.02991	6.5
137.05975	14.6
137.09601	6.8
137.12326	2.1
137.13206	5.8
142.03497	45.1
143.03709	1.2
147.04407	63.3
147.06499	9.1
147.08022	18.5
147.11707	13.5
160.04541	8.0
165.05473	35.1
165.07581	9.4
165.09109	12.7
165.12749	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.076
Annotation	Quinovose
Peak:m/z	Relative Intensity
50.67977	0.7
53.03933	2.4
55.01858	3.4
55.05513	9.5
57.03439	26.1
59.04993	1.0
61.02929	19.8
65.03928	1.4
67.05493	1.9
67.07364	0.8
69.03433	100.0
69.66446	4.0
70.03757	1.2
71.04995	9.4
73.02917	5.6
79.05498	1.5
79.86796	0.7
81.03422	11.7
82.01431	1.7
82.99843	10.6
83.04987	32.4
83.51667	0.9
85.02910	39.9
87.04465	3.9
91.03946	4.4
91.05504	4.9
95.04963	3.0
98.20695	0.8
99.03852	1.1
99.04461	17.7
101.00887	66.6
101.36562	0.7
102.00938	1.0
102.66212	0.7
103.03957	7.1
108.66421	0.9
111.04449	18.1
117.05494	2.4
119.01926	96.4
119.04918	5.2
120.02015	2.3
123.04456	5.7
124.02454	17.2
129.05492	12.2
137.01971	1.3
137.02962	14.1
137.05905	0.9
142.03505	98.9
143.03618	0.9
147.04405	5.9
147.06523	11.5
160.04576	15.1
165.05229	2.8
165.07579	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	165.076
Annotation	beta-L-rhamnofuranose
Peak:m/z	Relative Intensity
53.03943	2.0
55.01867	3.7
55.05512	8.3
57.03440	26.4
59.05011	1.6
61.02929	22.5
61.03193	0.5
65.03939	1.4
67.05510	1.0
69.03432	100.0
70.94704	1.4
71.01337	1.2
71.04995	9.0
73.02922	7.3
75.04478	1.5
79.05520	0.9
81.03420	10.2
82.01456	2.2
82.99850	6.3
83.01524	0.8
83.04985	30.5
85.02908	40.7
87.04468	4.1
91.03954	4.1
91.05488	1.8
99.04457	19.8
100.02518	1.7
100.94106	0.6
101.00885	52.9
101.02602	2.5
102.00978	1.0
103.03935	5.6
111.04450	17.0
113.78387	0.6
117.05519	2.2
119.01926	66.0
119.04957	1.6
120.01981	0.9
123.04446	1.0
124.02447	12.2
129.05478	13.2
137.02956	7.9
142.03506	72.2
143.03712	1.0
147.04428	1.4
147.06528	11.3
160.04565	11.3
165.05330	2.7
165.07588	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	165.0548
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
53.03943	1.6
53.95382	0.6
54.28032	0.6
55.01872	1.7
55.05514	3.5
56.03082	0.7
57.03435	7.4
61.02930	5.9
65.03933	6.6
67.05511	8.8
69.03431	30.2
69.66813	2.6
69.67217	1.4
71.01353	1.9
71.04983	2.1
73.02930	1.8
79.05499	42.8
81.03420	3.0
81.07060	10.3
83.04987	8.6
85.02910	12.8
87.04476	1.6
91.05484	100.0
93.03395	0.9
93.07038	1.3
95.04974	7.8
99.04461	5.7
103.03954	1.6
103.05515	0.8
105.03390	1.0
105.04505	0.9
107.04987	2.0
109.06522	4.7
111.04462	5.6
111.83135	0.7
113.53455	0.7
119.01957	1.3
119.04946	82.7
119.08589	1.1
123.04453	0.8
129.05490	3.8
135.04439	1.7
137.05995	4.9
142.03517	1.6
147.04416	65.5
147.06544	4.3
165.05487	36.0
165.07664	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	165.0549
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
52.78282	0.7
53.03947	2.6
55.01866	2.4
55.05514	6.0
56.53730	0.6
56.96563	5.3
57.01726	0.8
57.03440	15.3
59.04994	1.2
61.02928	8.8
64.59814	0.7
65.03935	7.5
67.05505	18.9
69.03431	51.0
70.76945	1.1
70.77268	1.5
70.98125	7.3
71.01353	3.1
71.05009	4.8
71.98483	1.1
73.02908	3.0
77.03955	0.9
79.05500	12.6
81.03428	5.6
81.07067	7.8
82.01437	1.4
82.99864	2.9
83.04983	15.9
84.71740	0.7
85.02908	21.0
87.04475	1.3
88.99155	2.6
91.03963	2.7
91.05484	100.0
92.05817	1.8
93.07035	1.9
94.04211	0.7
94.93222	0.7
95.04971	14.4
95.08613	1.0
98.21469	0.8
99.04457	9.6
100.02493	2.0
101.00887	22.0
103.03941	2.8
105.04504	1.0
105.07043	1.7
107.04944	5.2
107.08552	1.0
109.02898	1.0
109.06524	5.2
109.10172	2.7
111.04452	9.3
115.53748	0.8
117.01902	0.8
117.05490	1.3
118.03427	1.1
118.04198	0.8
119.01050	1.6
119.01929	39.1
119.04946	86.1
119.08563	5.7
120.05273	2.5
122.07217	0.7
123.04419	5.9
123.08125	1.0
124.02466	4.8
127.52480	1.4
129.05510	6.6
131.01793	1.1
135.04445	2.6
136.02863	0.8
136.53020	2.5
137.02994	7.7
137.05994	7.8
137.09616	3.5
139.49963	0.8
142.03505	42.0
147.04419	84.2
147.06512	5.1
147.08041	2.5
147.11676	0.8
148.04720	4.8
160.04553	6.7
165.05487	19.5
165.07620	8.5
165.09148	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	165.0548
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
50.67310	0.8
51.02383	0.8
53.03934	3.4
55.01858	4.3
55.05508	11.2
55.88196	0.8
57.03440	27.4
61.02652	1.3
61.02932	18.8
65.03942	5.9
67.05238	0.7
67.05513	9.4
69.03432	96.4
71.01347	1.8
71.04997	9.0
71.06149	1.5
73.02925	7.2
75.04471	1.2
77.62006	0.8
79.05495	34.1
81.03410	10.0
81.07066	10.5
82.99860	1.7
83.04984	29.0
85.02905	39.6
87.04448	3.5
91.03974	5.9
91.05485	100.0
93.03385	1.0
93.07051	3.0
94.04210	0.9
95.04452	1.0
95.04986	8.9
99.04460	18.8
101.00890	17.3
101.05993	1.5
103.03955	6.3
103.05458	1.2
105.03391	1.4
105.04506	0.9
107.04954	3.2
109.06526	6.7
111.04440	18.3
117.05466	2.3
119.01932	36.7
119.04945	72.1
119.08576	2.6
123.04433	4.8
124.02411	4.0
129.05478	13.2
134.39899	0.8
135.04439	1.8
137.02966	6.2
137.05954	6.5
137.09583	0.9
142.03503	32.6
147.04417	68.0
147.06354	10.2
150.03293	1.0
151.93190	0.8
160.04575	6.6
165.05482	32.5
165.07593	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	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62215	0.7
67.09176	0.7
70.19421	2.1
70.19841	1.3
82.01418	0.9
82.99845	7.2
100.02483	1.6
101.00887	60.8
119.01926	85.9
124.01617	1.4
124.02464	16.1
137.02956	11.5
138.70512	0.7
142.03503	100.0
143.03653	1.1
150.50584	0.6
160.04558	14.4
165.05103	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14812	0.5
55.05499	0.7
57.03447	1.0
61.02941	0.8
62.19003	0.7
66.08846	0.6
69.03442	4.7
69.52656	3.2
69.53059	1.2
71.04993	0.7
82.01459	1.1
82.99851	7.6
83.04999	1.4
83.45618	0.6
85.02922	1.9
100.02481	0.8
101.00889	57.7
111.00450	0.9
111.04446	1.0
119.01930	87.0
120.02032	1.0
124.02462	14.2
136.11014	0.5
137.02965	10.3
142.03506	100.0
143.03694	0.8
160.04559	14.4
160.05801	1.0
165.05165	1.2
165.07573	0.6
179.83347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03952	3.2
55.01860	0.8
55.05512	4.4
57.07065	1.8
61.65225	0.7
65.03934	1.4
67.05499	2.9
69.03410	0.8
69.07072	17.4
69.31126	2.0
69.31539	4.0
77.03931	1.0
79.05492	18.7
80.41086	0.6
81.07056	19.6
83.08630	4.5
89.03923	10.1
91.05479	13.2
93.07047	35.3
95.04986	3.5
95.08604	17.2
98.22015	0.6
103.05473	3.3
105.04498	1.0
105.07042	6.1
107.04970	7.5
107.08595	100.0
108.08866	1.1
109.06525	1.6
109.10155	1.3
115.05485	0.8
117.03384	8.3
117.07025	2.5
119.06078	0.9
119.08595	2.2
121.02842	1.1
121.06566	1.1
121.10145	34.2
122.10934	0.7
130.07774	0.7
131.04976	3.5
133.02840	2.9
135.04428	22.0
135.08038	2.2
135.11685	16.5
145.02847	7.3
145.06473	1.6
145.10135	1.8
163.03909	31.4
163.07523	3.7
163.11162	5.3
163.14824	48.4
164.07108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
55.05518	2.0
57.03441	7.0
58.78937	0.7
61.02928	4.5
62.09844	0.8
69.03433	23.7
70.26580	1.5
70.26990	1.5
71.04990	1.9
73.02926	1.4
81.03423	3.2
82.01443	1.9
82.99841	10.6
83.00301	0.9
83.04991	8.1
85.02908	11.5
86.75674	0.8
87.04494	1.0
91.03957	1.7
91.05473	1.1
99.04439	4.2
100.02495	2.3
101.00890	74.9
101.02569	2.2
103.03959	1.5
107.75987	0.9
111.04456	4.5
119.01929	94.7
123.04427	1.2
124.02462	16.8
129.05478	2.6
137.02971	12.7
142.03508	100.0
147.04408	0.9
147.06569	2.6
160.04576	13.6
165.05246	2.2
165.07573	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02371	0.8
53.03942	3.2
55.01884	4.1
55.05515	3.4
56.96558	3.0
57.03428	3.0
57.07061	1.5
61.02922	0.8
63.02374	1.6
65.03934	1.5
67.05514	5.7
69.03440	5.1
69.07072	3.4
71.04976	1.0
71.55616	0.9
73.02940	0.9
77.03922	0.9
79.05499	20.4
81.03403	1.6
81.07059	5.2
81.39126	0.8
82.01427	1.6
83.04994	1.2
85.02917	1.0
89.03921	29.2
91.05486	11.0
93.07043	16.1
94.51572	1.1
95.04980	5.3
95.08611	6.0
98.97575	2.4
99.52606	0.7
100.02481	2.9
103.05470	19.7
105.03453	1.1
105.04525	1.5
105.07033	8.8
107.04300	1.3
107.04961	13.7
107.08604	17.9
109.06472	1.3
115.05460	3.2
116.98598	0.7
117.03387	28.4
117.07005	10.5
118.03604	1.0
119.01814	2.2
119.04897	1.0
119.08589	5.5
121.06516	7.3
121.10163	6.6
128.02342	1.1
128.98671	0.8
130.06506	1.3
130.07808	4.2
131.04930	22.1
131.05844	1.4
132.02119	1.0
132.08069	1.1
133.02870	3.9
133.10130	1.8
135.04424	50.7
135.08047	6.3
135.11697	9.5
145.02852	23.4
145.03923	1.1
145.06464	4.7
145.10127	15.4
151.58180	0.7
158.57834	0.7
163.03912	100.0
163.07535	11.7
163.11183	28.2
163.12349	1.5
163.14839	3.8
164.04184	1.4
164.07101	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	(+)-2,3-Dihydro-6-methyl-3-methylene-2-benzofuranol
Peak:m/z	Relative Intensity
50.55878	1.8
53.03919	5.9
55.01865	4.9
67.05499	2.6
69.59707	9.8
69.60123	3.6
79.05070	2.8
79.05491	39.2
80.43555	1.9
89.03915	44.5
91.05481	42.9
93.07046	30.7
95.04947	8.0
103.05474	16.8
105.07016	10.5
107.04950	22.9
107.08598	20.8
115.05453	44.0
117.02626	3.3
117.03378	42.8
117.07009	77.2
119.04929	5.7
119.06031	2.2
119.08575	2.5
121.06493	8.0
131.04893	4.2
133.06520	3.0
135.04414	77.3
135.07138	2.6
135.08044	52.5
136.00160	2.0
145.02847	34.2
145.03935	2.2
145.06483	100.0
163.03897	87.8
163.07545	74.9
174.50162	1.9
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	(+)-2,3-Dihydro-6-methyl-3-methylene-2-benzofuranol
Peak:m/z	Relative Intensity
52.64075	1.5
53.03934	1.8
55.01862	5.9
66.02091	1.3
67.05499	4.7
68.31298	1.4
70.84785	3.3
74.13938	1.4
79.05497	24.3
86.29813	1.5
89.03915	1.9
91.05486	40.6
93.07052	26.0
95.04957	2.4
95.08633	1.8
103.05467	11.9
105.07045	11.4
107.04947	12.4
107.08595	18.2
109.06522	3.1
115.05454	38.7
117.03374	2.8
117.07022	71.4
117.58900	1.3
119.04932	5.8
119.06042	2.5
120.05758	1.4
121.06475	8.0
133.06496	3.0
135.04436	5.4
135.07011	1.9
135.08058	48.8
145.06493	100.0
146.98853	1.5
162.93515	1.7
163.03932	6.1
163.07552	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03952	2.7
55.01865	0.5
55.05511	5.1
65.03942	0.6
66.89269	0.4
67.05506	2.5
69.07065	4.7
69.40141	3.1
77.03909	1.1
79.05489	15.8
81.07054	6.0
82.97510	0.4
91.05479	10.8
93.07037	6.3
95.04986	2.2
95.08618	0.9
98.21492	0.7
101.56066	0.4
103.05469	9.9
104.06230	0.5
104.82237	0.4
105.07030	100.0
106.07290	0.7
107.08576	2.1
115.05457	2.1
117.07014	2.3
118.04149	1.1
119.08578	39.6
120.09360	0.4
121.10134	0.6
128.06250	0.7
131.08577	3.3
132.09317	0.5
132.49315	0.4
133.06493	17.1
133.10129	20.5
143.08582	0.7
146.07298	0.5
146.10893	1.0
159.11670	1.9
161.04642	0.7
161.05984	11.0
161.07266	0.8
161.09596	3.7
161.13257	33.2
162.13673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23924	0.6
53.03952	2.0
55.01868	0.8
55.05513	5.5
67.05506	3.5
69.07072	4.3
69.49812	3.9
77.03945	1.2
79.05494	17.3
81.07063	7.9
83.08614	0.9
91.05479	13.3
93.07044	6.2
95.04945	1.6
95.08613	1.5
103.05479	10.0
105.07034	100.0
107.05067	0.9
107.08591	2.3
115.05492	1.8
117.07023	3.4
118.04176	2.9
118.06542	0.9
119.08589	50.7
121.10147	2.0
131.08537	3.7
132.09406	0.9
133.06505	22.5
133.10133	25.1
143.08559	1.0
146.10942	2.0
159.11710	2.3
161.05984	9.0
161.09599	4.3
161.13255	42.7
162.05562	0.9
176.09859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
56.96562	0.5
58.83580	0.2
59.75254	0.2
67.05495	0.3
69.03082	0.4
69.03429	5.1
79.05486	0.9
88.02238	0.2
91.05489	2.6
93.07030	1.0
95.04965	0.3
102.04648	0.3
103.05449	0.7
105.03369	0.3
105.07030	12.6
115.05455	0.5
116.05754	0.4
117.07005	0.8
118.04163	0.6
119.04900	0.3
119.08582	2.2
121.06505	0.7
128.06203	3.6
129.03368	3.5
131.04919	1.2
131.08551	1.1
132.05708	0.8
133.06509	2.9
133.10126	5.0
143.08556	6.6
145.06493	2.7
146.03645	0.4
146.07259	3.3
146.27408	0.2
159.08063	3.8
161.06026	3.5
161.09610	100.0
162.09959	1.0
171.89850	0.2
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
53.03951	0.8
53.73833	0.4
55.05516	6.3
69.07072	2.3
70.58509	0.9
70.58839	0.5
78.29048	0.4
79.05497	3.0
81.07071	0.9
91.05487	6.2
93.07071	1.3
103.05473	2.4
103.29160	0.4
104.06272	0.7
105.07038	20.5
107.08601	1.2
107.74242	0.4
115.05452	0.8
117.07043	1.7
118.04193	1.4
119.08586	100.0
120.08952	0.8
121.10156	2.0
131.08560	1.2
133.06509	5.0
133.10141	15.2
146.10912	0.8
159.11711	1.0
161.05984	1.8
161.09610	2.1
161.13268	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	161.0599
Annotation	1,4-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02372	0.4
53.03938	0.4
55.01872	0.3
61.03920	0.3
66.04724	1.9
66.35005	0.3
69.21055	3.0
77.03944	0.4
79.05496	3.1
89.03887	0.8
90.04709	4.3
91.05489	3.1
95.04960	0.3
102.04691	6.5
103.05476	10.2
105.03418	0.3
105.07042	2.6
109.94083	0.3
112.78613	0.3
115.05472	4.3
118.04169	31.5
126.56343	0.3
129.03386	5.4
131.04991	0.5
133.06502	100.0
134.06905	0.8
146.03624	0.7
161.06007	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	161.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15943	0.5
53.03962	0.4
55.01872	0.7
55.05520	1.0
56.05016	0.4
56.96562	0.6
57.03428	1.3
58.99870	0.8
60.04535	0.5
60.08158	1.1
60.30421	0.5
61.02935	0.8
61.08512	0.6
66.04726	2.3
67.05491	1.0
68.02670	0.6
69.03439	1.5
70.99863	1.2
71.02988	2.1
71.54089	0.5
72.08160	2.1
73.02927	0.7
74.06065	0.6
78.52956	1.6
79.05502	3.6
81.03389	0.5
82.01453	1.6
82.99850	3.7
83.04973	1.0
84.04522	1.6
84.08148	4.1
84.52973	0.7
85.01405	0.6
85.02922	1.4
86.52718	0.7
87.04497	0.8
88.02711	0.6
89.00877	0.6
89.03977	0.6
90.04710	4.5
91.05482	5.3
95.04987	0.7
97.01364	0.5
97.02858	0.5
98.01999	0.5
98.06957	0.5
100.02486	4.0
101.00892	26.3
101.02395	0.8
101.06030	1.2
102.00967	0.9
102.02261	0.5
102.04687	7.5
102.06319	1.0
103.00608	0.5
103.02448	1.4
103.05475	11.2
104.52241	1.5
105.02104	0.9
105.03404	0.8
105.07041	5.8
106.07368	0.5
106.52415	0.9
107.05270	2.6
107.52372	0.5
107.55329	0.5
109.51423	0.7
110.01286	0.8
110.02149	0.6
111.02914	0.5
111.04456	1.4
113.00861	1.4
113.02393	1.1
113.52718	0.5
114.02533	0.6
115.02441	1.0
115.03996	0.5
115.05456	4.7
115.52940	0.5
116.05737	2.8
116.07091	0.9
116.55903	1.0
118.04173	34.8
118.31528	0.4
119.01926	41.3
120.02039	1.3
121.01630	0.5
121.03487	0.9
127.56532	1.0
129.01849	1.2
129.03297	4.1
129.04778	1.1
130.08638	0.8
131.01884	1.3
133.03516	1.8
133.06499	100.0
134.06819	1.0
134.09575	0.5
135.44548	0.4
137.02956	6.5
137.52415	1.2
142.03517	1.7
143.01912	17.1
143.03619	1.1
146.03595	1.2
147.01392	0.9
147.05051	0.5
153.83960	0.5
157.03482	0.5
161.02969	17.8
161.05981	5.6
161.13763	2.9
162.03159	0.5
179.04005	1.7
180.52864	0.4
184.04669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72264	0.2
60.19365	0.2
70.79682	0.5
79.07545	0.2
81.47268	0.2
82.99848	4.5
83.04967	0.2
83.99931	0.3
85.01398	0.3
91.00444	0.2
101.00886	46.7
102.00945	2.2
103.02480	0.3
107.05264	0.9
107.05957	0.2
107.55292	0.3
111.00446	0.4
111.04454	0.6
116.05777	1.6
116.55849	0.4
119.01926	100.0
120.02013	2.9
121.01625	0.2
124.02459	0.3
125.02534	0.4
127.56642	0.2
129.04724	0.3
137.02960	18.3
138.03064	0.5
142.03537	1.5
143.01875	0.6
143.03635	4.7
161.02972	6.8
161.04637	0.9
179.04010	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	161.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01873	0.5
65.03927	0.6
66.04722	2.7
70.97762	0.9
77.03912	0.4
79.05495	4.2
87.21635	0.3
89.03915	0.5
90.04707	5.5
91.05486	3.9
91.79146	0.3
92.02606	0.4
95.04995	0.6
98.14603	0.3
102.04691	6.4
103.05477	10.3
105.03394	0.6
105.07033	4.5
115.05455	5.8
118.04165	34.5
119.01924	0.4
129.03372	3.9
131.04948	0.7
133.06496	100.0
134.06831	0.6
146.03642	0.5
161.05986	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	160.1333
Annotation	Ethyl leucinate
Peak:m/z	Relative Intensity
51.29872	0.5
53.03950	0.8
53.04243	0.5
55.05514	26.5
57.03427	1.0
57.04547	2.4
58.06605	0.7
59.05005	6.1
60.08168	41.3
69.03423	1.1
69.30630	3.9
69.31040	1.3
70.06606	3.7
71.40720	0.5
72.08146	0.9
74.06068	1.2
74.07203	0.7
82.01442	0.9
83.04987	16.3
84.08115	0.5
85.02935	0.7
86.06068	2.6
87.04469	5.9
96.08134	1.3
97.02869	0.9
97.50685	0.5
100.02511	1.1
100.07600	1.0
101.00907	3.7
101.06023	58.2
104.07082	2.6
109.03111	0.5
114.09167	1.9
116.04744	0.9
119.01927	6.5
124.02507	0.6
125.07111	0.9
133.03516	0.9
137.02985	1.1
142.03476	3.3
143.01932	1.1
160.04604	0.8
160.09673	3.1
160.10844	8.3
160.13339	100.0
161.02957	1.3
179.03807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.5
56.04787	0.5
56.05023	2.7
56.96565	9.3
57.03433	4.0
60.04526	16.3
67.05499	2.3
69.07063	4.9
69.47419	3.6
70.06596	6.2
71.04980	0.8
71.95279	2.7
72.04514	0.6
74.06075	3.9
76.93404	0.4
79.05494	2.7
81.07056	23.1
84.04498	0.8
84.08134	1.6
86.09714	5.6
89.03922	1.4
98.06045	1.4
98.09696	29.4
98.97585	100.0
99.08089	15.3
100.07629	0.5
102.09188	1.1
103.05402	0.7
109.10135	0.7
110.05954	0.5
112.07613	4.6
115.02312	0.7
116.07104	1.5
116.10735	5.0
116.97240	1.9
116.98622	52.9
117.03374	1.1
119.02830	0.5
124.02841	0.8
128.10698	6.0
130.06508	1.3
134.99658	21.0
140.00182	2.1
140.07040	1.5
140.10718	1.5
140.14374	3.9
141.01799	1.1
149.05992	0.5
153.00719	1.6
158.01299	1.3
158.06029	1.7
158.08136	2.9
158.09660	5.8
158.11772	19.5
158.15404	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.60271	0.6
55.05492	0.6
56.96562	5.6
63.94282	0.6
65.03955	0.8
67.05502	3.5
69.03424	1.5
71.04997	1.1
71.55330	0.8
76.92899	1.4
76.93359	5.0
79.05472	1.7
81.07088	1.4
83.78217	0.6
85.02897	1.2
91.05489	13.2
93.07043	1.3
94.94400	0.8
95.01326	0.9
95.02589	1.4
97.02895	0.6
98.09682	0.8
98.97610	2.9
99.04469	0.7
99.09986	1.2
100.02509	0.8
103.05450	1.8
105.07035	14.1
113.02370	3.6
113.07981	0.6
114.42708	0.6
115.02327	0.6
115.05466	3.9
116.06239	1.2
116.98586	2.1
117.07019	24.7
117.95987	6.2
119.08583	7.1
123.00788	1.0
126.55307	1.0
128.06273	0.9
129.06999	13.6
130.07791	13.0
131.04950	2.1
131.08568	65.7
132.08925	0.8
134.99675	0.7
135.55797	1.0
135.97028	1.8
141.01825	10.9
141.14626	1.1
142.07776	1.6
143.08470	1.5
144.09340	17.0
157.10115	3.7
158.98596	0.8
159.02898	0.8
159.04408	1.5
159.08099	2.1
159.11693	100.0
159.15736	9.0
160.12010	1.6
164.04362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
53.08920	1.3
63.49591	1.6
65.78014	1.4
66.60197	1.4
74.09722	16.0
77.31503	1.5
96.83021	1.4
96.96938	3.4
97.12978	1.3
97.13693	1.6
98.09666	5.1
100.02439	1.5
101.01017	1.3
110.07173	6.6
112.05244	8.7
118.05069	1.4
130.06294	15.1
156.04211	100.0
156.13873	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03934	3.2
53.37934	1.0
55.01870	2.1
55.05513	9.5
56.96561	5.4
57.03419	2.9
59.04993	2.5
59.77797	1.1
65.03622	1.7
65.03944	27.5
67.05509	14.4
69.03426	7.5
69.07070	13.7
69.53062	7.5
70.94254	8.7
70.95860	3.3
71.04984	3.3
73.06583	1.3
79.05492	21.3
81.03402	1.7
81.07058	23.5
83.04990	11.0
83.08619	3.2
88.95297	2.4
89.00753	1.9
91.05474	12.6
93.03407	23.8
93.07045	75.8
93.87080	1.1
95.04966	13.8
95.08609	56.6
96.01595	1.2
97.06540	22.0
98.01298	2.0
98.21526	1.2
98.97566	1.6
105.04516	1.2
105.07024	5.4
107.01791	2.2
107.04963	7.6
107.08597	100.0
109.06510	9.7
109.10160	22.4
110.01283	1.4
110.03690	5.6
111.04442	43.4
111.08086	5.9
111.52271	1.5
111.96883	6.1
117.07000	1.3
119.06073	1.4
119.08572	1.8
120.52859	1.0
121.02850	2.4
121.06497	1.3
124.00953	1.1
125.02318	1.5
125.05997	29.6
125.09637	3.6
129.53282	2.6
129.97964	2.6
134.06010	1.3
135.04411	3.9
135.06451	1.3
135.08058	6.6
135.11696	42.8
135.12727	2.2
139.34537	1.0
153.01831	4.0
153.05492	15.4
153.06628	2.1
153.09137	8.9
153.10219	1.5
153.12738	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03933	2.4
55.01886	1.7
55.05515	7.3
56.96550	2.8
57.03424	3.1
57.07056	1.1
59.04982	2.9
61.50441	0.8
65.03623	1.5
65.03941	17.8
67.05506	15.0
69.03420	4.2
69.07072	11.2
69.33959	5.2
69.34373	1.3
70.94260	4.2
70.95859	1.7
71.04970	3.4
71.94090	0.8
71.95242	0.9
73.06572	1.0
75.56384	0.8
79.05492	22.3
81.03410	3.2
81.07055	19.6
83.01346	1.5
83.04979	9.2
83.08614	4.2
88.95287	1.1
91.05482	13.0
91.67980	0.9
93.03409	16.5
93.07044	76.2
95.04460	1.2
95.04975	11.7
95.08609	49.5
96.08912	0.8
97.02879	1.0
97.05930	1.2
97.06534	15.4
98.01284	0.9
98.51459	1.0
104.01296	1.3
105.07044	4.4
107.04958	5.6
107.08594	100.0
107.90591	0.7
109.06532	4.9
109.10158	18.0
110.03658	2.8
111.04440	27.9
111.08086	7.9
111.96886	5.3
117.06989	0.9
119.08565	1.3
121.02831	1.4
121.06489	2.3
123.08016	1.2
125.05996	22.4
125.09624	3.3
129.53252	1.2
129.97925	2.7
135.04391	4.6
135.05330	0.7
135.08057	12.2
135.11697	42.0
138.03047	0.8
153.01848	2.1
153.04361	1.3
153.05490	12.8
153.06610	1.7
153.09126	12.9
153.10213	1.6
153.12741	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	153.1275
Annotation	Junionone
Peak:m/z	Relative Intensity
53.03935	2.3
55.01869	1.2
55.05517	7.9
56.96564	3.2
57.03432	2.0
57.07051	1.2
59.05010	1.5
63.03202	0.5
65.03946	9.7
67.05509	9.9
69.03423	3.0
69.07074	12.9
70.94255	4.1
70.95853	2.4
71.04992	1.8
71.07704	0.9
71.08034	1.0
71.94101	1.0
71.95260	0.9
77.03885	0.6
79.05497	13.8
79.37794	0.6
81.03422	1.0
81.07062	15.9
83.04990	5.9
83.08610	3.3
88.95314	1.3
89.00787	0.7
91.05479	6.4
92.58763	0.6
93.03413	6.9
93.07048	26.3
94.04177	0.6
95.04980	5.8
95.08611	33.9
97.02919	0.8
97.06528	6.6
98.01329	0.6
98.97557	0.9
105.04506	0.7
105.07034	2.3
107.01807	0.9
107.04969	6.0
107.08601	27.3
109.06525	4.8
109.10162	13.7
110.03640	1.3
111.04439	10.5
111.08089	3.8
111.11724	1.3
111.96889	3.3
111.98537	0.7
118.56699	0.5
121.02873	100.0
121.06496	1.6
122.03202	1.0
123.08081	0.7
123.11754	1.1
125.06001	7.4
125.09600	2.4
129.97914	1.8
135.04436	3.8
135.08029	3.1
135.11693	14.8
153.01952	1.4
153.05482	11.8
153.06480	0.5
153.09102	5.3
153.12761	15.1
157.86859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(+)-cis-p-Mentha-1(7),8-dien-2-ol
Peak:m/z	Relative Intensity
51.02364	1.6
53.03946	8.4
53.57859	1.8
53.87891	1.6
55.01868	5.3
55.05513	95.2
56.96553	6.5
57.03426	7.5
57.07065	6.2
59.04990	6.6
65.03948	16.7
67.05506	35.8
69.03435	8.9
69.07072	79.0
69.53202	9.6
69.77091	1.8
70.94263	10.6
70.95868	4.6
71.05000	15.1
71.71280	1.6
73.06544	4.9
79.05497	50.8
81.03418	2.1
81.07060	72.5
83.04988	35.2
83.08620	20.9
85.02898	2.5
85.06550	2.5
88.95302	1.8
91.05492	24.9
93.03403	19.2
93.07050	100.0
95.04989	16.5
95.08615	47.8
97.06542	50.3
98.97600	3.9
104.91117	2.0
105.04491	3.3
105.07051	12.7
107.01797	2.2
107.04968	13.8
107.08603	93.4
109.06513	18.7
109.10164	54.2
110.03670	3.7
111.04448	29.3
111.08092	15.0
111.11736	2.5
111.96879	9.2
117.07022	1.7
119.06088	1.7
119.08600	3.9
121.02852	10.6
121.06494	5.2
123.11684	2.9
125.06013	25.2
125.09640	5.9
129.03120	2.2
129.97917	2.6
135.04417	27.2
135.08066	14.3
135.11691	42.2
152.57558	1.7
153.01872	2.7
153.05484	14.7
153.07388	2.0
153.09158	13.1
153.12750	85.8
165.05469	4.0
167.27034	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03939	4.7
55.01880	2.7
55.05510	19.3
55.17959	1.5
56.96568	9.2
57.03436	5.7
59.05001	8.8
65.03945	17.3
67.05508	28.5
69.03441	8.0
69.07069	46.5
69.34882	10.6
69.35312	2.3
70.88091	1.4
70.94257	6.8
70.95855	5.1
71.01389	3.1
71.04996	22.4
73.06559	11.2
79.05493	50.0
81.03401	2.7
81.07059	88.8
83.04990	14.1
83.08624	6.7
84.61295	1.5
85.06557	2.8
88.95318	2.8
89.00777	1.8
91.05486	30.3
93.03409	18.1
93.07047	100.0
94.02296	1.5
95.04974	21.7
95.08608	38.3
96.01517	1.8
97.06540	16.3
98.01285	2.7
98.97561	3.0
102.18185	1.7
105.04521	2.3
105.07053	7.8
107.04974	10.5
107.08594	94.8
109.06512	13.3
109.09459	3.2
109.10153	28.5
109.10920	1.7
110.03654	7.3
111.03727	2.0
111.04453	28.0
111.08073	11.5
111.11726	6.2
111.96869	8.0
115.05428	2.3
117.07001	5.4
118.00983	1.6
119.06046	1.8
119.08568	5.5
120.02533	1.7
120.52707	3.1
121.02922	2.3
121.06495	2.3
121.53918	1.4
123.08072	1.8
123.11722	2.2
125.05986	28.1
125.09637	5.2
129.97876	1.9
131.90671	1.8
135.04465	7.5
135.08084	12.9
135.11693	44.1
136.04010	1.8
148.97311	1.8
149.68259	1.8
153.01830	6.4
153.05490	17.3
153.09128	17.3
153.12753	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03952	2.7
55.01871	2.2
55.05511	7.8
56.96556	2.2
57.03431	2.7
57.07065	1.7
59.04986	2.5
65.03620	1.2
65.03942	17.1
67.05502	14.7
69.03416	3.5
69.07071	14.7
70.94254	3.7
70.95856	1.1
71.04985	4.4
71.55621	1.0
73.06554	2.0
74.43880	1.0
79.05498	18.3
81.03417	1.7
81.07059	23.4
83.04968	6.6
83.08608	3.7
91.05467	11.7
93.03408	16.0
93.07043	76.6
95.04964	11.8
95.08607	71.4
97.06532	16.0
105.04501	1.4
105.07013	2.5
107.04942	6.4
107.08593	100.0
108.08932	2.1
109.06522	11.3
109.09462	1.8
109.10161	19.7
110.03654	1.8
111.04446	22.3
111.08080	6.4
111.96865	2.6
117.64104	1.1
121.02895	2.0
121.06494	3.2
125.05987	17.3
125.09619	2.0
135.04384	4.7
135.05336	1.2
135.08052	5.3
135.11697	42.9
153.01729	1.4
153.05450	11.9
153.09128	4.3
153.12749	27.1
153.13931	2.3
154.04936	1.5
158.99802	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13363	0.1
53.03942	0.4
54.80208	0.2
55.01865	0.4
55.05275	0.2
55.05514	2.8
56.96561	0.5
57.03424	0.6
65.03940	2.6
67.05505	4.0
69.03423	0.7
69.07069	3.3
69.80004	0.7
70.94260	0.8
70.95867	0.2
71.04990	0.6
72.74171	0.1
77.59159	0.1
79.05489	2.7
81.03415	0.2
81.07053	2.3
83.04983	2.4
83.08624	0.4
91.05482	1.6
93.03412	1.4
93.07047	4.6
93.07636	0.3
95.04970	100.0
95.08605	1.3
96.05309	0.9
97.02842	0.2
97.06513	1.3
97.64997	0.2
105.07024	0.4
107.04982	1.4
107.08603	3.1
109.06524	1.9
109.10184	0.9
111.04457	1.9
111.08078	3.2
111.96880	0.3
117.07018	0.4
121.02835	0.2
121.06493	1.7
125.06000	1.4
125.09622	0.5
129.97926	0.4
135.04437	1.5
135.08075	1.4
135.11713	0.7
153.01822	0.3
153.04379	0.2
153.05444	1.1
153.09125	3.1
153.10190	0.1
153.12718	1.4
154.04991	0.2
154.08627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.00309	1.5
55.01876	32.2
55.05515	13.8
56.96568	2.3
57.03441	8.3
59.05006	29.6
63.70323	1.5
65.03943	15.8
67.05508	22.3
69.03438	17.6
69.07076	17.4
70.69604	3.2
70.69978	3.1
70.94255	3.2
70.95876	2.5
71.05011	3.8
79.05498	56.4
81.03426	2.4
81.07056	23.7
83.04983	16.4
83.08625	3.6
91.05485	39.7
93.03405	10.2
93.07045	33.5
95.04975	16.4
95.08612	22.8
97.02895	2.1
97.06524	9.6
105.07044	24.5
107.04961	15.5
107.08600	100.0
108.05762	4.3
109.06522	17.6
109.10165	9.0
110.99438	1.7
111.04445	31.5
111.08099	19.8
111.96902	4.1
115.05458	5.2
117.07014	9.9
119.06089	3.8
121.02870	2.6
123.08071	51.4
125.05979	11.1
125.09637	43.6
129.53299	2.8
133.07613	8.2
135.04427	4.7
135.08063	87.4
135.11696	7.2
153.05478	9.6
153.09119	44.8
153.10326	2.6
153.12744	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	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03947	3.7
55.01870	5.1
55.05507	6.4
57.03434	2.2
59.05002	13.4
63.46606	2.5
65.03947	13.8
67.05508	56.3
69.03439	5.4
69.07050	3.4
70.98961	2.0
70.99306	5.4
77.03909	2.1
79.05495	56.6
80.58470	2.0
81.07063	38.9
83.01345	9.0
83.04980	9.7
83.08622	2.6
85.02905	7.6
91.05492	27.9
93.03408	22.1
93.07049	100.0
93.07642	4.8
95.04971	73.6
95.08611	2.8
97.06548	4.7
105.07066	10.8
107.04957	8.2
107.08600	50.2
109.06532	22.7
110.03674	4.9
111.04460	20.8
111.08087	8.7
115.05457	4.3
117.07024	17.6
119.06019	2.5
121.02904	4.3
121.06506	4.8
125.06001	14.8
128.67769	2.2
135.04420	6.4
135.08063	81.9
153.01859	2.2
153.05502	10.8
153.09119	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03941	5.9
54.80278	1.0
55.01865	3.6
55.05497	4.8
55.15958	1.0
56.96546	1.5
57.03426	1.6
59.04989	4.7
62.83926	0.9
65.03619	1.5
65.03942	22.2
67.05506	25.6
69.03422	3.0
69.07052	3.0
69.50450	1.3
70.78892	1.2
70.79221	2.3
70.98113	1.0
73.35767	1.1
77.03897	1.1
79.05494	26.6
81.03431	1.9
81.07051	20.9
81.39494	1.1
83.01328	3.0
83.04964	6.5
85.02890	3.6
86.79185	1.0
91.05481	24.9
92.75163	1.2
93.03400	26.9
93.07043	100.0
95.04968	32.0
95.08604	4.6
97.06531	6.4
105.07030	4.2
107.04967	9.7
107.08590	29.0
109.06521	12.9
109.10148	3.7
110.03720	2.4
111.04443	26.7
111.08073	6.4
115.05416	1.6
117.07001	5.6
121.02850	4.0
121.06506	26.9
125.06000	14.8
125.09608	4.9
135.04428	7.2
135.08052	31.8
135.11693	2.5
136.07521	2.2
153.05487	12.9
153.06567	1.9
153.09103	37.5
153.10345	2.2
153.12735	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
52.28661	0.5
52.61005	0.6
55.01870	1.0
55.05502	2.1
56.96549	0.8
57.07074	1.7
59.04989	1.2
65.03932	0.8
65.36938	0.6
65.72078	0.5
67.05512	7.6
68.95293	1.1
69.03434	2.1
69.07072	2.2
69.33795	4.9
69.34113	1.3
79.05490	4.0
81.03433	0.8
81.07062	16.4
89.00779	0.5
89.06030	0.6
89.46608	0.7
91.05492	5.7
93.07050	4.9
95.04972	3.9
95.08620	9.2
97.06555	1.0
98.20817	1.3
98.47134	0.8
98.97574	1.3
100.37898	0.5
105.07040	9.5
107.01746	0.6
107.04975	1.1
107.08598	5.7
107.47651	1.4
109.06521	11.4
109.10163	13.2
110.01245	0.7
110.97612	0.5
119.01826	1.6
119.04955	0.7
121.06498	0.6
121.10167	1.8
123.04431	0.7
123.08083	5.1
123.11735	5.0
128.02290	1.3
133.06528	0.6
133.10141	4.5
136.08807	2.2
151.03964	3.4
151.04950	0.8
151.07709	3.6
151.11189	100.0
151.14835	2.0
152.11580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03943	2.6
55.01866	5.1
55.05508	9.3
56.96565	18.9
57.03427	7.0
58.99718	1.5
61.02919	3.7
65.03940	3.4
67.05502	57.8
68.05022	2.8
68.95287	5.0
69.03426	11.4
69.07063	3.7
71.04996	2.4
71.56264	1.4
73.02917	5.7
79.05490	34.2
81.03419	6.6
81.07055	62.1
83.00771	3.3
83.04981	17.1
85.02934	3.5
85.06511	2.3
87.00971	1.6
89.00755	4.5
89.06024	3.0
90.01579	1.8
91.05478	56.0
92.01281	1.7
93.07039	42.3
95.04979	15.3
95.08599	22.0
96.01555	5.1
96.04494	1.7
97.02876	3.0
97.06513	2.6
97.99160	1.9
98.01284	8.8
98.47121	3.2
98.97587	15.6
100.51556	2.4
101.00747	4.8
101.52303	2.2
105.07031	80.1
106.97683	1.8
107.01800	5.3
107.04961	2.1
107.08591	100.0
107.47636	4.7
107.52312	1.7
108.86393	1.7
109.06513	17.9
109.07653	4.1
109.10153	42.7
109.52071	3.9
110.01269	14.7
110.07149	5.3
110.51482	1.8
110.97577	3.9
111.02098	2.4
111.07946	24.5
113.01802	1.5
116.48190	3.2
116.98595	6.2
118.98454	2.0
119.01806	15.8
119.05014	1.7
120.02589	6.2
121.02833	2.0
121.52112	3.6
123.04408	4.2
123.08065	11.3
123.08916	1.5
123.09190	1.2
123.11705	10.1
124.08738	3.1
125.81657	1.6
127.98927	1.8
128.02307	10.9
128.98608	3.7
129.03094	4.7
130.52577	6.2
131.08607	4.1
133.02864	2.1
133.06531	2.1
133.10127	76.3
134.10486	1.9
134.99756	1.8
139.53104	5.2
140.00180	1.9
140.98752	1.8
142.03479	1.7
146.99504	1.6
151.02829	2.7
151.03909	9.4
151.05069	3.8
151.07602	13.3
151.09792	21.4
151.11180	83.2
152.06999	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	151.0755
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
53.03941	1.1
55.01879	0.6
55.05513	2.0
56.96564	1.7
57.03426	0.4
57.07089	0.3
61.02916	0.4
65.03934	1.0
66.04698	0.2
67.05508	5.3
68.95287	1.3
69.03414	0.8
70.05801	1.0
70.98108	0.4
71.01355	2.4
71.05011	0.4
79.05494	7.6
81.03415	1.0
81.07056	100.0
82.07402	0.3
83.04986	0.5
85.02869	0.3
89.06014	0.4
91.05482	6.7
93.03401	0.3
93.07043	3.7
95.04967	4.0
95.08595	4.9
96.01559	0.3
97.02884	0.4
98.01305	0.6
98.47104	0.5
98.97588	0.9
100.02451	0.4
101.00779	0.4
103.05478	0.6
105.03432	0.6
105.04487	0.4
105.06316	0.4
105.07030	7.9
107.04977	0.7
107.08591	3.4
107.47647	0.9
108.01441	0.5
108.02121	0.4
108.05715	0.5
109.02871	0.8
109.06514	4.2
109.10149	2.6
110.01287	0.5
115.05402	0.2
116.01271	0.3
116.48132	1.2
117.02061	0.7
118.04198	0.5
119.01846	1.3
119.03532	0.3
119.04951	2.6
120.02617	0.3
121.06504	0.7
121.10107	0.5
123.04409	0.8
123.08069	3.5
123.11702	2.0
128.02312	1.0
128.98624	0.3
129.03102	0.6
133.02818	0.4
133.06482	1.2
133.10138	1.8
137.02853	0.3
141.05498	0.4
151.02863	0.4
151.03949	5.1
151.05046	0.9
151.07549	11.5
151.09984	0.6
151.11171	8.8
151.12384	0.5
154.90639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03936	3.0
55.01862	1.7
55.05515	6.6
56.96566	1.7
59.19094	1.1
65.03617	2.1
65.03943	30.3
65.54937	1.1
67.05487	2.2
67.16748	1.3
69.07069	8.3
79.05495	16.4
81.07047	13.1
91.05481	17.8
93.03416	7.4
93.07043	42.6
95.04995	3.0
95.08606	2.9
103.05466	3.1
105.07023	4.3
107.08598	30.9
108.04509	1.6
109.06509	1.7
111.04427	5.8
121.02867	38.3
121.03970	12.9
121.06514	4.4
121.10152	13.0
131.04916	2.9
131.08615	2.2
149.02348	100.0
149.05980	6.8
149.09610	5.7
149.13263	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	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03950	2.1
55.01870	0.9
56.96552	1.0
59.05006	4.8
65.03933	4.3
65.78893	0.6
67.05511	6.3
69.03445	0.8
69.07068	0.7
69.77473	2.1
69.77888	0.8
73.40463	0.6
79.05497	5.8
81.03421	1.7
81.07067	10.8
83.04995	0.6
91.05487	100.0
93.06169	0.9
93.07054	7.0
95.01319	0.6
95.04967	7.5
95.07703	1.1
95.08616	12.3
98.61832	0.6
98.97559	0.7
103.05450	1.1
105.03436	1.1
105.04578	0.9
105.07030	9.9
107.04967	1.2
107.08607	3.7
108.05746	1.1
109.06520	10.9
109.10175	2.0
110.01272	0.7
118.04179	4.1
119.04950	61.7
120.40730	0.5
121.06525	4.5
123.04447	5.5
123.08070	8.3
123.11707	1.4
133.02872	1.7
133.06525	1.6
133.10173	1.5
149.02309	1.0
151.03961	8.1
151.07561	20.4
151.08495	0.8
151.11160	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03943	4.9
55.01865	2.2
55.05504	4.2
57.07062	3.7
64.41866	1.3
65.03937	20.3
67.05485	1.7
69.07050	4.8
71.56095	1.5
79.05489	11.1
81.07044	2.4
89.03893	1.9
91.05488	22.4
93.03400	4.2
93.06489	2.0
93.07044	26.3
95.04927	2.8
103.05474	2.8
105.07032	32.5
107.05011	1.5
107.08598	33.9
108.04523	1.6
109.06558	1.7
109.84739	1.3
111.04439	2.8
117.03332	1.3
119.08586	10.1
121.02866	27.2
121.03981	8.1
121.06508	6.3
121.10144	100.0
122.10487	1.9
123.08074	4.2
127.29359	1.3
128.99840	1.5
131.04933	2.0
131.08615	2.3
133.07616	4.1
133.10091	2.8
134.11017	2.3
144.05197	1.5
145.99597	1.6
149.02347	73.4
149.05997	9.3
149.09630	18.4
149.13252	23.5
169.03426	2.4
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	Hormodirene
Peak:m/z	Relative Intensity
53.03944	5.2
55.05504	7.1
65.03948	27.2
67.05184	2.7
67.05511	31.6
69.07069	11.3
69.22490	2.2
79.05500	36.0
81.07061	63.0
83.08625	4.3
86.52843	2.4
91.05473	14.6
93.03401	8.3
93.07050	60.5
95.04950	3.7
95.08614	8.8
105.07010	6.1
107.08599	50.3
111.04451	2.6
120.50278	2.5
121.02876	41.2
121.03963	12.1
121.10127	15.6
149.02357	100.0
149.03430	3.5
149.05984	3.8
149.09680	3.7
149.13278	51.3
161.88496	2.6
163.86389	2.4
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	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.01863	2.7
55.05508	1.7
65.03940	27.9
67.05508	2.7
69.07061	1.8
69.37006	11.5
79.05495	10.2
81.07069	3.6
84.02631	1.3
89.03916	9.4
89.77318	1.6
91.05479	15.5
93.03400	6.0
93.07040	24.0
93.78739	1.2
95.04960	4.1
103.05470	6.4
105.03365	1.8
105.07029	17.6
107.04945	1.7
107.08598	22.5
108.04472	1.6
111.04462	5.1
117.03385	3.9
119.08573	4.3
121.02866	40.7
121.03979	13.5
121.06498	10.7
121.10140	51.0
123.08070	2.7
131.04910	5.3
131.08568	3.3
134.03607	2.4
149.02344	100.0
149.05968	12.2
149.09625	17.9
149.13271	12.1
150.02657	2.0
169.03539	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
53.03946	5.7
55.01878	5.5
55.16407	0.9
58.33510	1.0
65.03621	1.4
65.03944	28.9
67.05509	2.1
71.53769	1.0
71.54169	1.2
77.03989	1.1
79.05496	12.9
81.03428	2.3
81.07052	3.5
89.03910	1.8
91.05487	27.2
93.03423	6.9
93.07050	31.3
95.04974	6.3
98.03685	1.6
103.05471	8.4
105.04507	3.3
105.07037	13.3
107.04964	6.3
107.08606	12.7
108.04510	1.3
108.29079	1.1
111.04458	3.0
117.03384	1.6
121.02871	42.7
121.03976	12.3
121.06515	33.7
121.10139	7.4
121.77983	1.0
131.04906	3.4
131.08600	7.6
149.02356	100.0
149.05997	15.4
149.09624	24.4
149.13268	1.6
150.02715	3.1
163.91478	0.9
167.03358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.19747	1.2
53.03934	3.6
55.01865	3.8
55.05497	2.2
65.03626	1.4
65.03949	25.8
67.05498	1.3
69.07043	1.4
69.51727	7.4
79.05508	13.9
81.07049	3.2
83.11804	1.2
91.05483	22.6
93.03399	8.0
93.07048	36.3
95.04980	3.2
103.05476	6.1
105.04527	2.3
105.07039	18.7
106.07813	1.7
107.04964	3.1
107.08567	6.5
108.04443	1.6
111.04437	3.5
115.05408	1.5
116.06232	2.8
119.08599	3.2
121.02870	41.9
121.03989	9.8
121.06512	9.6
121.10155	19.2
123.08052	2.2
131.04970	4.1
131.08577	3.7
138.61986	1.1
149.02356	100.0
149.06012	10.3
149.09630	74.3
149.13266	3.3
150.02725	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03934	2.8
55.01868	1.0
55.05494	2.6
57.03413	1.2
61.94532	0.7
65.03624	0.8
65.03941	11.6
67.05473	1.1
69.07052	2.6
71.28009	1.1
71.28343	1.1
77.03952	1.3
79.05489	14.7
81.07030	2.9
91.04982	1.6
91.05490	19.2
93.03404	2.6
93.07046	38.2
95.04967	3.3
98.03657	0.9
103.05475	3.9
105.04487	1.8
105.07032	18.0
106.07824	3.1
107.04954	24.6
107.08592	15.9
111.04441	2.5
116.06208	2.8
119.08595	4.7
121.02863	16.5
121.03973	4.7
121.06478	5.6
121.10149	24.2
123.08090	2.1
125.97671	0.8
129.06992	1.5
131.04906	1.1
131.08560	6.0
133.07634	2.1
134.07251	1.1
149.02351	44.0
149.05997	3.6
149.09621	100.0
149.13203	7.4
150.09982	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03948	2.7
55.01889	1.3
65.03941	2.5
69.03416	2.3
70.93050	3.3
76.95464	1.3
77.03907	1.6
79.05502	11.5
81.07049	1.9
87.97118	1.3
88.54356	1.3
91.05490	27.5
93.07053	21.2
94.43220	1.2
95.04967	1.2
103.05475	4.7
105.07041	22.5
106.07839	2.5
107.04903	1.6
107.08601	2.3
109.06519	2.3
115.05461	3.1
116.06247	11.2
119.08620	5.9
121.02869	4.0
121.06511	9.5
121.10153	29.0
123.08054	3.0
129.07025	3.3
131.08585	14.9
133.06554	1.8
133.07588	2.8
134.07300	3.1
147.07990	1.4
149.02321	9.0
149.09625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
53.03948	13.3
55.01863	3.8
65.03938	6.6
74.38404	1.0
77.03926	4.7
79.05482	4.4
81.03428	2.5
81.07053	10.9
91.05480	34.3
93.03392	1.5
93.07040	25.6
95.04962	10.8
103.05464	13.5
105.04513	5.9
111.04430	1.6
121.02885	7.1
121.03973	2.6
121.06500	100.0
122.06718	1.7
123.70319	1.2
127.21835	1.2
131.04919	1.3
149.02351	20.5
149.05977	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	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.85387	1.4
51.02374	2.3
53.03944	14.1
55.01860	4.9
56.96560	1.7
65.03938	12.8
67.05515	1.8
68.99760	2.0
69.03394	1.1
70.95123	1.1
71.49505	2.7
77.03921	3.1
79.05074	1.7
79.05492	18.7
81.03424	2.9
81.07046	9.9
85.04818	2.4
91.05476	43.8
93.03410	3.8
93.07041	40.2
94.06538	1.9
95.04966	15.3
102.03284	1.5
103.05461	34.9
105.04516	7.2
105.07027	2.2
107.04958	6.3
110.43613	1.1
111.03792	1.2
111.04470	2.7
118.55350	1.0
121.02869	21.7
121.04026	2.7
121.06501	100.0
123.48339	1.1
124.04701	1.2
131.04918	6.2
131.08533	1.1
149.02347	47.5
149.05975	21.6
149.09683	2.4
150.05502	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49910	1.0
53.03947	2.1
55.05263	0.9
55.05503	4.6
65.03944	9.8
69.03437	7.1
69.07082	1.6
69.32957	8.2
71.04995	2.1
79.05489	3.8
83.04980	2.3
83.06866	0.9
84.04514	1.0
84.08080	0.9
85.02901	3.6
91.05484	100.0
92.05817	1.0
93.07087	1.1
101.07951	2.2
103.03944	2.6
103.05440	1.7
105.07030	28.6
107.08595	5.3
117.07013	7.6
119.04948	79.1
119.08584	64.4
120.05254	1.4
132.09369	3.7
145.10109	4.4
147.04422	48.4
147.06512	2.9
147.08003	6.7
147.11694	44.5
148.04727	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0606
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
52.23652	4.5
56.62599	3.6
63.12667	4.5
64.09679	3.8
64.42511	3.6
71.54874	4.8
84.04507	100.0
84.05027	5.1
102.05542	22.0
104.39791	4.1
130.05028	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	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03939	1.5
55.01865	1.2
55.05510	6.0
61.02916	1.2
65.03934	11.9
67.05495	1.9
69.03435	8.6
69.07062	2.6
70.85303	2.1
70.85648	1.8
71.04993	2.2
79.05494	3.7
79.87273	0.9
80.08564	1.0
81.03412	1.6
83.04977	2.6
84.04500	1.3
85.02896	3.5
91.05483	100.0
92.05799	1.9
93.07018	1.4
101.07955	1.8
101.76646	1.0
103.03979	2.6
103.05453	2.8
105.07034	31.5
106.07368	1.4
107.08585	7.9
117.07024	7.1
119.04945	89.1
119.08586	75.9
129.07082	1.1
131.08572	1.9
132.09360	4.4
145.10138	3.8
147.04414	53.9
147.06459	4.1
147.08057	7.4
147.09071	1.4
147.10510	2.4
147.11694	47.5
148.04738	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01881	5.9
55.05519	9.3
56.05017	4.4
57.03440	8.2
59.05009	1.3
61.02946	7.2
64.45844	1.2
65.03944	13.3
69.03434	67.4
70.94537	2.8
71.04998	12.4
73.02930	6.8
79.05486	3.8
81.03401	3.0
82.78938	1.3
83.04983	18.4
83.34008	1.3
84.04507	62.1
84.08144	56.7
85.02379	1.5
85.02909	30.4
87.04459	5.1
91.05486	100.0
99.04446	3.8
101.01724	2.5
101.05998	1.6
101.07160	2.1
102.05533	5.4
103.03303	2.3
103.03949	20.1
111.04447	6.4
118.04124	1.4
119.04954	38.4
119.05798	2.5
129.03258	1.4
129.05420	1.5
130.05011	23.8
130.08647	9.5
145.74069	1.2
147.04427	22.0
147.06516	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	147.0653
Annotation	3-Hydroxy-5-oxohexanoate
Peak:m/z	Relative Intensity
53.03938	2.4
55.01881	4.0
55.05514	6.8
56.05027	1.3
56.96577	1.1
57.03433	6.8
59.04989	0.8
61.02930	7.0
65.03944	13.9
69.03430	53.0
71.04995	8.7
71.31069	0.8
73.02925	4.8
75.04478	0.9
79.05498	3.4
80.50864	0.6
81.03419	4.4
83.04983	15.8
84.04504	19.5
84.08150	5.5
85.02908	23.7
87.04461	3.3
91.05485	100.0
92.05834	0.8
99.04459	3.7
101.01722	0.8
101.07977	1.4
102.05556	2.3
103.03949	15.4
103.05459	0.6
105.14868	0.5
111.04456	7.1
118.04192	1.0
119.04946	36.9
119.08578	1.2
119.58463	0.5
129.03416	0.9
129.05487	2.0
130.05020	5.9
130.08627	1.4
147.04431	19.4
147.06516	18.7
147.07722	0.7
156.54706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.21925	0.5
65.03616	1.0
65.03941	14.8
69.03433	0.9
71.18295	1.1
79.01855	0.7
79.05499	3.3
81.86480	0.5
84.04514	0.6
85.02934	0.6
91.05486	100.0
92.05784	0.6
95.04970	0.6
108.07011	0.5
108.67236	0.5
118.04143	0.7
119.04946	28.8
147.04416	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	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	14.0
69.03411	1.5
71.07015	1.8
73.49537	0.9
79.05486	3.6
86.90692	0.8
91.05485	100.0
94.93655	0.8
111.48451	0.9
113.04140	0.9
119.04944	35.2
147.04417	16.4
158.12286	1.0
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
52.56688	1.1
55.01863	1.2
60.07265	0.8
60.78897	0.8
65.03943	11.8
68.85560	0.8
71.07059	1.8
71.07390	1.2
71.88193	0.9
73.07304	0.9
79.05485	3.8
89.15533	0.8
89.86192	0.8
91.05487	100.0
106.42167	0.9
114.94141	0.9
119.04948	33.1
135.36769	0.8
147.04420	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	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03543	0.8
50.03824	0.8
50.41531	0.8
53.40860	0.8
60.06504	0.9
65.03941	13.6
69.03441	1.2
70.83294	1.9
70.83644	1.3
71.62585	0.7
79.05506	4.4
81.73068	0.9
89.71267	0.7
90.38064	0.9
91.05483	100.0
119.04946	38.1
122.65747	0.8
123.74677	0.8
130.06531	1.1
147.04424	19.2
147.09174	1.8
158.23337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03944	12.6
74.77253	0.8
79.05497	4.2
87.25752	0.9
87.88001	0.7
91.05486	100.0
92.05817	1.2
119.04954	36.6
147.04425	18.1
153.52841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
62.00038	1.0
65.03940	12.2
69.03419	1.7
71.07217	2.0
79.05470	2.4
85.02898	1.3
91.05483	100.0
107.84130	0.9
119.04948	40.1
119.05802	2.3
146.88475	0.9
147.04419	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	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.05500	3.9
57.07057	2.0
66.72599	0.9
67.05492	1.6
69.03152	0.9
69.03439	10.5
69.07060	1.5
70.82687	1.0
71.01346	1.2
71.05001	19.1
71.53371	1.4
71.53768	1.4
73.06553	2.2
83.04968	1.9
83.08620	2.1
85.06541	9.7
88.47805	1.0
97.02309	1.5
97.02898	20.0
97.06522	1.8
97.10155	3.0
101.00872	1.0
107.08611	6.3
119.01943	2.6
125.02359	25.9
125.09657	4.5
128.06270	1.8
143.03401	100.0
143.08644	1.6
143.10593	1.1
144.03806	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0754
Annotation	SCHEMBL9698637
Peak:m/z	Relative Intensity
53.03943	9.9
54.17726	2.1
55.01871	2.5
55.05499	2.9
56.96573	12.2
57.03439	3.0
60.39343	1.9
65.03934	7.4
67.05503	19.8
67.15384	1.7
67.85235	2.1
69.07059	8.3
71.01344	3.5
71.05878	3.8
71.06213	2.9
79.05491	13.9
83.01339	7.2
83.05005	2.7
85.02922	12.6
86.15199	1.9
91.05482	29.9
93.03413	15.5
93.07050	53.4
95.04984	18.3
96.18463	2.1
97.06599	3.1
98.97589	14.3
98.98466	3.6
103.05461	7.3
105.04530	2.1
111.04465	11.1
111.08098	4.9
116.98621	4.8
119.14412	2.4
121.02891	25.1
121.06490	14.1
139.03889	4.4
139.07549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79985	7.1
66.29333	5.7
70.69768	23.2
97.18055	7.7
98.20909	7.1
101.00880	67.8
102.23459	8.1
103.98586	7.0
119.01900	100.0
137.02950	15.5
142.03517	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59256	5.0
69.38638	34.2
69.39041	12.5
82.99875	8.4
84.41131	5.1
101.00884	63.0
119.01920	100.0
137.02945	9.3
142.03497	38.0
146.52281	5.3
160.04538	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	139.0754
Annotation	4-Ethoxyphenol
Peak:m/z	Relative Intensity
53.03934	9.7
55.01862	9.1
55.05508	8.7
56.96550	7.6
57.03413	2.9
60.52472	2.7
65.03940	7.8
67.05495	20.9
69.07065	7.9
71.01331	4.8
79.05491	15.8
81.07040	3.6
83.01340	5.7
83.04977	5.3
85.02901	13.3
91.05486	40.5
93.03409	18.2
93.07055	50.2
95.04967	18.2
98.21542	7.2
98.97577	8.3
98.98450	4.6
103.05460	9.8
103.06079	2.4
111.04443	18.9
111.08071	3.8
121.02914	11.8
121.03820	2.8
121.06495	11.7
124.47527	2.5
139.03912	9.3
139.07544	100.0
154.56728	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	139.0754
Annotation	4-Ethoxyphenol
Peak:m/z	Relative Intensity
51.02374	1.9
53.03941	4.9
55.01859	5.9
55.05503	5.4
56.96568	2.6
57.03434	3.2
65.03928	5.5
67.05518	16.2
68.02631	2.4
69.07063	7.3
69.21785	11.2
69.22194	5.0
69.69025	1.8
71.01355	3.4
75.21723	1.7
79.01865	2.2
79.05497	14.6
81.07055	1.9
83.01337	6.0
83.04966	4.9
85.02908	10.5
91.05485	29.2
93.03400	14.5
93.06487	3.3
93.07049	53.5
95.04978	19.5
97.06519	2.0
98.21619	3.1
98.98443	2.0
101.80657	1.8
103.05492	10.4
104.29787	1.8
105.04545	2.8
111.04447	15.9
111.08063	3.4
121.02850	4.7
121.06519	14.0
127.74057	2.0
139.03954	11.8
139.07550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
50.01575	0.6
51.02380	0.6
53.00294	1.7
53.03947	3.1
55.01863	0.9
55.05512	6.6
56.96338	0.6
56.96568	6.7
65.03925	2.2
68.02283	0.9
68.02650	16.6
69.03455	0.9
70.90228	0.9
70.90591	0.7
74.26067	0.5
79.01403	1.0
79.01855	19.3
81.03427	2.4
81.07040	0.5
83.04981	44.8
84.05339	0.6
85.02911	2.5
87.04456	2.1
87.77892	0.5
93.03394	1.1
93.07015	0.9
95.01347	0.6
95.04944	0.6
96.02098	1.0
98.97588	4.7
98.98170	0.6
98.98438	0.5
107.01306	1.4
107.72321	0.5
109.02879	9.1
111.04443	51.2
116.98618	1.4
139.03902	100.0
140.04239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03933	0.3
56.96570	1.3
65.03934	0.7
67.05495	1.1
67.25587	0.3
68.05022	0.4
69.03418	0.4
70.81973	0.7
78.03455	4.0
79.04237	1.0
79.05472	0.4
80.05003	0.4
80.05836	0.7
81.07060	0.6
82.06541	0.4
82.07386	1.5
91.05455	0.3
92.05000	0.7
92.05814	1.4
93.07048	0.3
93.39206	0.3
94.06559	0.9
94.60475	0.3
95.04992	0.6
95.08603	0.3
96.04498	10.2
96.05157	0.5
98.34037	0.3
105.08721	0.3
108.04500	3.0
108.05206	0.5
109.06528	0.4
110.06039	1.1
110.06857	1.2
110.09721	0.4
110.10480	0.3
111.03178	0.4
111.04430	0.6
119.06082	0.3
120.04460	0.6
120.05241	0.4
120.08176	0.3
121.02905	0.5
121.06512	0.6
123.06827	0.7
124.03946	2.6
137.41705	0.3
138.05502	100.0
138.09109	1.5
139.05827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02010	0.6
53.03947	3.3
55.01868	2.4
55.05505	3.3
55.95298	0.7
57.07084	4.4
65.03941	5.2
67.05508	27.2
68.99786	1.5
69.03427	7.6
69.07072	3.7
69.69060	3.7
77.03911	0.9
79.05502	19.0
79.97292	0.7
81.03437	1.2
81.07060	73.1
82.07378	0.6
85.93795	0.7
91.05486	31.7
93.07068	4.7
94.04197	6.2
94.07841	0.7
95.04974	4.9
95.08612	48.0
103.05515	0.7
107.04966	14.7
107.08595	1.7
109.02881	0.7
109.06525	30.9
109.10162	29.1
109.10946	0.9
117.06969	1.4
119.04964	6.4
119.05870	0.9
119.08589	12.0
121.06520	5.4
122.03683	4.3
122.07294	63.6
123.07697	0.9
135.08058	2.9
137.02441	1.7
137.05981	33.3
137.09622	100.0
137.13242	7.5
138.06400	0.7
138.09988	0.9
158.97621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
51.02010	0.6
53.03947	3.3
55.01868	2.4
55.05505	3.3
55.95298	0.7
57.07084	4.4
65.03941	5.2
67.05508	27.2
68.99786	1.5
69.03427	7.6
69.07072	3.7
69.69060	3.7
77.03911	0.9
79.05502	19.0
79.97292	0.7
81.03437	1.2
81.07060	73.1
82.07378	0.6
85.93795	0.7
91.05486	31.7
93.07068	4.7
94.04197	6.2
94.07841	0.7
95.04974	4.9
95.08612	48.0
103.05515	0.7
107.04966	14.7
107.08595	1.7
109.02881	0.7
109.06525	30.9
109.10162	29.1
109.10946	0.9
117.06969	1.4
119.04964	6.4
119.05870	0.9
119.08589	12.0
121.06520	5.4
122.03683	4.3
122.07294	63.6
123.07697	0.9
135.08058	2.9
137.02441	1.7
137.05981	33.3
137.09622	100.0
137.13242	7.5
138.06400	0.7
138.09988	0.9
158.97621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03951	2.3
55.01875	1.2
65.03951	0.9
67.05511	20.3
69.03418	2.5
70.26290	1.6
70.26669	1.4
79.05502	6.7
81.07060	24.4
91.05486	18.4
93.07040	3.4
94.04170	2.4
95.04958	2.2
95.08611	7.7
98.20842	1.4
107.04958	13.0
109.06522	10.5
109.10164	27.6
117.07050	0.9
118.06753	0.9
119.04913	2.5
119.08582	14.6
121.06503	7.2
122.03676	1.6
122.07295	69.3
135.08095	2.4
137.05986	12.9
137.09624	100.0
138.09920	1.1
143.70161	0.8
147.18616	0.8
153.42052	1.0
159.03775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03929	3.8
55.01862	3.4
55.05516	5.3
56.77107	0.7
57.03424	1.0
65.03936	5.0
66.50101	0.8
67.05508	52.0
68.99792	1.3
69.03436	7.0
69.07061	2.6
69.51207	3.1
69.51615	2.8
77.03928	1.0
79.05077	1.1
79.05501	15.1
81.03417	2.9
81.07058	39.8
83.04970	2.2
85.42422	0.8
91.05484	36.0
93.07059	6.8
94.04182	5.3
95.04971	13.8
95.08608	9.0
103.05444	1.2
105.07012	1.0
107.04967	15.1
107.08565	4.7
108.05749	2.2
109.06521	63.4
109.10158	48.6
117.07024	2.0
119.04947	2.8
119.06058	2.7
119.08582	14.7
121.06522	4.6
122.03686	1.4
122.07291	49.9
128.77422	0.9
131.38907	0.9
135.08060	2.3
137.02484	2.0
137.04907	1.0
137.05986	24.2
137.09621	100.0
138.09990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03944	3.4
54.47755	1.4
55.01865	3.1
55.05502	4.1
60.79701	1.7
65.03926	3.2
67.05508	47.6
69.03425	4.9
69.07069	2.3
71.47001	2.1
79.05496	9.4
81.03427	4.0
81.07055	26.8
81.98162	1.2
83.04983	1.8
91.05478	23.5
93.07047	7.6
94.04196	2.8
95.04962	14.0
95.08598	4.9
95.89265	1.3
103.05461	1.9
103.38804	1.3
105.10540	1.4
105.95374	1.5
107.04953	11.2
107.08593	4.2
109.06525	46.0
109.10159	41.3
119.04990	2.0
119.06082	2.3
119.08591	14.2
121.06491	3.3
122.07287	53.1
135.08086	1.7
137.06000	9.3
137.09621	100.0
141.82558	1.2
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
51.02353	0.5
53.03953	0.8
65.03925	0.7
66.04729	2.9
69.18651	5.3
79.05508	3.0
81.07054	2.8
81.07459	0.6
88.08823	0.6
91.05479	3.8
94.04190	26.8
98.12170	0.5
98.20728	0.9
106.61790	0.5
107.04942	1.3
109.06499	1.8
122.03652	47.5
131.93083	0.5
137.05978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03947	9.5
55.05500	7.0
56.96548	3.6
61.69678	1.9
67.05500	4.2
69.07070	5.3
70.72620	4.1
79.05493	33.9
81.07076	2.5
81.92016	2.0
85.09856	1.8
89.03918	13.2
91.05480	44.4
93.07053	52.1
95.04966	5.5
105.04510	2.5
105.07024	18.6
107.04960	15.9
107.08599	100.0
108.08179	1.8
109.06541	5.4
115.05403	2.3
117.03369	4.7
117.07029	5.1
119.06095	3.6
119.08587	16.1
120.09396	2.6
126.86258	1.9
135.04427	34.3
135.05472	2.1
135.08066	18.2
135.11687	43.3
136.02180	10.5
136.06194	18.0
136.07155	2.6
136.07532	2.2
137.09602	1.8
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
53.03942	5.2
55.05503	4.5
57.07069	1.9
65.03938	2.8
67.05481	2.4
69.07059	1.7
69.81646	8.5
79.05499	22.0
81.07040	2.7
91.05478	44.8
91.06029	3.1
93.07044	45.7
94.07780	1.7
95.04965	6.9
100.15519	1.5
105.04528	1.8
105.07026	23.5
107.04962	2.8
107.08594	100.0
109.06515	5.1
117.06989	3.8
119.06049	4.0
119.08575	20.1
120.09351	6.7
133.05609	1.4
133.10048	1.7
135.04402	4.2
135.08090	11.8
135.11694	44.5
140.69531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.05511	5.4
56.96556	1.3
57.07067	1.9
65.03935	1.9
67.05509	1.8
69.07055	1.3
69.70187	5.7
79.05495	18.8
81.07053	2.7
91.05486	36.9
93.07047	47.7
95.04959	5.6
96.34949	1.0
100.46408	1.1
103.05451	1.1
105.04542	2.6
105.07040	20.2
107.04966	6.5
107.08595	100.0
109.06509	3.7
112.00968	1.6
115.05455	1.9
117.07001	2.7
119.06066	2.6
119.08582	19.7
120.09364	6.8
135.04414	11.6
135.08089	10.8
135.11691	49.9
136.02167	6.1
136.06155	7.7
137.09552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72964	0.6
51.02372	1.0
53.03947	4.1
55.05516	8.7
65.03941	1.6
66.78564	0.6
67.05495	2.9
69.00298	0.5
69.07070	4.6
70.26247	2.3
72.32220	0.6
77.03966	1.1
79.05496	21.2
81.03397	0.6
81.07047	3.4
86.75042	0.5
91.05486	28.9
93.07047	56.9
94.07838	1.8
95.04990	4.0
98.96247	0.6
104.06223	0.6
105.04552	1.5
105.07027	12.6
106.04185	1.0
107.04937	3.7
107.08599	100.0
107.61797	0.7
108.08892	0.7
109.06525	3.5
115.05449	1.2
117.07021	2.0
119.06068	2.3
119.08571	6.7
120.09349	2.5
121.31724	0.6
125.53562	0.7
133.10118	0.9
135.04443	5.5
135.05460	0.9
135.08046	6.1
135.11702	27.1
136.02177	0.9
136.06192	1.4
142.96489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.95557	1.0
53.03939	5.2
55.01871	1.1
55.05508	8.1
65.03937	1.5
67.05489	3.2
69.07052	3.6
69.43080	7.5
72.79897	0.9
74.50995	0.8
79.05074	1.6
79.05494	23.5
80.05859	0.8
81.07041	4.0
91.05480	27.7
93.07043	60.3
95.04953	4.5
105.04546	1.7
105.07021	10.9
107.04984	4.5
107.08588	100.0
109.06488	3.2
110.40384	0.8
117.06982	1.3
119.06078	2.4
119.08566	4.0
120.09338	2.1
131.45839	1.1
135.04393	8.3
135.08066	6.0
135.10710	1.9
135.11685	28.7
136.02147	3.2
136.06183	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.24762	2.5
53.03942	9.2
55.01881	18.9
56.96539	2.8
59.13172	2.9
65.03939	8.2
67.05511	9.1
69.03425	4.8
69.23257	7.3
69.23678	19.1
73.82909	3.1
79.05498	90.2
87.19647	2.9
91.05486	85.5
93.07032	10.9
95.04980	12.0
105.04507	4.4
105.07047	24.7
107.04960	40.6
107.08595	39.9
109.06508	8.4
115.05457	29.2
117.07034	30.6
119.06110	5.1
120.05760	4.6
135.04431	57.9
135.05452	5.9
135.08067	100.0
136.02147	7.6
136.06210	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03936	7.8
55.01868	22.3
65.03925	8.7
67.05502	9.3
70.83635	7.3
70.84004	6.4
79.05022	4.1
79.05495	83.9
91.05489	79.7
93.07031	16.7
95.04967	8.3
105.07043	23.0
107.04954	31.1
107.08603	43.9
108.92619	3.5
109.06524	8.7
115.05476	30.6
117.07047	26.8
119.06065	5.3
135.04427	20.4
135.08055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02378	2.7
53.03708	0.7
53.03945	7.7
54.14186	0.4
59.15488	0.4
65.03944	0.9
67.05489	0.7
77.03929	6.2
79.05495	17.8
81.03415	0.8
87.40216	0.4
89.03925	2.0
91.05498	2.9
93.07042	2.9
95.04968	7.7
98.21565	0.6
105.03397	10.5
105.04485	4.6
105.07008	0.6
107.04969	2.4
107.08579	4.8
117.03384	1.1
117.07050	0.5
119.08563	0.5
124.75085	0.4
135.04416	100.0
135.08052	1.3
135.11652	2.8
136.02177	1.6
136.04750	0.9
136.06192	1.6
146.59015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03947	3.9
55.01871	20.7
60.05681	2.3
65.03941	10.4
67.05498	7.4
69.03428	22.8
69.35911	10.0
69.36318	5.8
72.66359	1.8
79.05498	62.1
83.08508	1.9
91.05486	100.0
92.06258	2.6
93.07043	20.6
95.04964	7.1
95.32070	2.2
105.07033	37.6
107.04992	10.8
107.08595	81.6
107.09319	4.0
109.06498	12.4
115.05457	31.1
117.07020	32.4
117.80034	2.1
119.06034	9.8
119.08565	2.8
120.05699	2.7
135.04405	7.0
135.05426	2.1
135.08063	82.8
135.11688	5.0
136.02144	8.1
136.06186	9.2
137.26385	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.7
57.03439	66.1
61.83149	5.0
68.02643	4.8
69.03431	20.5
70.37177	13.1
70.99857	10.3
71.02996	4.1
72.52965	23.5
73.02923	19.3
73.71581	3.9
77.52196	20.6
78.52967	16.0
79.02155	5.7
79.05476	6.0
80.52701	4.5
81.03422	12.2
82.01460	29.5
82.99851	10.6
85.02901	8.2
85.51921	4.2
85.53749	9.8
86.52702	100.0
87.02785	20.7
88.02705	36.3
90.52958	6.0
92.52695	5.9
93.01925	7.2
93.53471	8.9
95.53223	50.0
96.03289	4.3
98.52659	5.4
99.53478	13.8
100.02487	63.4
101.00884	65.8
101.02564	8.0
102.00983	9.9
102.02422	23.1
103.02520	4.4
104.52648	5.7
105.02906	4.6
105.06969	4.2
107.53214	5.9
108.54025	5.8
111.02935	21.2
111.04284	5.9
111.55258	5.3
113.00877	19.4
113.53210	12.1
114.01015	4.4
115.02432	11.7
118.03526	19.5
119.01929	84.6
120.02045	11.4
121.01617	5.1
122.53722	13.5
123.66297	3.8
124.02450	37.8
125.02526	7.8
131.01895	42.6
131.54221	4.0
132.01978	4.4
133.03442	8.8
134.06035	6.9
137.02936	9.4
142.03497	94.8
143.01921	16.8
143.03685	14.8
145.03497	7.4
147.05099	5.0
154.03523	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03937	2.4
55.05507	1.9
56.96568	1.0
68.50465	0.6
69.03410	1.0
79.05488	5.9
81.04518	0.9
83.94192	0.7
91.05483	15.3
93.07052	5.0
95.04929	1.1
97.02924	0.8
102.04715	0.8
103.05474	3.3
103.23870	0.7
105.03382	0.9
105.04530	1.0
105.07032	52.8
107.08606	0.9
112.02181	1.6
113.02981	1.8
115.05434	4.4
116.06252	0.9
117.07054	5.1
118.07800	5.5
123.07912	3.9
131.08560	7.3
133.02858	1.0
133.06531	6.1
133.10132	100.0
134.10461	1.5
144.04744	1.0
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	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03942	1.3
54.76057	0.6
55.05505	1.4
65.05557	0.6
69.03419	0.7
77.03924	1.3
79.05495	6.1
81.04545	0.9
84.63242	0.5
91.05477	15.9
92.06303	0.5
92.34415	0.5
93.07044	5.2
95.04969	0.6
95.33871	0.5
98.20741	1.5
98.90659	0.5
101.09367	0.6
103.05475	2.5
103.51881	0.5
105.03381	2.2
105.04508	0.8
105.07032	50.1
107.08612	0.7
109.81896	0.6
112.02216	1.1
113.02983	0.6
115.05453	4.0
116.06234	1.2
117.07028	5.5
118.07800	7.2
123.07936	2.0
123.31837	0.5
131.08575	5.6
133.02855	1.9
133.06493	6.8
133.07608	4.6
133.10130	100.0
134.10489	1.4
144.04907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03944	1.1
55.05507	1.1
67.05506	0.6
70.83230	1.3
79.05500	4.0
89.99773	0.4
90.86633	0.5
91.05486	13.5
91.82217	0.5
93.07053	3.5
93.81755	0.5
95.05018	0.6
103.05476	1.6
105.07037	36.1
107.08576	0.9
115.05480	4.0
116.06270	0.8
117.07040	4.4
118.07805	6.2
129.07016	0.7
131.08600	5.1
133.06508	1.3
133.10136	100.0
134.10461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03946	0.7
55.05511	1.6
63.14163	0.7
68.54869	0.6
70.20132	2.3
73.70460	0.6
77.03922	0.7
79.05503	3.4
91.05482	13.0
93.07042	3.5
95.04971	0.8
103.05485	2.9
105.07036	44.7
107.08631	0.7
112.02207	0.9
115.05467	4.0
116.06253	1.1
117.07026	4.7
118.07804	4.9
123.07957	1.1
131.08586	6.8
133.02841	0.6
133.06464	1.7
133.10136	100.0
134.10516	0.7
136.91501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.05490	1.4
69.18005	3.9
69.18423	2.5
69.65673	0.6
72.93644	0.6
79.05499	4.9
91.05484	11.8
92.78168	0.7
93.07043	3.6
95.04961	1.0
98.20751	1.2
103.05474	3.5
105.04556	0.8
105.07032	37.2
107.08559	1.3
107.51401	0.7
115.05439	3.6
117.07000	5.3
118.07807	5.4
123.07975	1.3
131.08583	5.1
133.10133	100.0
134.10487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03935	3.2
56.96554	1.6
66.04719	10.3
68.02608	0.8
69.01949	0.8
69.03423	1.6
70.89603	0.8
71.21812	1.2
77.03951	1.0
79.05493	9.3
81.04530	1.5
89.03901	3.4
90.04156	1.5
90.04697	19.2
90.05251	1.3
91.05466	3.2
92.02600	0.9
95.04926	1.1
97.02866	1.3
102.04694	1.3
103.05465	22.7
105.03407	1.4
105.04566	1.5
105.05322	1.8
105.07029	21.4
105.07699	1.8
112.02179	2.1
113.03021	1.7
114.81313	0.8
115.05434	1.1
118.04158	83.7
122.16588	0.9
123.07920	4.8
133.04823	4.1
133.06490	100.0
133.10100	8.0
141.54268	1.0
144.04774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Atropaldehyde
Peak:m/z	Relative Intensity
53.03942	1.8
64.97652	1.0
65.03900	1.2
66.04732	9.3
71.24251	2.2
71.95179	1.1
79.05499	8.2
89.03934	3.5
90.04710	21.9
91.05491	1.2
103.05474	18.7
105.07050	8.3
118.04169	79.8
120.43343	1.1
133.06500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02371	0.9
53.03948	5.9
55.01875	0.9
55.05505	1.4
56.96562	0.7
57.72223	0.5
67.05495	1.1
69.27232	1.2
69.27644	3.9
73.02888	0.5
76.32108	0.5
77.03925	1.0
79.05494	29.7
79.76525	0.4
81.03417	0.7
81.04561	0.7
84.90606	0.5
88.00492	0.5
88.02202	0.6
91.05485	16.4
92.98304	0.4
93.07053	2.6
95.04958	5.1
97.02886	0.8
98.21583	1.0
103.05469	17.8
105.04510	1.8
105.07033	100.0
106.52987	0.6
107.08604	0.5
112.02207	1.7
115.05463	2.4
117.07042	2.5
118.04189	0.8
118.07822	2.7
123.07952	2.4
123.64886	0.5
131.08569	4.4
133.02846	0.5
133.06522	16.9
133.07507	0.7
133.10132	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01873	12.9
55.05519	15.1
57.03440	13.2
59.04752	2.4
59.04995	16.9
61.21920	2.7
67.05491	13.2
67.40083	2.9
69.03429	21.3
69.07073	100.0
70.67420	8.6
71.04994	5.3
79.05486	7.2
81.07060	3.5
83.04973	15.7
83.08620	4.4
84.04522	5.7
84.08153	38.3
85.02898	9.6
85.06545	13.1
97.06537	3.5
100.53246	2.7
101.18475	2.6
105.50742	2.3
111.00912	2.9
111.04432	7.7
111.08125	4.7
112.07584	15.2
112.09667	2.7
112.11278	5.0
129.01839	30.5
129.05418	7.8
130.08673	7.1
147.97850	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	129.0548
Annotation	Osmundalactone
Peak:m/z	Relative Intensity
53.00324	2.1
53.03955	12.3
55.01880	48.2
55.05271	3.6
55.05517	48.1
57.03440	50.7
61.02942	15.6
65.03941	8.0
67.05508	4.6
69.03435	100.0
71.01362	3.8
71.05006	18.5
71.14522	4.7
73.02929	4.8
81.03427	7.9
83.04493	4.4
83.04987	72.4
83.06094	13.3
84.04507	14.5
84.08152	26.1
85.02910	43.0
95.52308	2.5
99.04479	14.1
100.02493	4.1
108.51636	2.1
111.04443	30.8
111.06386	1.9
112.07623	6.6
119.01946	4.0
124.02608	1.8
129.01855	9.7
129.05490	15.8
129.06488	3.9
130.05067	2.2
130.08672	4.1
142.03578	2.5
149.56781	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51680	0.8
53.00296	1.0
53.03957	1.1
55.01871	2.1
57.03444	0.9
58.06606	4.5
58.06840	0.8
69.03439	4.8
70.67699	2.3
70.68069	1.0
71.01349	2.8
74.01121	1.5
75.40300	0.7
76.51399	1.2
78.52975	1.1
81.01926	0.9
81.03436	6.1
81.04535	1.7
82.01449	14.9
83.01522	1.6
84.08153	30.5
85.01402	2.3
85.02893	2.8
85.51926	33.4
86.01974	4.9
89.74746	0.8
92.52698	0.9
94.52448	100.0
95.01646	1.6
95.02513	19.1
97.02795	2.3
97.51900	3.3
99.04440	1.7
99.51642	1.7
100.01866	1.4
100.02495	19.8
101.02563	2.1
103.02461	3.8
103.52958	5.3
104.02174	3.6
104.03030	1.2
106.03214	4.2
106.52448	3.8
106.53163	0.9
108.72940	0.8
109.02876	4.5
110.04326	0.8
110.06020	1.2
113.02360	6.6
114.04044	1.8
115.52998	4.6
118.03545	6.4
121.01682	1.7
122.01973	1.4
124.53422	1.3
126.04037	7.1
127.03929	13.4
127.07211	2.5
127.12289	1.6
129.00365	1.2
131.01875	0.8
132.36008	0.7
135.05109	1.0
138.00372	1.5
142.03535	0.7
142.89642	0.9
144.05057	6.2
147.01418	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	126.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
56.96571	2.3
65.66162	0.4
69.04036	0.4
69.34246	2.5
69.34658	0.9
78.52979	0.9
81.03426	0.9
82.01430	2.2
82.06552	0.6
83.01501	0.5
84.01219	1.0
84.08131	0.7
84.96023	1.0
84.99600	4.4
85.01497	0.5
86.03828	0.4
91.53737	0.6
100.02495	2.6
101.02534	0.8
102.00980	1.1
102.02220	2.8
102.53140	1.3
103.00645	41.4
103.01269	1.9
103.02529	1.1
108.04476	1.0
109.02898	0.6
109.04011	1.3
111.53659	1.7
112.07603	0.7
114.04073	0.8
117.74397	0.4
118.03531	0.7
119.08733	0.4
120.02013	2.1
120.03293	1.0
121.01676	100.0
126.02190	1.0
126.05773	0.4
126.06645	7.4
127.03965	0.8
128.98624	0.7
139.02701	19.3
144.03226	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	126.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02575	0.2
53.13482	0.2
53.24899	0.1
55.01880	0.8
55.05524	0.4
56.05043	0.3
56.96565	1.4
57.03442	0.5
58.99874	0.4
59.52185	0.2
60.99634	0.7
68.98292	0.3
69.03425	0.9
69.07116	0.2
69.84718	0.3
69.85104	0.4
70.06591	0.3
70.99870	0.2
71.03002	0.4
71.05004	0.4
72.52983	0.4
72.99625	1.3
73.02938	0.3
77.00888	0.4
78.52975	1.2
79.00676	0.5
79.03053	0.3
79.05526	0.3
79.52856	0.3
80.02960	0.2
80.05027	0.7
81.01909	0.2
81.03418	0.8
81.07066	0.1
82.01447	3.6
82.06573	0.3
83.01501	0.8
83.05002	0.3
83.06120	0.9
83.06560	0.1
83.50532	0.1
84.01208	1.5
84.04517	0.2
84.08131	0.8
84.96046	0.4
84.99604	2.7
85.01508	0.6
85.02934	0.3
85.51912	0.2
85.53729	0.3
86.03846	0.2
86.52715	0.7
86.99349	0.2
87.52558	0.2
87.53500	0.3
89.00820	0.2
90.01550	0.2
91.00649	0.3
91.52871	0.2
91.53715	0.7
92.52682	0.3
93.52576	0.4
94.02699	0.5
94.03248	0.3
95.01343	0.3
95.02489	0.6
95.03088	0.3
96.52966	0.2
97.02879	0.2
98.06036	0.3
98.97590	0.2
99.04464	0.7
99.53485	0.2
100.02483	6.9
100.03501	0.3
100.52388	0.2
101.00887	0.7
101.02554	1.3
101.05812	0.2
102.00976	1.0
102.02245	4.1
102.53120	0.5
102.54836	0.2
103.00644	32.5
103.01261	1.6
103.02525	1.8
103.03194	0.4
103.53781	0.2
105.03684	0.2
105.07037	0.2
105.53460	0.4
108.04497	1.2
108.05575	0.3
109.02892	0.7
109.04013	2.2
109.52938	0.2
110.54443	0.2
111.04459	0.2
111.53687	0.3
111.54495	0.2
112.03721	0.2
112.54465	0.4
113.00880	0.5
114.03996	0.5
114.54004	0.4
115.02423	0.6
116.02586	0.2
117.02175	0.4
118.03532	2.9
119.01914	0.9
119.03617	0.6
120.02012	2.3
120.03271	2.0
121.01672	100.0
121.02311	4.1
122.01983	0.2
123.02095	0.6
123.04388	0.2
123.05282	0.4
124.02533	0.2
126.02229	0.9
126.04459	1.2
126.05658	0.5
126.06643	15.3
126.09134	0.6
127.02444	0.2
127.03947	0.9
127.04958	0.2
131.01913	1.6
132.05046	0.7
133.01709	0.3
133.03471	0.3
134.03542	0.2
135.03227	0.3
138.03052	0.7
139.02695	27.1
142.03465	0.4
143.00209	0.2
143.01878	0.2
144.02097	0.4
144.03230	7.2
144.99812	0.5
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
51.02378	0.6
53.03941	1.9
55.05509	3.2
57.98658	0.5
65.03944	0.8
66.81113	0.6
67.05506	18.3
67.63822	0.6
70.21214	0.9
70.21613	1.3
75.53406	0.5
77.06866	0.6
79.05498	10.6
80.05011	6.2
80.06276	1.3
81.03431	0.8
81.07057	11.9
82.01459	5.7
91.05466	1.2
91.33127	0.6
93.07050	3.8
95.04973	13.9
95.08614	36.2
96.04503	2.1
100.02483	13.1
103.05487	1.9
105.04526	1.3
105.07043	11.4
106.07371	2.1
107.04968	5.6
108.05742	39.8
108.07684	3.6
112.03924	0.6
118.03519	4.1
121.06493	8.8
123.04450	5.0
123.05560	22.0
123.08071	100.0
123.11671	3.2
124.03957	4.7
124.08443	1.2
124.67502	0.6
125.06062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
53.03938	2.0
53.31234	0.5
64.55919	0.6
65.03938	6.5
67.05506	100.0
68.87769	0.5
69.47397	3.8
79.05499	1.8
80.05006	3.9
81.07070	1.4
82.01474	0.9
95.04972	20.1
95.08611	1.7
96.04527	1.0
98.13366	0.6
98.21484	0.9
100.02495	1.4
118.03527	0.7
123.04459	17.6
123.05573	11.3
123.06378	1.0
123.08093	2.2
124.03937	1.4
138.37453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	p-Tolualdehyde
Peak:m/z	Relative Intensity
51.02364	1.5
53.03953	15.9
55.01867	4.6
65.03931	3.9
70.25097	3.9
77.03921	4.8
78.04720	1.0
79.05496	2.7
81.03407	3.7
82.23426	1.1
91.05488	38.5
93.07048	20.5
95.04974	16.9
96.29807	1.1
102.30769	1.2
103.05473	14.8
105.04513	8.8
105.07021	2.2
121.02876	3.5
121.06512	100.0
121.10158	1.9
122.09655	2.5
125.59591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82190	1.0
56.64778	1.1
70.68253	3.5
82.01450	57.9
89.38819	1.3
100.02486	100.0
101.00877	5.0
105.44794	0.9
118.02688	1.4
118.03520	25.3
119.01906	9.9
123.04023	1.8
137.02963	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11621	0.9
51.33387	0.9
52.16204	0.8
58.99863	1.4
65.62337	0.9
66.74033	0.9
71.30228	1.0
71.30562	1.2
82.01450	50.2
94.78396	0.9
95.51460	0.9
100.02486	100.0
101.00880	3.7
103.99174	0.8
118.03522	27.0
119.01915	7.6
123.04093	1.8
137.02985	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
56.05852	0.9
57.84428	0.6
65.03945	16.6
65.52207	0.8
69.03440	1.9
69.78173	2.1
71.02998	0.5
71.22350	0.6
72.08167	3.5
73.02917	0.6
73.07862	1.2
73.08488	9.0
74.06110	0.9
82.01461	0.9
84.01220	0.7
91.05487	100.0
95.54181	0.6
98.04414	0.6
100.02490	1.9
101.00856	0.8
102.02230	2.8
107.04938	2.3
109.06520	0.6
112.07613	1.3
116.05482	0.6
118.03507	0.6
119.01932	1.0
119.04955	32.2
119.09056	4.5
120.03288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.63468	0.7
65.03616	1.2
65.03947	17.6
66.82954	0.6
71.24532	0.8
71.24869	1.2
86.17661	0.7
88.18610	0.7
90.87746	0.7
91.05489	100.0
119.04954	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38363	0.8
61.70480	0.7
63.45415	0.7
65.03614	1.2
65.03945	19.9
69.71156	4.2
71.61439	0.7
91.05486	100.0
92.05835	1.0
119.04953	29.1
119.08617	1.0
133.01413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23273	4.2
59.52217	4.6
69.03438	39.0
69.56507	20.9
69.56917	8.9
71.02999	9.1
77.23608	4.5
78.52966	7.6
82.01442	24.6
83.01525	7.3
91.05492	48.1
93.34649	4.1
93.53467	5.9
100.02480	47.8
101.00884	54.5
101.02562	12.9
102.02277	5.9
103.02446	5.3
107.05225	5.2
118.03516	12.3
119.01931	100.0
119.03654	8.1
119.08555	5.4
137.02971	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31745	0.8
56.96552	1.3
58.99868	0.7
65.03926	0.9
69.03421	6.0
69.07066	1.3
69.91220	3.5
71.02981	1.5
78.52943	1.3
82.01441	8.1
82.99837	5.5
83.81881	0.8
86.52685	0.7
87.53486	1.3
88.51595	0.8
91.05487	9.8
93.53482	1.4
100.02481	12.8
101.00881	48.4
101.02541	2.3
102.02235	1.4
103.02473	0.9
107.53166	0.8
112.00823	0.9
118.03514	2.9
119.01921	100.0
119.03583	4.4
119.04929	1.8
120.02038	0.8
131.01912	1.0
133.03435	1.4
137.02957	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	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.26352	0.6
65.03941	20.3
65.04285	1.0
70.52048	1.5
70.52414	1.3
77.62651	0.6
84.47079	0.7
89.59203	0.7
91.05482	100.0
102.24321	0.6
119.04944	22.7
119.08573	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
52.20910	0.3
53.03946	0.4
55.05513	14.1
56.05034	0.6
57.05822	1.1
58.06600	15.1
59.04993	0.4
59.07383	16.1
69.03423	2.2
69.07068	0.4
70.06596	0.5
71.40924	0.5
72.08155	100.0
72.52966	0.4
82.01447	2.1
82.06582	0.6
83.04973	0.4
84.08148	1.4
87.04481	0.6
91.05485	0.6
93.04773	0.3
94.06590	0.4
94.54268	1.1
100.02479	4.6
101.02561	0.5
102.02245	0.4
103.54790	1.1
106.05044	6.4
106.05698	0.5
106.55125	1.0
111.06848	0.4
112.07613	5.3
115.05580	1.0
118.03527	1.8
118.08654	75.3
119.03585	0.4
119.04880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0757
Annotation	cis-3-Hexenoic acid
Peak:m/z	Relative Intensity
53.03953	1.9
55.01877	6.5
55.05520	5.7
57.03437	9.6
59.05006	2.5
65.42978	0.6
65.80260	0.6
67.05506	5.8
68.68735	0.7
69.03419	2.5
69.07072	100.0
69.76583	2.5
69.76995	0.9
69.93080	0.6
70.06574	0.7
71.05018	1.0
73.06562	16.7
79.05495	17.3
82.49695	0.6
87.00850	0.9
87.04475	2.6
95.04972	0.8
97.06538	59.6
98.21407	1.3
110.70583	0.6
115.03979	2.6
115.05449	6.7
115.07575	8.8
115.09526	1.0
125.64561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	N-Methyl-a-aminoisobutyric acid
Peak:m/z	Relative Intensity
52.35285	0.3
52.75107	0.3
53.03946	0.5
55.05516	15.7
57.05817	0.7
58.06605	7.3
59.07384	9.2
59.07668	0.6
61.46088	0.3
65.03951	0.4
67.51699	0.3
69.03430	2.3
70.56489	0.6
70.56844	0.9
72.08160	100.0
82.01454	3.1
83.07345	0.4
84.08154	1.1
85.53753	0.6
91.05479	2.9
91.92024	0.4
94.06548	0.4
94.54290	2.0
97.04519	0.8
98.20814	0.3
100.02485	5.3
101.02580	0.5
102.02255	0.4
103.54789	1.0
104.54702	0.4
106.05048	6.3
106.55094	1.1
107.04935	1.1
112.07615	6.0
115.05556	1.0
117.55988	0.3
118.03524	1.4
118.04278	0.5
118.08662	41.5
119.04916	0.5
122.49783	0.3
125.05585	0.3
137.77284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
55.05505	2.3
55.16433	0.9
57.03428	3.6
57.07078	24.6
65.03942	4.8
66.09156	0.9
67.01869	2.5
67.05507	42.0
68.05025	1.1
69.03431	1.8
69.07047	1.6
70.02961	5.1
71.04996	11.5
71.55004	1.0
71.94086	2.7
72.93789	6.2
73.01482	0.9
82.67957	1.0
85.02923	1.3
85.06083	1.2
85.06552	15.2
86.41329	0.9
90.00127	2.8
90.94822	2.1
95.01330	3.3
95.04970	23.8
95.08627	2.0
96.00854	3.2
98.50938	1.7
99.00639	2.6
100.06209	1.0
101.50905	0.9
110.10884	0.8
113.00052	7.4
113.02369	100.0
113.03487	8.9
113.06004	23.1
113.07172	1.4
113.07886	1.0
113.10795	1.3
114.05518	1.4
114.09180	2.6
129.06105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24759	1.0
51.66934	0.8
52.14890	0.7
53.03947	10.5
55.05514	6.9
58.32869	1.1
60.43867	1.0
65.03938	3.9
67.05507	100.0
69.07076	6.1
77.50109	1.0
77.99946	3.3
79.05498	13.3
81.03426	13.7
81.07058	39.2
81.07539	2.0
86.00705	6.1
86.50635	2.9
87.00462	16.2
91.05481	2.4
94.04179	2.2
94.07845	1.2
98.21561	2.0
98.51260	2.0
107.08595	4.2
109.02890	4.0
109.06515	12.0
109.07669	2.2
109.10159	66.1
110.06045	2.6
111.96881	2.1
112.96719	1.1
113.96403	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	111.0443
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
52.83070	0.5
53.03943	1.8
53.89550	0.5
55.01861	1.8
55.05513	32.5
56.96563	1.0
65.03939	2.5
67.51073	0.6
69.03439	0.8
76.51579	1.6
77.99902	0.5
83.04982	26.6
87.00459	0.5
87.14864	0.5
87.50604	1.0
88.00479	8.2
88.02402	0.5
93.03403	0.8
96.09076	0.5
97.01002	4.1
99.51272	1.6
111.04440	100.0
115.96454	3.1
116.97204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03946	16.2
54.11769	1.2
55.01625	0.8
55.01871	2.0
55.05512	11.5
59.60391	1.0
65.03940	5.4
67.05507	100.0
67.66631	1.1
69.07069	6.0
70.74130	0.8
71.55783	1.1
74.99828	1.5
77.99940	3.9
79.05492	24.1
81.03421	27.1
81.07059	54.4
86.00704	9.0
86.40871	0.9
86.50637	3.2
87.00471	33.4
89.50711	1.2
91.05459	4.1
94.04192	3.5
94.07807	1.1
95.04974	1.0
96.00965	1.8
97.51478	1.4
98.51269	4.5
107.04954	1.5
107.08594	3.9
109.02899	7.3
109.04847	1.1
109.06520	27.6
109.07670	2.9
109.10157	69.7
110.06037	5.2
111.96860	4.3
113.96413	9.0
129.97862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03747	0.6
53.03950	7.3
55.01868	4.0
55.05508	2.5
65.03941	3.3
67.05506	26.2
69.07072	1.5
71.06908	1.4
74.99840	0.6
77.00172	0.7
77.99950	1.4
79.05491	30.4
79.82582	0.7
81.03423	8.5
81.07056	36.5
86.00681	3.1
86.50625	1.4
87.00475	4.2
91.05476	8.3
94.04181	1.9
94.07832	0.8
95.04955	0.7
107.04934	0.7
107.08602	1.1
109.02883	2.0
109.06516	100.0
109.10156	17.2
110.06062	1.2
110.06870	0.6
111.96875	1.2
112.96668	0.7
113.96398	1.5
129.97955	0.7
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
53.03948	8.4
55.05509	10.2
55.30965	0.9
65.03933	3.2
67.05505	100.0
68.05882	1.1
69.07059	4.4
69.61958	5.9
77.99928	2.3
79.05493	12.0
80.06234	1.2
81.03422	9.7
81.07056	42.8
86.00709	3.1
86.50620	1.3
87.00462	10.8
91.05479	2.2
94.04168	1.1
94.07792	1.4
96.01009	1.4
98.20757	1.9
98.51229	2.4
107.08571	2.8
109.02883	3.0
109.06518	11.6
109.07662	2.5
109.10156	63.7
110.06068	2.6
110.06910	0.9
111.96873	1.8
113.96397	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	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
51.19494	0.2
54.39550	0.2
58.05229	0.2
58.06598	3.2
59.07390	1.0
60.08165	33.8
69.03442	0.3
70.54530	0.2
70.54874	0.5
87.04470	0.7
104.10744	100.0
112.79543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02375	2.4
53.03949	12.9
61.20907	0.6
67.12104	0.7
70.97947	1.5
77.03934	3.9
79.05498	43.7
95.04980	11.5
103.05471	28.7
105.03389	1.7
105.04557	6.0
105.07037	100.0
105.11089	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.56285	0.9
53.03935	2.3
53.93198	0.7
55.01869	1.0
59.98742	0.8
60.67930	0.8
62.99084	0.8
65.03943	11.5
67.05488	2.7
68.60581	0.7
70.93760	1.9
79.05497	20.8
91.05486	100.0
92.06287	2.3
95.04955	2.4
105.07038	35.4
106.04215	1.2
107.04958	12.4
107.08597	59.9
108.08936	1.1
109.06519	13.9
119.06072	12.6
124.05165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01615	1.0
51.02380	2.5
53.03949	17.3
55.27047	0.9
56.96302	1.9
56.96568	27.0
56.96849	1.6
57.03426	2.6
58.50537	3.1
58.96159	1.3
59.06123	0.9
59.50355	1.0
60.04540	1.2
60.08172	1.7
60.95854	1.2
64.55885	0.9
67.51070	5.3
68.01225	1.5
68.50853	1.2
70.01315	2.2
70.51498	1.1
71.01369	4.4
71.49842	1.5
76.51580	2.6
76.73481	0.9
77.03934	5.0
79.01855	5.6
79.52032	4.0
80.01655	1.2
81.03415	2.2
84.19783	0.8
85.02902	6.2
86.03242	1.3
88.02375	1.4
89.32088	1.1
95.04968	18.5
102.04687	3.6
103.03992	8.2
103.05470	100.0
104.10763	7.1
105.04515	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15703	0.2
58.06596	2.7
59.07379	0.9
60.08163	34.2
70.75874	0.5
70.76233	0.4
76.96783	0.2
84.79862	0.2
87.04455	0.2
100.02499	0.3
104.10740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	18.0
56.96568	100.0
57.03439	11.5
58.34131	1.4
58.50554	12.5
60.04527	7.0
60.95860	1.8
61.02922	7.0
67.03337	1.5
67.51075	26.4
70.01327	10.4
71.01363	14.9
71.55129	2.1
72.70499	1.8
74.02446	16.8
74.06082	13.1
76.51588	10.9
79.01862	51.6
79.52037	1.4
83.68365	1.5
84.04510	11.1
84.08124	4.8
85.02911	69.5
88.02384	21.2
88.52563	1.7
90.52614	2.1
102.04694	29.7
102.05545	23.7
102.09196	18.4
102.12835	2.0
103.05473	17.3
108.75803	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34223	0.2
70.46238	0.7
71.01343	0.5
71.08630	0.4
77.03939	0.4
79.05486	4.7
81.03419	0.5
81.07050	20.9
83.08144	0.4
83.08614	5.8
83.09112	0.3
85.02901	5.9
85.10156	0.2
86.52789	0.2
91.05472	4.6
93.07036	10.5
95.01345	0.3
95.04962	0.7
95.08599	37.0
96.08959	0.2
97.02892	0.7
97.10165	2.8
99.08148	0.2
101.88544	0.2
103.05492	0.2
105.06296	0.3
105.07018	7.8
107.08584	18.2
108.08879	0.3
109.06531	1.0
109.10146	15.7
111.00811	0.5
111.04485	0.2
111.08084	0.4
111.11724	1.0
113.02358	0.7
115.05415	0.4
117.07018	1.2
117.07766	0.2
119.08574	15.4
120.08958	0.2
121.10136	17.2
123.08082	0.4
123.11697	11.7
125.06010	0.2
125.09620	0.4
125.13279	0.3
127.03918	0.3
128.06181	0.5
128.60907	0.2
129.01830	3.8
129.06993	1.4
130.07800	0.2
131.03423	0.4
131.08556	8.2
133.06487	0.3
133.10120	9.5
134.16176	0.2
135.08096	0.2
135.11684	13.3
137.05989	0.2
137.13245	13.6
139.00275	0.9
139.07483	0.3
141.01799	1.2
142.07718	0.4
143.08553	4.5
145.04982	0.4
145.10118	7.6
147.02876	1.3
147.08075	0.3
147.11676	6.3
149.06036	0.3
149.13249	15.0
151.07556	0.6
151.11177	0.2
151.14821	3.2
153.09064	1.2
155.08612	0.6
156.09370	0.2
157.01326	1.0
157.08952	0.3
157.10139	3.8
158.10954	0.4
159.02859	0.5
159.11679	6.3
161.09650	0.6
161.13243	6.3
162.07649	0.3
163.03958	0.2
163.07527	1.0
163.11209	0.5
163.13446	0.2
163.14812	3.9
165.08983	0.2
165.16426	0.5
167.10616	0.3
169.10100	1.2
170.10970	0.4
171.11665	4.2
173.13251	10.2
175.02412	0.8
175.07524	0.3
175.11293	0.3
175.14813	5.8
177.09090	1.5
177.12857	0.3
177.16379	13.1
179.10651	0.5
179.14339	0.5
179.17953	0.7
180.08719	0.7
182.10957	0.2
183.11670	1.5
184.12437	0.3
185.13246	10.3
187.14816	5.2
189.05519	0.3
189.09164	0.6
189.12741	0.5
189.16365	7.1
191.10683	0.4
191.14346	1.9
191.17934	22.9
192.18373	0.3
193.12332	0.3
193.15916	0.4
193.19603	0.4
197.13228	1.2
199.14804	7.9
201.16362	14.8
203.10677	0.3
203.14296	5.2
203.17934	8.3
205.12206	0.6
205.15971	1.5
205.19495	9.4
207.13824	1.0
207.21071	2.3
209.13368	0.3
211.14848	1.5
213.16362	13.9
215.14391	0.6
215.17941	3.5
217.12280	1.5
217.15878	2.2
217.19469	2.8
219.13887	0.9
219.17384	1.5
219.21011	1.1
221.15425	0.8
223.14859	0.4
225.16411	1.4
227.14471	0.4
227.17924	2.6
229.15840	0.9
229.19406	1.3
231.13820	1.8
231.17406	2.3
231.21117	0.5
233.15359	0.9
235.16914	0.5
237.14813	0.6
239.17949	2.7
241.19496	7.0
243.11577	0.2
243.13727	1.0
243.21011	1.1
245.15359	4.9
245.22668	0.4
247.16917	6.5
249.14832	8.1
249.18634	0.3
251.16464	0.8
253.19472	2.8
255.21057	2.5
257.15393	2.4
257.19058	0.4
257.22604	0.5
259.16922	8.6
259.20557	0.8
261.14996	0.5
261.18497	0.8
263.16376	2.9
265.18042	0.3
267.21088	2.1
269.22617	1.2
271.16888	2.3
271.20068	0.3
273.18448	1.9
273.21490	0.3
275.16403	0.2
277.17975	2.0
281.22635	0.6
283.24210	0.3
285.18524	5.7
285.22046	0.5
287.20032	6.0
293.22736	0.4
295.24170	0.7
299.20044	4.6
299.23300	0.4
301.21552	1.4
305.21146	0.8
307.24161	0.3
313.21579	2.0
315.23270	0.4
319.22717	0.6
321.25702	0.5
325.21851	0.3
327.23111	0.6
331.22668	0.5
332.80319	0.2
333.04562	1.1
335.27353	0.5
337.28555	0.4
339.23163	0.2
341.24692	0.3
349.28970	0.5
351.05548	7.3
353.24609	0.5
359.25763	0.3
367.26328	0.7
368.08200	0.3
381.27625	0.6
389.26218	0.3
391.33551	10.4
392.33926	0.3
393.35098	2.7
395.29434	1.5
409.34619	4.7
419.33075	1.4
427.35800	0.2
437.34125	100.0
438.34479	2.9
455.35165	41.2
456.35461	1.1
545.36438	0.2
599.39441	0.3
604.04004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50977	0.2
70.52690	0.8
71.08640	0.5
71.23921	0.2
73.02923	0.4
79.05487	5.2
79.05913	0.5
81.03397	0.6
81.07053	21.8
83.04973	0.4
83.08616	5.5
85.02904	4.8
91.05474	5.0
93.07043	10.8
95.01353	0.5
95.04982	0.5
95.08604	36.3
96.08936	0.6
97.02886	1.0
97.06515	0.3
97.10162	3.0
103.03963	0.5
103.05490	0.4
105.07023	8.3
107.04994	0.3
107.08589	19.1
109.02873	0.3
109.06503	0.7
109.10152	16.7
111.00804	0.7
111.04365	0.2
111.11732	1.5
113.02390	1.3
115.05462	0.5
117.07041	1.1
119.08578	15.8
121.10138	17.5
123.08093	0.3
123.11703	11.3
125.06035	0.6
125.56091	0.3
127.03911	0.7
128.06219	0.5
129.01833	4.6
129.07007	1.6
130.07770	0.4
131.03407	0.7
131.08566	8.1
133.06509	0.3
133.10133	11.2
135.11685	13.0
135.12723	0.6
137.05992	0.4
137.13248	12.6
139.00252	1.2
139.07570	0.3
141.01816	2.3
142.07803	0.5
143.08556	4.1
144.09430	0.6
145.02876	0.3
145.04948	0.6
145.06441	0.3
145.10120	9.1
147.02884	1.3
147.07997	0.4
147.11684	6.3
147.12813	0.5
149.09576	0.3
149.13255	15.9
151.07547	0.4
151.14815	3.4
153.09119	1.2
155.08580	0.7
156.09389	0.5
157.01311	1.3
157.10110	4.0
159.02890	1.7
159.08136	0.4
159.11681	6.6
161.09657	0.4
161.13240	6.3
162.07616	0.3
163.03894	0.6
163.07559	0.7
163.11165	0.4
163.14816	4.3
165.09055	0.4
167.07037	0.4
167.08492	0.3
169.10175	1.5
170.10866	0.4
171.11678	4.3
173.09695	0.3
173.13260	10.2
175.02414	0.8
175.07509	0.5
175.14812	6.7
177.03987	1.2
177.05353	0.3
177.09070	1.8
177.12814	0.4
177.16380	12.0
179.10797	0.3
179.17935	0.7
180.08713	0.8
183.11673	1.8
184.12518	0.4
185.13255	10.5
185.14871	0.6
187.11249	0.4
187.14799	5.9
189.05457	0.6
189.09184	0.6
189.12859	0.4
189.16379	7.8
191.14394	1.9
191.17941	24.1
192.18375	0.5
193.03516	0.4
193.19569	0.4
195.11662	0.2
197.13312	1.6
199.11040	0.4
199.14807	6.8
199.16591	0.4
200.15253	0.3
201.16370	15.3
202.16685	0.4
203.14308	4.1
203.17950	9.1
205.12244	0.4
205.15886	1.7
205.19504	7.5
207.13792	0.9
207.17500	0.3
207.21030	1.9
209.13382	0.4
211.14787	1.5
213.13075	0.5
213.16359	14.5
215.14488	0.4
215.17972	2.9
217.12309	1.5
217.15926	2.1
217.19492	2.3
219.13889	0.6
219.17487	1.8
219.20995	1.3
221.15398	0.7
225.16396	1.4
227.14449	0.4
227.17961	3.1
229.15897	0.6
229.19429	1.6
231.13858	2.1
231.17430	2.2
231.21132	0.6
233.15388	1.2
235.16817	0.3
239.17906	2.7
241.15822	0.4
241.19499	7.9
243.13817	1.4
243.17265	0.4
243.21040	1.6
245.15393	4.0
247.16911	6.8
247.19444	0.3
249.14865	7.7
249.18391	0.6
251.16399	0.7
253.19508	3.0
255.21082	2.0
257.15387	2.2
257.22690	0.7
259.16937	9.1
259.20609	1.0
261.18460	0.8
263.16385	2.1
267.20972	1.8
269.22714	1.3
271.16901	1.6
271.20786	0.4
273.18530	2.3
273.21521	0.3
273.22409	0.3
275.20184	0.4
277.18073	1.7
281.22598	0.5
285.12250	0.4
285.18515	5.0
285.21829	0.3
287.04037	0.5
287.20062	5.9
293.22583	0.3
295.24237	1.2
298.79089	0.3
299.20047	4.3
301.21625	1.3
305.05063	1.7
305.21277	0.4
309.25735	0.4
313.21509	1.9
315.23248	0.4
321.25885	0.5
325.21393	0.4
327.23111	0.8
333.04581	0.8
335.27255	0.9
339.23254	0.5
341.24966	0.4
349.23474	0.3
349.28906	0.6
351.05609	4.6
353.24594	0.4
367.26480	0.6
368.08105	0.5
381.27576	0.6
391.33575	10.8
392.33694	0.4
393.35168	2.9
395.29538	1.1
409.34698	4.8
411.35995	0.3
419.33124	1.4
437.34146	100.0
438.34573	2.8
455.35190	39.0
456.35706	1.1
484.70929	0.3
599.39026	0.4
617.39581	0.3
924.08685	0.3
END